Experimental Data to the publication "Understanding Structure-Activity Relationships: Iron(II) Complexes of “Legacy Guanidines” as Catalysts for the Synthesis of Polylactide"

2026-03-15T01:53:27Zhttps://www.radar-service.eu/oai/OAIHandler

10.22000/16252023-11-15T14:36:19Zradar4chem

10.22000/1625 10.1039/D3CY01117H Conrads, Christian Christian Conrads 0000-0001-9606-8306 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Burkart, Lisa Lisa Burkart RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Soerensen, Sven Sven Soerensen RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Noichl, Sandra Sandra Noichl RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Kara, Yasemin Yasemin Kara RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Heck, Joshua Joshua Heck 0000-0001-8895-1289 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Experimental Data to the publication "Understanding Structure-Activity Relationships: Iron(II) Complexes of “Legacy Guanidines” as Catalysts for the Synthesis of Polylactide" NMR spectroscopic data, GPC data, DSC data and Raman spectroscopic data for the ring-opening polymerisation of lactide and depolymerisation of polylactide of a series of non toxic Fe catalyst were deposited. NMR spectroscopy lactide polymerisation depolymerisation of polylactide Raman spectroscopy MALDI-TOF-MS spectra RWTH Aachen University 2021-2023 2023 eng Chemistry Materials Science NMR, GPC, DSC and Raman spectroscopic experimental data and MALDI-TOF-MS spectra Bruker Avance II (400MHz) Bruker Avance III (400MHz) Bruker Avance Neo (400MHz) GPCmax VE-2001 from Viscotek: two Malvern Viscotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 and 5000Å, a refractive index detector (VE-3580), and a viscometer (Viscotek 270 Dual Detector) Netzsch DSC 204 F1 Phoenix equipped with an intra-cooler RXN1 spectrometer of Kaiser Optical System with a 785nm laser Bruker ultrafleXtreme equipped with a 337 nm smart beam laser in the reflective mode was used. The protein mixture Protein 1 calibration standard was used for calibration. For the spectra, 4000 laser shots with 24% laser power were collected. The laser repetition rate was 1000 Hz. TopSpin TopSpin TopSpin Omnisec Proteus iC Raman MestReNova PEAXACT CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University European Commission 501100000780 H2020: 953073 https://cordis.europa.eu/project/id/953073 sUstainable PLastIcs for the Food and drink packaging indusTry (UPLIFT)

10.22000/6132023-11-15T14:36:19Zradar4chem

10.22000/613 10.1039/d2sc02910c Heck, Joshua Joshua Heck 0000-0001-8895-1289 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Metz, Fabian Fabian Metz Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Buchenau, Sören Sören Buchenau 0000-0001-6324-8386 b. Institute of Nanostructure and Solid State Physics, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany Teubner, Melissa Melissa Teubner Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany and b. Institute of Nanostructure and Solid State Physics, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany Grimm-Lebsanft, Benjamin Benjamin Grimm-Lebsanft 0000-0002-4070-3531 b. Institute of Nanostructure and Solid State Physics, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany Spaniol, Thomas Paul Thomas Paul Spaniol 0000-0001-9761-1366 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Rübhausen, Michael Michael Rübhausen 0000-0003-3868-392X b. Institute of Nanostructure and Solid State Physics, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany DFT Optimised coordinates to the publication "Manipulating Electron Transfer − The Influence of Substituents on Novel Copper Guanidine Quinoline Complexes" The manuscript deals with the influence of different substituents of guanidine quinoline ligands on the electron transfer properties of the corresponding Cu(I) and Cu(II) complexes. The complexes were characterized with various methods but for further explanations of the substituents’ influences DFT calculations were essential. Correlations between the experimental and theoretical results revealed a deeper understanding of the properties of the copper complexes depending on the ligands’ substituents. DFT optimised coordinates of six TMG guanidine ligands, five Cu(I) TMG guanidine complexes and five Cu(II) TMG guanidine complexes were deposited. Density functional theory (DFT) calculations were performed with Gaussian 16 using the default UltraFine grid. The geometry optimizations were started from the geometry of the solid-state structures if available using the TPSSh functional and with the Ahlrichs type basis set def2-TZVP as implemented in Gaussian 16. As solvent model, the Polarizable Continuum Model (PCM) was used as implemented in Gaussian 16. As empirical dispersion correction, the D3 dispersion with Becke–Johnson damping was used as implemented in Gaussian 16. RWTH Aachen University 2020-2022 2022 eng Chemistry Physics DFT optimised coordinates Gaussian 16 GaussView GaussView CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 413524714 https://gepris.dfg.de/gepris/projekt/413524714 Kontrolle des entatischen Zustands durch die gezielte optische Anregung der Ligandensphäre Bundesministerium für Bildung und Forschung 501100002347 05K19GU5 https://foerderportal.bund.de/foekat/jsp/SucheAction.do?actionMode=view&fkz=05K19GU5 Neue physikalische Methoden zur Untersuchung physikalisch-chemischer Prozesse auf atomarer und molekularer Ebene mit einer Zeitauflösung von 100ps

10.22000/8722023-11-15T14:36:19Zradar4chem

10.22000/872 10.1002/ceat.202300031 Laurini, Larissa Larissa Laurini RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Béteille, Arthur Arthur Béteille Laboratoire de Génie Chimique, Université de Toulouse, CNRS, INPT, UPS, Toulouse, France Fink, Gerhard Gerhard Fink RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Loubière, Karine Karine Loubière Laboratoire de Génie Chimique, Université de Toulouse, CNRS, INPT, UPS, Toulouse, France and Fédération de Recherche FERMAT, CNRS, Toulouse, France Experimental Data to the publication "Reactive Mass Transfer around Isolated Bubbles Rising in a Thin-Gap Cell" DOSY NMR spectroscopic data and time-series of grey-level images at 100 Hz (exposure time 0.8-4ms) of a 16-bit sCMOS PCO Edge 2560×2160 px camera were deposited. DOSY NMR spectroscopy time series of images RWTH Aachen University Université de Toulouse Fédération de Recherche FERMAT, CNRS, Toulouse 2021-2022 2023 eng Chemistry Engineering DOSY NMR spectroscopic data and time series of images Bruker Avcance II (400 MHz) TOPSPIN TOPSPIN Dynamics-Center MATLAB CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University, Germany Université de Toulouse, France Fédération de Recherche FERMAT, CNRS, Toulouse, France

10.22000/8902023-11-15T14:36:19Zradar4chem

10.22000/890 10.1002/asia.202201195 Burkart, Lisa Lisa Burkart RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Eith, Alexander Alexander Eith RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Experimental Data to the publication "Open Loop Recycling – Guanidine Iron(II) Polymerization Catalyst for the Depolymerization of Polylactide" An iron guanide complex was evaluated for its depolymerisation activity of polylactide (alcoholysis and aminolysis). Catalyst recycling, scale-up experiments and solvent-free alcoholysis were also studied. Polylactide, Depolymerisation, Guanidine complexes RWTH Aachen University 2022 2023 eng Chemistry Materials Science All NMR spectroscopic data and the determination of kinetic and thermodynamic parameters were deposited. Bruker Avance II (400 MHz) Bruker Avance III (400 MHz) OriginPro TOPSPIN TOPSPIN MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University European Commission 501100000780 H2020: 953073 https://cordis.europa.eu/project/id/953073 sUstainable PLastIcs for the Food and drink packaging indusTry (UPLIFT)

10.22000/9232023-11-15T14:36:19Zradar4chem

10.22000/923 10.1002/cssc.202300779 Fuchs, Martin Martin Fuchs RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Schäfer, Pascal M. Pascal M. Schäfer RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Wagner, Wolf Wolf Wagner RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Krumm, Ian Ian Krumm RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Walbeck, Marcel Marcel Walbeck RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Dietrich, Regina Regina Dietrich RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Experimental Data to the publication "A Multitool for Circular Economy – Fast Ring-Opening Polymerization and Chemical Recycling of (Bio)polyesters Using a Single Aliphatic Guanidine Carboxy Zinc Catalyst" All NMR spectroscopic data, GPC data and Raman spectroscopic data for the ring opening polymerisation of lactide of a non toxic Zn catalyst were deposited. Furthermore, the NMR spectroscopic data for the depolymerisation of various polymers with the Zn complex were depostied. NMR spectroscopy lactide polymerisation Depolymerisation Raman spectroscopy RWTH Aachen University 2023 2023 eng Chemistry Materials Science NMR, GPC and Raman spectrosocpic experimental data Bruker Avance II (400MHz) Bruker Avance III (400MHz) GPCmax VE-2001 from Viscotek: two Malvern Viscotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 and 5000Å, a refractive index detector (VE-3580), and a viscometer (Viscotek 270 Dual Detector) RXN1 spectrometer of Kaiser Optical System with a 785nm laser TOPSPIN iC Raman TOPSPIN PEAXACT Omnisec MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University European Commission 501100000780 H2020: 953073 https://cordis.europa.eu/project/id/953073 sUstainable PLastIcs for the Food and drink packaging indusTry (UPLIFT))

10.22000/9522023-11-15T14:36:19Zradar4chem

10.22000/952 10.1002/cssc.202300779 Fuchs, Martin Martin Fuchs RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Schäfer, Pascal M. Pascal M. Schäfer RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Wagner, Wolf Wolf Wagner RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Krumm, Ian Ian Krumm RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Walbeck, Marcel Marcel Walbeck RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Dietrich, Regina Regina Dietrich RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Experimental Data to the publication "A Multitool for Circular Economy – Fast Ring-Opening Polymerization and Chemical Recycling of (Bio)polyesters Using a Single Aliphatic Guanidine Carboxy Zinc Catalyst" - part II Further NMR spectroscopic data, GPC data and Raman spectroscopic data for the ring opening polymerisation of lactide of a non toxic Zn catalyst were deposited. NMR spectroscopy lactide polymerisation Raman spectroscopy RWTH Aachen University 2023 2023 eng Chemistry Materials Science NMR, GPC and Raman spectrosocpic experimental data Bruker Avance II (400MHz) Bruker Avance III (400MHz) GPCmax VE-2001 from Viscotek: two Malvern Viscotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 and 5000Å, a refractive index detector (VE-3580), and a viscometer (Viscotek 270 Dual Detector) RXN1 spectrometer of Kaiser Optical System with a 785nm laser TOPSPIN iC Raman TOPSPIN PEAXACT Omnisec MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University European Commission 501100000780 H2020: 953073 https://cordis.europa.eu/project/id/953073 sUstainable PLastIcs for the Food and drink packaging indusTry (UPLIFT))

10.22000/5792023-11-15T14:36:20Zradar4chem

10.22000/579 10.1002/adsu.202200359 Conen, Niclas Niclas Conen RWTH Aachen University, Fluid Process Engineering (AVT.FVT), Forckenbeckstraße 51, 52074 Aachen (Germany) Fuchs, Martin Martin Fuchs RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen (Germany) Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen (Germany) Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen (Germany) Jupke, Andreas Andreas Jupke 0000-0001-6551-5695 RWTH Aachen University, Fluid Process Engineering (AVT.FVT), Forckenbeckstraße 51, 52074 Aachen (Germany) Experimental data to the publication "Taking the next step – Model-based analysis of robust and non-toxic Zn catalysts for the ring opening polymerization of lactide in the polymer melt" The coordination geometries of the hypersurface, all NMR spectroscopic data, all GPC data and Raman spectroscopic data were deposited for a model-based analysis of robust and non-toxic Zn catalysts for the ring opening polymerization of lactide in the polymer melt. NMR spectroscopy raman spectroscopy gel permeation chromatography lactide polymerisation RWTH Aachen University 2021-2022 2022 eng Chemistry Engineering NMR, GPC and Raman experimental data GERMANY Aachen Bruker Avance II (400MHz) Bruker Avance III (400MHz) GPCmax VE-2001 from Viscotek: two Malvern Viscotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 and 5000Å, a refractive index detector (VE-3580), and a viscometer (Viscotek 270 Dual Detector) RXN1 spectrometer of Kaiser Optical System with a 785nm laser TOPSPIN iC Raman PEAXACT Omnisec MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 G:(DE-82)EXS-PF-PFKA007 under German Excellence Initiative

10.22000/5932023-11-15T14:36:20Zradar4chem

10.22000/593 10.1002/jcc.26927 Raßpe-Lange, Lukas Lukas Raßpe-Lange Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstr. 8, 52062 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Gertig, Christoph Christoph Gertig Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstr. 8, 52062 Aachen, Germany Heck, Joshua Joshua Heck 0000-0001-8895-1289 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Leonhard, Kai Kai Leonhard 0000-0001-6231-6957 Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstr. 8, 52062 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Experimental data and optimised coordinates to the publication Geometrical Benchmarking and Analysis of Redox Potentials of Copper(I/II) Guanidine-Quinoline Complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (Part III) Experimental and DFT optimised coordinates were deposited. density functional theory RWTH Aachen University 2021-2022 2022 eng Chemistry Engineering Experimental and DFT optimised coordinates Orca Gaussian 16 GaussView Avogadro CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 ID: 390919832 under Germany’s Excellence Strategy – Cluster of Excellence 2186 ,,The Fuel Science Center’’ RWTH Aachen University 501100007210 G:(DE-82)ZUK2-SF-CLS003 ERS funds Deutsche Forschungsgemeinschaft 501100001659 413524714 Kontrolle des entatischen Zustands durch die gezielte optische Anregung der Ligandensphäre

10.22000/6932023-11-15T14:36:20Zradar4chem

10.22000/693 10.1002/cssc.202201075 Hermann, Alina Alina Hermann Institute of Inorganic Chemistry RWTH Aachen University Landoltweg 1a, 52074 Aachen (Germany) Becker, Tabea Tabea Becker Institute of Inorganic Chemistry RWTH Aachen University Landoltweg 1a, 52074 Aachen (Germany) Schäfer, Martin A. Martin A. Schäfer Institute of Inorganic Chemistry RWTH Aachen University Landoltweg 1a, 52074 Aachen (Germany) Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 Institute of Inorganic Chemistry RWTH Aachen University Landoltweg 1a, 52074 Aachen (Germany) Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 Institute of Inorganic Chemistry RWTH Aachen University Landoltweg 1a, 52074 Aachen (Germany) Experimental MALDI-ToF-MS data to the publication "Effective Ligand Design: Zinc Complexes with Guanidine Hydroquinoline Ligands for Fast Lactide Polymerization and Chemical Recycling" In this manuscript the synthesis of two new guanidine hydroquinoline ligands and six new zinc complexes were described. The activity of these complexes in lactide polymerization under industrial conditions is evaluated. Further, the depolymerisation is tested. The experimental MALDI-ToF-MS data were deposited here whereas other spectroscopic data (NMR and IR spectra) are deposited in the chemotion repository. RWTH Aachen University 2021-2022 2022 eng Chemistry Materials Science MALDI-ToF-MS spectra Bruker ultrafleXtreme Bruker ultrafleXtreme equipped with a 337 nm smart beam laser in the reflective mode. THF solutions of trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile (DCTB) (5 μL of a 20 mg/mL solution), sodium trifluoroacetate (0.1 μL of a 10 mg/mL solution), and analyte (5 μL of a 10 mg/mL) were mixed and a droplet thereof applied on the sample target. Protein 1 calibration standard is the name of the protein mixture used for calibration. For spectra 4000 laser shots with 24% laser power were collected. The laser repetition rate was 1000 Hz. Polymerix OriginPro 2021b SR2 9.8.5.212 CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Bioeconomy Science Center (BioSC) R2HPBio https://www.biosc.de/R2HPBIO Renewables to high-performance bioplastics by sustainable production ways European Commission 501100000780 953073 https://cordis.europa.eu/project/id/953073 sUstainable PLastIcs for the Food and drink packaging indusTry

10.22000/8082023-11-15T14:36:20Zradar4chem

10.22000/808 10.1002/adsu.202200359 Conen, Niclas Niclas Conen RWTH Aachen University, Fluid Process Engineering (AVT.FVT), Forckenbeckstraße 51, 52074 Aachen (Germany) Fuchs, Martin Martin Fuchs RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen (Germany) Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen (Germany) Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen (Germany) Jupke, Andreas Andreas Jupke 0000-0001-6551-5695 RWTH Aachen University, Fluid Process Engineering (AVT.FVT), Forckenbeckstraße 51, 52074 Aachen (Germany) Experimental data to the publication "Taking the next step – Model-based analysis of robust and non-toxic Zn catalysts for the ring opening polymerization of lactide in the polymer melt" - Part 2 Further NMR spectroscopic data were deposited for a model-based analysis of robust and non-toxic Zn catalysts for the ring opening polymerization of lactide in the polymer melt. NMR spectroscopy RWTH Aachen University 2022 2022 eng Chemistry Engineering NMR spectroscopic experimental data GERMANY Aachen Bruker Avance II (400MHz) Bruker Avance III (400MHz) TOPSPIN MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 G:(DE-82)EXS-PF-PFKA007 under German Excellence Initiative

10.22000/11062023-11-15T14:36:21Zradar4chem

10.22000/1106 Hombach, Lea Lea Hombach Max Planck Institute for Chemical Energy Conversion Carbon Supported Polyoxometalates as Recyclable Solid Acid Catalysts in Aqueous Reactions Beine, Anna Katharina 2023 2023 Chemistry CC0 1.0 Universal Public Domain Dedication Hombach, Lea Beine, Anna Katharina

10.22000/11052023-11-15T14:36:22Zradar4chem

10.22000/1105 Heinke, Lars Lars Heinke 0000-0002-1439-9695 KIT Repository-data____Radar4Chem__for-DOI_10.1002-adfm.202211880.zip Heinke, Lars 2023 2023 Chemistry CC BY-NC 4.0 Attribution-NonCommercial Heinke, Lars

10.22000/17522023-11-15T14:36:22Zradar4chem

10.22000/1752 Bräse, Stefan Stefan Bräse 0000-0003-4845-3191 Karlsruhe Institute of Technology Jung, Nicole Nicole Jung 0000-0001-9513-2468 Huang, Pei-Chi Pei-Chi Huang 0000-0002-9976-4507 Lin, Chia-Lin Chia-Lin Lin 0000-0002-9772-0455 Chemotion Repository - Data collection: mass spectrometry data This collection contains mass spectrometry data that were collected in the research data repository Chemotion from 2019-2023. The scientists who contributed to this collection are given as additional information (-> Other) to this dataset. The dataset was collected to enable the systematic re-use of the mass spectrometry data in Chemotion repository. The dataset was gained as a subset of information from Chemotion repository after (1) filtering for mass spectrometry data with a precision of 0.001 Da, and (2) removal of duplicates The collection was gained from contributions of the following scientists: Alexander B. Braun, André Jung, Angela Wandler, Arnaud Westeel, Chloé Liagre, Christoph Zippel, Cornelia Mattern, Daniel Knoll, Danny Wagner, Eduard Spuling, Florian Mohr, Georg Manolikakes, Hannes Kühner, Harald Kelm, Helena Šimek, Ilga Kristine Krimmelbein, Irina Protasova, Isabelle Wessely, Jana Barylko, Janina Beck, Jasmin Busch, Jérôme Klein, Jérôme Wagner, Julian Brückel, Ksenia Kutonova, Laura Holzhauer, Lisa Schmidt, Lukas Langer, Lutz-F. Tietze, Martin Nieger, Mirja Dinkel, Miro Hałaczkiewicz, Nicolai Rosenbaum, Nicolai Wippert, Nicole Jung, Niklas Krappel, Olaf Fuhr, Patrick Hodapp, Simon Oßwald, Simone Gräßle, Stefan Bräse, Susanne Moser, Sylvain Grosjean, Sylvia Vanderheiden-Schroen, Thomas Hurrle, Victor Larignon, Vikas Aggarwal, Yannick Matt, Yichuan Wang, Zhen Zhang The provided zip folder includes 599 datasets including at least one *.jdx file each and one metadata file "msei_final" with metadata describing the 599 datasets The metadata file "msei_final" contains the following metadata per dataset: sample_id, molfile, ontology term, analysis_id, instruments, authors, content, molfile_id mass spectrometry analytical chemistry Chemotion repository Karlsruhe Institute of Technology (KIT) 2019-2023 2023 Chemistry Collection of measurement data - mass spectrometry data Chemotion Repository Chemotion Repository ChemSpectra CC BY-SA 4.0 Attribution-ShareAlike Karlsruhe Institute of Technology (KIT) https://chemotion-repository.net/ German Research Foundation (DFG) VR 2030 441958208 NFDI4Chem Ministry of Science, Research and Arts Baden-Württemberg MWK BW Science Data Center MoMaF

10.22000/17532023-11-15T14:36:22Zradar4chem

10.22000/1753 10.26434/chemrxiv-2023-95s19 10.14272/UVLHGRADYISRGZ-UHFFFAOYSA-N.5 Herrmann, David David Herrmann 0009-0008-1636-0875 Karlsruhe Institute of Technology Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry (IPB) Bizzarri, Claudia Claudia Bizzarri 0000-0002-4077-2553 Karlsruhe Institute of Technology Jung, Nicole Nicole Jung 0000-0001-9513-2468 Karlsruhe Institute of Technology Bräse, Stefan Stefan Bräse 0000-0003-4845-3191 Karlsruhe Institute of Technology Analytical data: cyclic voltammetry - Draft v.1.0 Cyclic voltammetry experiment of the complex [Cu(TMGqu)2]PF6, previously reported by Stanek at al. 2017. This dataset and its description are published as a first draft to enable a discussion about how to report on cyclic voltammetry data - it refers to the preprint: https://doi.org/10.26434/chemrxiv-2023-95s19. Cyclic Voltammetry Electrochemistry Electronic Lab Notebook David Herrmann, KIT 2023 2023 eng Chemistry Materials Science Collection Chemotion ELN CC0 1.0 Universal Public Domain Dedication Herrmann, David German Research Foundation (DFG) VR 2030 441958208 National Research Data Infrastructure for Chemistry (NFDI4Chem)

10.22000/6802023-11-15T14:36:23Zradar4chem

10.22000/680 10.1039/d2cp02700c 2208.08185 Petrunin, Alexander V. Alexander V. Petrunin 0000-0002-9140-7222 RWTH Aachen University, Institute of Physical Chemistry Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University, Institute of Physical Chemistry Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University, Institute of Physical Chemistry Scotti, Andrea Andrea Scotti 0000-0002-8988-330X RWTH Aachen University, Institute of Physical Chemistry Analytical data belonging to the publication "Harnessing the polymer-particle duality of ultra-soft nanogels to stabilise smart emulsions" Micro- and nanogels are widely used to stabilise emulsions and simultaneously implement their responsiveness to the external stimuli. One of the factors that improves the emulsion stability is the nanogel softness. Here, we study how the softest nanogels that can be synthesised with precipitation polymerisation of N-isopropylacrylamide (NIPAM), the ultra-low crosslinked (ULC) nanogels, stabilise oil-in-water emulsions. We show that ULC nanogels can efficiently stabilise emulsions already at low mass concentrations. These emulsions are resistant to droplet flocculation, stable against coalescence, and can be easily broken upon an increase in temperature. The resistance to flocculation of the ULC-stabilised emulsion droplets is similar to the one of emulsions stabilised by linear pNIPAM. In contrast, the stability against coalescence and the temperature-responsiveness closely resemble the one of emulsions stabilised by regularly crosslinked pNIPAM nanogels. The reason for this combination of properties is that ULC nanogels can be thought of as colloids in between flexible macromolecules and particles. As a polymer, ULC nanogels can efficiently stretch at the interface and cover it uniformly. As a regularly crosslinked nanogel particle, ULC nanogels protect emulsion droplets against coalescence by providing a steric barrier and rapidly respond to changes in external stimuli thus breaking the emulsion. This polymer-particle duality of ULC nanogels can be exploited to improve the properties of emulsions for various applications, for example in heterogeneous catalysis or in food science. Dynamic Light Scattering (DLS) Inverted Optical Microscopy Viscometry Static Light Scattering (SLS) IPC - RWTH Aachen University 2022 2022 Physics Motic AE2000 (Inverted Optical Microscope) 0.65x, Point Grey Flea 3 (Digital Camera) Nikon Eclipse TE300 (Inverted Optical Microscope) PCO Edge 4.2 (Digital Camera) SLS-Systemtechnik GmbH CC BY 4.0 Attribution Petrunin, Alexander V. Bochenek, Steffen Richerting, Walter Scotti, Andrea RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/6812023-11-15T14:36:23Zradar4chem

10.22000/681 10.1039/D2SM00680D Andrea, Scotti Scotti Andrea 0000-0002-8988-330X RWTH Aachen University, Institute of Physical Chemistry Gasser, Urs Urs Gasser Petrunin, Alexander V. Alexander V. Petrunin 0000-0002-9140-7222 RWTH Aachen University, Institute of Physical Chemistry Fruhner, Lisa Lisa Fruhner 0000-0003-0803-833X Forschungszentrum Jülich, Jülich Centre for Neutron Science Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University, Institute of Physical Chemistry Houston, Judith E. Judith E. Houston 0000-0001-5205-3620 Analytical data belonging to the publication "Experimental determination of the bulk moduli of hollow nanogels as model system for nanocarriers" The softness of an object can be quantified by one of the fundamental elastic moduli. The bulk modulus of the particle is most appropriate in the presence of isotropic compressions. Here, we use small-angle neutron scattering with contrast variation to directly access the bulk modulus of polymeric nanocapsules – pNIPAM-based hollow nanogels. We show that the size of the cavity is the most important quantity that determines the softness of hollow nanogels. During initial compression, the polymer collapses into the cavity and leads to a large change in the particle volume, resulting in a very small initial bulk modulus. Once the cavity is partially occupied by the polymer, the hollow nanogels become significantly stiffer since now the highly crosslinked network has to be compressed. Furthermore, we show that the larger the cavity, the softer the nanogel. small-angle neutron scattering (SANS) IPC - RWTH Aachen University 2022 2022 Physics SANS-I at SINQ, Paul Scherrer Institut (Villigen, Switzerland) CC BY 4.0 Attribution Scotti, Andrea Gasser, Urs Petrunin, Alexander V. Fuhner, Lisa Richtering, Walter Houston, Judith E. Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/6922023-11-15T14:36:23Zradar4chem

10.22000/692 10.1063/5.0119527 10.5291/ILL-DATA.9-10-1631 Nickel, Anne C. Anne C. Nickel 0000-0002-4803-1987 RWTH Aachen University, Institute of Physical Chemistry Denton, Alan R. Alan R. Denton 0000-0002-8710-6662 North Dakota State University Department of Physics Houston, Judith E. Judith E. Houston 0000-0001-5205-3620 Schweins, Ralf Ralf Schweins 0000-0001-8078-2089 Plivelic, Tomàs S. Tomàs S. Plivelic 0000-0003-0193-3251 Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University, Institute of Physical Chemistry Scotti, Andrea Andrea Scotti 0000-0002-8988-330X RWTH Aachen University, Institute of Physical Chemistry Analytical data belonging to the publication "Beyond simple self-healing: How anisotropic nanogels adapt their shape to their environment" Underlying small-angle neutron scattering (SANS) data supporting the journal article titled "Beyond simple self-healing: How anisotropic nanogels adapt their shape to their environment". SANS with contrast variation shows the shape adaptation of ellipsoidal microgels in response to their environment. small-angle neutron scattering (SANS) IPC - RWTH Aachen University 2022 2023 Physics D11 (lowest momentum transfer small-angle diffractometer) (SANS) CC BY 4.0 Attribution Nickel, Anne C. Denton, Alan R. Houston, Judith E. Schweins, Ralf Plivelic, Tomàs S. Richtering, Walter Scotti, Andrea RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/9422023-11-15T14:36:23Zradar4chem

10.22000/942 10.1080/19490976.2023.2256695 Papatheodorou, Panagiotis Panagiotis Papatheodorou 0000-0003-3571-695X Institute of Experimental and Clinical Pharmacology, Toxicology and Pharmacology of Natural Products, Ulm University Medical Center Schumacher, Judith Judith Schumacher Institute of Experimental and Clinical Pharmacology, Toxicology and Pharmacology of Natural Products, Ulm University Medical Center Nienhaus, Astrid Astrid Nienhaus Institute of Experimental and Clinical Pharmacology, Toxicology and Pharmacology of Natural Products, Ulm University Medical Center Heber, Sebastian Sebastian Heber Institute of Experimental and Clinical Pharmacology, Toxicology and Pharmacology of Natural Products, Ulm University Medical Center Chaves-Olarte, Esteban Esteban Chaves-Olarte 0000-0002-4840-2426 Centro de Investigación en Enfermedades Tropicales and Facultad de Microbiología, Universidad de Costa Rica Rodríguez, César César Rodríguez 0000-0001-5599-0652 Centro de Investigación en Enfermedades Tropicales and Facultad de Microbiología, Universidad de Costa Rica Barth, Holger Holger Barth 0000-0002-2706-3402 Institute of Experimental and Clinical Pharmacology, Toxicology and Pharmacology of Natural Products, Ulm University Medical Center Schumacher et al (raw data) Exploring the inhibitory potential of the antiarrhythmic drug amiodarone against Clostridioides difficile toxins TcdA and TcdB Zip file includes all figures of the Schumacher et al. manuscript with PDF files providing the original image data and Excel calculations that were used to generate the figures. The intestinal pathogen Clostridioides difficile is the leading cause of antibiotic-associated diarrhea and pseudomembranous colitis in humans. The symptoms of C. difficile-associated diseases (CDADs) are directly associated with the pathogen’s toxins TcdA and TcdB, which enter host cells and inactivate Rho and/or Ras GTPases by glucosylation. Membrane cholesterol is crucial during the intoxication process of TcdA and TcdB, and likely involved during pore formation of both toxins in endosomal membranes, a key step after cellular uptake for the translocation of the glucosyltransferase domain of both toxins from endosomes into the host cell cytosol. The licensed drug amiodarone, a multichannel blocker commonly used in the treatment of cardiac dysrhythmias, is also capable of inhibiting endosomal acidification and, as shown recently, cholesterol biosynthesis. Thus, we were keen to investigate in vitro with cultured cells and human intestinal organoids, whether amiodarone preincubation protects from TcdA and/or TcdB intoxication. Amiodarone conferred protection against both toxins independently and in combination as well as against toxin variants from the clinically relevant, epidemic C. difficile strain NAP1/027. Further mechanistic studies suggested that amiodarone’s mode-of-inhibition involves also interference with the translocation pore of both toxins. Our study opens the possibility of repurposing the licensed drug amiodarone as a novel pan-variant antitoxin therapeutic in the context of CDADs. Amiodarone Clostridioides difficile infection Toxin inhibitor Drug repurposing Drug repositioning Membrane cholesterol Papatheodorou, Panagiotis 2023 2023 eng Medicine Biochemistry Biology Chemistry Life Science Raw data CC BY 4.0 Attribution Papatheodorou, Panagiotis Schumacher, Judith Barth, Holger PubChem ID of amiodarone Molecular formular of amiodarone Molecular weigth of amiodarone Deutsche Forschungsgemeinschaft 501100001659 Project number 450938962 https://gepris.dfg.de/gepris/projekt/450938962 BA 2087/8-1

10.22000/17212023-11-15T14:36:24Zradar4chem

10.22000/1721 Nevolianis, Thomas Thomas Nevolianis 0000-0003-4478-5842 RWTH Aachen University Ahmed, Raja A. Raja A. Ahmed RWTH Aachen University Hellweg, Arnim Arnim Hellweg 0000-0002-9508-4889 Dassault Systemes Diedenhofen, Michael Michael Diedenhofen 0000-0002-5724-1994 Leonhard, Kai Kai Leonhard 0000-0001-6231-6957 RWTH Aachen University Data belonging to the publication "Blind prediction of toluene/water partition coefficients using COSMO-RS: Results from the SAMPL9 challenge" All optimized molecular geometries produced during this work COSMO-RS RWTH Aachen University 2023 2023 Chemistry Life Science CC BY 4.0 Attribution Nevolianis, Thomas Kai Leonhard Arnim Hellweg Michael Diedenhofen Raja A. Ahmed RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/6032023-11-15T14:36:24Zradar4chem

10.22000/603 21.11102/b0e200f4-d196-44bd-874a-2f5f79d22527 10.1038/s41467-022-31209-3 Scotti, Andrea Andrea Scotti 0000-0002-8988-330X RWTH - Aachen University Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH - Aachen University Analytical data belonging to the publication "In-situ Study of the Impact of Temperature and Architecture on the Interfacial Structure of Thermo-responsive Microgels" The structural characterization of microgels at interfaces is fundamental to understand both their 2D phase behavior and their role as stabilizers that enable emulsions to be broken on demand. However, this characterization is usually limited by available experimental techniques, which do not allow a direct investigation at interfaces. To overcome this difficulty, here we employ neutron reflectometry, which allows us to probe the structure and responsiveness of the microgels in-situ at the air-water interface. We investigate two types of microgels with different cross-link density, thus having different softness and deformability, both below and above their volume phase transition temperature, combining experiments with computer simulations of realistic in silico synthesized microgels. We find that temperature only affects the portion of microgels in water, while the strongest effect of the microgels softness is observed in their ability to protrude into the air. In particular, standard microgels have an apparent contact angle of few degrees, while ultra-low cross-linked microgels form a flat polymeric layer with zero contact angle. Altogether, this study provides an in-depth microscopic description of how different microgel architectures affect their arrangements at interfaces, and will be the foundation for a better understanding of their phase behavior and assembly. Neutron Reflectivity IPC - RWTH Aachen University 2018-2021 2022 Physics CC BY 4.0 Attribution Scotti, Andrea Steffen Bochenek Fabrizio Camerin Emanuela Zaccarelli Armando Maestro Maximilian M. Schmidt Emanuela Zaccarelli Walter Richtering Deutsche Forschungsgemeinschaft (DFG) 0000 0001 2096 9829 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/8042023-11-15T14:36:24Zradar4chem

10.22000/804 10.1021/acs.langmuir.2c03054 Petrunin, Alexander V. Alexander V. Petrunin 0000-0002-9140-7222 RWTH Aachen University, Institute of Physical Chemistry Schmidt, Maximilian M. Maximilian M. Schmidt 0000-0001-7343-051X RWTH Aachen University, Institute of Physical Chemistry Schweins, Ralf Ralf Schweins 0000-0001-8078-2089 Institut Laue-Langevin Houston, Judith E. Judith E. Houston 0000-0001-5205-3620 Scotti, Andrea Andrea Scotti 0000-0002-8988-330X RWTH Aachen University, Institute of Physical Chemistry Analytical data belonging to the publication: "Self-healing of charged nanogels in neutral and charged environments" Small-angle X-ray scattering (SAXS) Small-angle neutron scattering (SANS) Dynamic Light Scattering (DLS) Viscometry In the present study, the response of ionic microgels to crowding is investigated. The microgels in the charged and uncharged state are probed in concentrated suspensions consisting of either neutral and charged microgels. We combined small-angle X-ray scattering (SAXS) and small-angle neutron scattering (SANS) with contrast variation to obtain information on both particle-to-particle arrangement and response of individual microgels in the same suspensions. The results clearly show that domination of faceting or deswelling is determined by the charge state of the microgel and its surroundings. The dataset includes the following measurements: SAXS and SANS in diluted and concentrated suspensions, form factor fits to the SANS and SAXS data, dynamic light scattering (DLS) data, viscosimetry data. Chemical structure Gels Hydrogenation X-ray scattering Suspensions IPC - RWTH Aachen University 2022 2023 Physics Chemistry CC BY 4.0 Attribution RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/8832023-11-15T14:36:24Zradar4chem

10.22000/883 10.1016/j.fluid.2023.113801 Nevolianis, Thomas Thomas Nevolianis 0000-0003-4478-5842 Baumann, Matthias Matthias Baumann 0000-0003-1237-7676 Viswanathan, Narasimhan Narasimhan Viswanathan 0000-0003-0369-3853 Kopp, Wassja A. Wassja A. Kopp 0000-0001-8147-3464 Leonhard, Kai Kai Leonhard 0000-0001-6231-6957 Data belonging to the publication "DISSOLVE: Database of ionic solutes’ solvation free energies" Optimized geometries of the charged and neutral solutes as well as all the numerical values of gas phase acidities, solvation free energies, and pKa values quantum mechanics LTT - RWTH Aachen University 2023 2023 Chemistry Physics CC BY 4.0 Attribution LTT - RWTH Aachen University Thomas Nevolianis Matthias Baumann Narasimhan Viswanathan Wassja A. Kopp Kai Leonhard Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/8572023-11-15T14:36:25Zradar4chem

10.22000/857 10.1039/D2PY01511K Nevolianis, Thomas Thomas Nevolianis 0000-0003-4478-5842 Scotti, Andrea Andrea Scotti 0000-0002-8988-330X Petrunin, Alexander Alexander Petrunin 0000-0002-9140-7222 Richtering, Walter Walter Richtering 0000-0003-4592-8171 Leonhard, Kai Kai Leonhard 0000-0001-6231-6957 Data belonging to the publication "Understanding the Monomer Deuteration Effect on the Transition Temperature of poly(N-isopropylacrylamide) Microgels in H2O" All optimized molecular geometries and multi-angle dynamic light scattering measurements. Dynamic light scattering Quantum mechanics LTT - RWTH Aachen University 2022 2023 Chemistry Physics CC BY 4.0 Attribution Thomas Nevolianis Andrea Scotti Alexander Petrunin Walter Richtering Kai Leonhard RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/18292023-11-27T08:22:34Zradar4chem

10.22000/1829 Heinke, Lars Lars Heinke 0000-0002-1439-9695 Data_ChemIngTec___Kanj-Heinke___1d-uptake-raw.zip Heinke, Lars 2023 2023 Chemistry CC BY-NC 4.0 Attribution-NonCommercial Heinke, Lars

10.22000/17402023-12-30T21:18:34Zradar4chem

10.22000/1740 10.1002/aesr.202300187 Langletz, Tim Tim Langletz 0000-0002-4174-8547 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Grande, Philipp M. Philipp M. Grande 0000-0002-2137-4920 Institute of Bio- and Geosciences: Plant Sciences, Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Straße 52428 Jülich, Germany Viell, Jörn Jörn Viell 0000-0003-0587-6151 . NGP2 Biorefinery, RWTH Aachen University, Forckenbeckstraße 51, Aachen 52074, Germany Wolters, Daniel Daniel Wolters Institute of Textile Technology, RWTH Aachen University Otto-Blumenthal-Straße 1, 52074 Aachen, Germany Klose, Holger Holger Klose 0000-0003-3804-0094 Institute of Bio- and Geosciences: Plant Sciences, Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Straße 52428 Jülich, Germany and RWTH Aachen University Schriever, Sascha G. Sascha G. Schriever Institute of Textile Technology, RWTH Aachen University Otto-Blumenthal-Straße 1, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Gries, Thomas Thomas Gries Institute of Textile Technology, RWTH Aachen University Otto-Blumenthal-Straße 1, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany Tonn, Josia Josia Tonn Fluid Process Engineering (AVT, FVT), RWTH Aachen University, Forckenbeckstraße 51, 52074 Aachen, Germany Jupke, Andreas Andreas Jupke 0000-0001-6551-5695 Fluid Process Engineering (AVT, FVT), RWTH Aachen University, Forckenbeckstraße 51, 52074 Aachen, Germany Experimental Data to the publication "Towards a Greener Bioeconomy: Synthesis and Characterization of Lignin-Polylactide Copolymers" NMR spectroscopic data, DSC and TGA data and further information of the kinetics of the polymerisation of lactide and lignin were deposited. NMR spectroscopy lactide polymerisation differential scanning calorimetry (DSC) thermogravimetric analysis (TGA) RWTH Aachen University 2023 2023 eng Chemistry Materials Science NMR spectroscopic data and data of the thermal analysis via thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) Bruker Avance II (400MHz) Bruker Avance III (400MHz) Netzsch DSC 204 F1 Phoenix Mettler Toledo TGA TOPSPIN TOPSPIN NETZSCH Proteus for Thermal Analysis STARe MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Bioeconomy Science Center 313/323-400-002 13 https://www.biosc.de/lignoTex BOOST FUND 2.0 - Projekt LignoTex: Integrated Biorefinery for Sustainable Production and Processing of Lignin for Textile Application

10.22000/7022024-01-15T13:22:48Zradar4chem

10.22000/702 10.1515/pac-2022-1001 Parks, Nicole A. Nicole A. Parks 0000-0002-6243-2840 RWTH Aachen University Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry Blankenburg, Claudia Claudia Blankenburg 0000-0002-7955-8378 Leibniz Institute of Plant Biochemistry Scalfani, Vincent F. Vincent F. Scalfani 0000-0002-7363-531X University of Alabama McEwen, Leah R. Leah R. McEwen 0000-0003-2968-1674 Cornell University Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University Neumann, Steffen Steffen Neumann 0000-0002-7899-7192 Leibniz Institute of Plant Biochemistry The current landscape of author guidelines in chemistry through the lens of research data sharing This data package contains the results of a large-scale analysis of author guidelines from several publishers and journals active in chemistry research, showing how well the publishing landscape supports different criteria. chemistry academic publishing scientific journals FAIR research data research data data repositories RADAR4Chem 2021-2022 2023 eng Chemistry Python R Visual Studio Vode Jupyter Notebook (see README) CC BY 4.0 Attribution Leibniz Institute of Plant Biochemistry Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI HORIZON EUROPE European Research Council 100019180 101058393 https://ec.europa.eu/info/funding-tenders/opportunities/portal/screen/how-to-participate/org-details/935884325/project/101058393/program/43108390/details Global cooperation on FAIR data policy and practice (WorldFAIR) Office of Advanced Cyberinfrastructure 100000105 1838958 https://www.nsf.gov/awardsearch/showAward?AWD_ID=1838958&HistoricalAwards=false FAIR Publishing Guidelines for Spectral Data and Chemical Structures in Support of Chemistry and Related Disciplinary Communities Office of Advanced Cyberinfrastructure 100000105 1838960 https://www.nsf.gov/awardsearch/showAward?AWD_ID=1838960&HistoricalAwards=false FAIR Publishing Guidelines for Spectral Data and Chemical Structures in Support of Chemistry and Related Disciplinary Communities

10.22000/18542024-01-17T14:48:33Zradar4chem

10.22000/1854 Schöntag, Johannes Johannes Schöntag 0000-0002-6427-3142 University of Tübingen Bettinger, Holger F. Holger F. Bettinger 0000-0001-5223-662X University of Tübingen Nucleophilic Addition of Bulky Aryl Substituents to Pentacene-6,13-quinone NMR and optical data for Publication: Nucleophilic Addition of Bulky Aryl Substituents to Pentacene-6,13-quinone Bettinger, Holger F. 2023 2024 Chemistry CC BY 4.0 Attribution Schöntag, Johannes Holger F., Bettinger European Research Council 501100000781 101071420 TACY

10.22000/18272024-01-23T08:56:34Zradar4chem

10.22000/1827 10.1103/PhysRevLett.131.258202 Schmidt, Maximilian M. Maximilian M. Schmidt 0000-0001-7343-051X RWTH Aachen University Ruiz-Franco, José José Ruiz-Franco Wageningen University & Research Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University Camerin, Fabrizio Fabrizio Camerin 0000-0003-2468-9351 Utrecht University Zaccarelli, Emanuela Emanuela Zaccarelli 0000-0003-0032-8906 National Research Council Scotti, Andrea Andrea Scotti 0000-0002-8988-330X Malmö University Dataset belonging to the Publication: "Interfacial fluid rheology of soft particles" This dataset contains the data used to create the figure in the associated publication "Interfacial fluid rheology of soft particles". In the folder _article and _SM the data used to realise the different figures can be found. For every figure/panel you can find the set of data as .txt, .csv or .dat (Matbal). RWTH Aachen University 2023 2024 Physics CC BY 4.0 Attribution RWTH Aachen University Richtering, Walter Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/17432024-01-24T17:02:48Zradar4chem

10.22000/1743 10.1039/D3CP05471C 10.17877/RESOLV-2024-lrgkievk Maste, Stefan Stefan Maste 0009-0000-0132-2106 TU Dortmund University Sharma, Bikramjit Bikramjit Sharma 0000-0002-8844-1796 Ruhr University Bochum Pongratz, Tim Tim Pongratz 0009-0008-8217-3285 TU Dortmund University Marx, Dominik Dominik Marx Ruhr University Bochum Kast, Stefan M. Stefan M. Kast 0000-0001-7346-7064 TU Dortmund University Electronic supporting information to Maste et al. - The Accuracy Limit of Chemical Shift Predictions for Species in Aqueous Solution NMR solvation AIMD EC-RISM quantum chemistry Cluster of Excellence RESOLV 2023 2024 Chemistry Snapshot and optimized structures with corresponding shielding constants, example inputs CC0 1.0 Universal Public Domain Dedication - Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 EXC-2033 – Projektnummer 390677874 Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 FOR 1979

10.22000/19152024-02-05T22:10:34Zradar4chem

10.22000/1915 Pruthi, Vaishali Vaishali Pruthi 0000-0002-3148-7873 Karlsruhe Institute of Technology 3D Printable Polyelectrolyte Complex- integrated Interpenetrating Network Hydrogels with Customizable Mechanical Strength and pH-Responsiveness Théato, Patrick 2024 2024 Chemistry CC BY 4.0 Attribution Théato, Patrick

10.22000/19192024-02-07T13:46:33Zradar4chem

10.22000/1919 Döpping, Daniel Daniel Döpping 0000-0003-1118-1970 Karlsruher Institut für Technologie (KIT) Institut für Technische Chemie und Polymerchemie (ITCP) Polyacrylonitrile Coated SiO2 Nanoparticles: Coating Thickness Characterization via Size Exclusion Chromatography Théato, Patrick 2024 2024 Chemistry CC BY 4.0 Attribution Karlsruher Institut für Technologie (KIT) Institut für Technische Chemie und Polymerchemie (ITCP)

10.22000/19112024-02-29T08:08:33Zradar4chem

10.22000/1911 10.1021/acsnano.3c12357 Hohenschutz, Max Max Hohenschutz 0000-0002-9732-8752 RWTH Aachen University Simons, Jasmin Jasmin Simons 0000-0002-7866-1592 RWTH Aachen University Crassous, Jérôme Jérôme Crassous 0000-0002-7434-9024 RWTH Aachen University Petrunin, Alexander V Alexander V Petrunin 0000-0002-9140-7222 RWTH Aachen University Hazra, Nabanita Nabanita Hazra 0000-0002-3632-4221 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Dataset belonging to publication: "Microgels react to incorporation of solutes: Superchaotropic Nano-ions" Data to the figures in the publication, raw data to zetasizer, multi-angle DLS, SLS, SAXS and Raman RWTH Aachen University 2024 2024 Chemistry CC BY 4.0 Attribution Max Hohenschutz Jasmin Simons Alexander V Petrunin Jérôme Crassous Walter Richtering Nabanita Hazra RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems RWTH Aachen University 501100007210 StUpPD 410-22 Exploratory Research Space

10.22000/7952024-03-11T10:12:47Zradar4chem

10.22000/795 10.1002/ciuz.201300634 Schulze, Franziska Franziska Schulze Leipzig University Titus, Juliane Juliane Titus Leipzig University Mettke, Peter Peter Mettke Leipzig University Berger, Stefan Stefan Berger 0000-0002-8128-9613 Leipzig University Siehl, Hans-Ulrich Hans-Ulrich Siehl University of Ulm Zeller, Klaus-Peter Klaus-Peter Zeller University of Tübingen Sicker, Dieter Dieter Sicker 0000-0003-3949-782X Leipzig University Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry Karminsäure Das Rot aus Cochenilleläusen natural products RADAR4Chem 2022 2022 eng Chemistry CC BY 4.0 Attribution Prof. Dr. Dieter Sicker Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI

10.22000/7862024-03-11T10:12:50Zradar4chem

10.22000/786 10.1002/ciuz.201900868 Keltsch, Nils Nils Keltsch Leipzig University Munzert, Viola Viola Munzert University of Tübingen Zeller, Klaus-Peter Klaus-Peter Zeller University of Tübingen Siehl, Hans-Ullrich Hans-Ullrich Siehl University of Ulm Berger, Stefan Stefan Berger 0000-0002-8128-9613 Leipzig University Sicker, Dieter Dieter Sicker 0000-0003-3949-782X Leipzig University Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry Linderazulen aus einer invasiven Pflanze Delphi und sein violettes Wunder natural products RADAR4Chem 2022 2022 eng Chemistry CC BY 4.0 Attribution Prof. Dr. Dieter Sicker Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI

10.22000/18752024-03-11T10:14:47Zradar4chem

10.22000/1875 10.22000/786 10.57992/nmrxiv.p2.s273.d1600 10.1002/ciuz.201900868 Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry Ditfe, Toni Toni Ditfe 0000-0001-6360-6673 Leibniz Institute of Plant Biochemistry Neumann, Steffen Steffen Neumann 0000-0002-7899-7192 Leibniz Institute of Plant Biochemistry Berger, Stefan Stefan Berger 0000-0002-8128-9613 Leipzig University Sicker, Dieter Dieter Sicker 0000-0003-3949-782X Leipzig University 1H NMR Data of Linderazulene with Peaks, Integrals, Multiplets and Assignments added with TopSpin and MNova RADAR4Chem 2023 2024 Chemistry Bruker AVANCE III HD 400 Bruker TopSpin Bruker TopSpin Mestrelab MNova Mestrelab MNova CC BY 4.0 Attribution Fischer, Tillmann Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI

10.22000/7852024-03-11T10:14:50Zradar4chem

10.22000/785 10.1002/ciuz.201800860 Prasse, Agneta Agneta Prasse Leipzig University Munzert, Viola Viola Munzert University of Tübingen José, Elena Elena José University of Ulm Zeller, Klaus-Peter Klaus-Peter Zeller University of Tübingen Siehl, Hans-Ullrich Hans-Ullrich Siehl University of Ulm Berger, Stefan Stefan Berger 0000-0002-8128-9613 Leipzig University Sicker, Dieter Dieter Sicker 0000-0003-3949-782X Leipzig University Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry Die Polei-Minze im Wandel der Zeiten Naturstoffe isolieren und charakterisieren natural products RADAR4Chem 2022 2022 eng Chemistry CC BY 4.0 Attribution Prof. Dr. Dieter Sicker Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI

10.22000/18652024-03-20T15:04:47Zradar4chem

10.22000/1865 10.1021/acs.jnatprod.1c01035 Çiçek, Serhat Sezai Serhat Sezai Çiçek 0000-0002-3038-8523 Kiel University Galarza Pérez, Mayra Mayra Galarza Pérez 0000-0002-6858-6517 Kiel University Wenzel-Storjohann, Arlette Arlette Wenzel-Storjohann 0000-0002-8839-5873 GEOMAR Helmholtz Centre for Ocean Research Kiel Bezerra, Roberto M. Roberto M. Bezerra Universidade Federal do Amapá Segovia, Jorge F. O. Jorge F. O. Segovia Brazilian Agricultural Research Corporation Girreser, Ulrich Ulrich Girreser 0000-0002-4535-3657 Kiel University Kanzaki, Isamu Isamu Kanzaki 0000-0002-4388-7057 Universidade de Brasília Tasdemir, Deniz Deniz Tasdemir 0000-0002-7841-6271 GEOMAR Helmholtz Centre for Ocean Research Kiel Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry Antimicrobial Prenylated Isoflavones from the Leaves of the Amazonian Medicinal Plant Vatairea guianensis Aubl. Çiçek, Serhat Sezai 2020-2021 2024 eng Chemistry BRAZIL 0.2250833 -51.5567222 Bruker TopSpin Bruker TopSpin Bruker otofControl CC BY 4.0 Attribution Çiçek, Serhat Sezai Fundação de Apoio à Pesquisa do Distrito Federal 501100005668 Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208 NFDI4Chem – Chemistry Consortium in the NFDI

10.22000/OGoEQGlsZGElrgst2024-03-22T16:42:34Zradar4chem

10.22000/OGoEQGlsZGElrgst Jung, Nicole Nicole Jung 0000-0001-9513-2468 Tremouilhac, Pierre Pierre Tremouilhac 0000-0002-0487-3947 Punjabi, Dev Dev Punjabi 0009-0008-1847-2563 Huang, Pei-Chi Pei-Chi Huang 0000-0002-9976-4507 Chemotion Repository - Data collection: FT-IR spectroscopy data (Chemotion IR) This dataset comprises experimental data obtained from the characterization of chemical compounds synthesized across various chemical laboratories. The data was published in the Chemotion repository which primarily serves to validate findings in scientific publications, in compliance with diverse funding agencies and publisher recommendations. At the time of export, a majority of the data originated from the chemical laboratories at the Karlsruhe Institute of Technology, with a smaller portion contributed by other research institutes in Germany. The provided zip folder includes 4183 *.jdx files and one metadata file "meta_data.json" with metadata describing all the files The metadata file "meta_data.json" contains the following metadata per dataset: sample_id, cano_smiles, kind, analysis_id, authors, affiliations, content, datasets, filename, identifier and instrument. The collection was gained from contributions of the following scientists: Aleksandra Vidyakina, Alex Braun, Alexander B. Braun, Alina Hermann, Andreas Link, André Jung, Changming Hu, Chloé Liagre, Christian Conrads, Christoph Schissler, Christoph Zippel, Claudine Herlan, Cornelia Mattern, Daniel Knoll, Fabian Hundemer, Florian Mohr, Franziska Spruner von Mertz, Georg Manolikakes, Helena Šimek, Ilga Kristine Krimmelbein, Irina Protasova, Isabelle Wessely, Janina Beck, Jasmin Busch, Joana Krämer, Joshua Heck, Julian Brückel, Jérôme Klein, Konstantin Kröckert, Ksenia Kutonova, Laura Holzhauer, Lisa Schmidt, Lukas Langer, Maria Marques, Mareen Stahlberger, Melanie Paul, Michael Konstantinos Bogdos, Nicolai Rosenbaum, Nicolai Wippert, Nicole Jung, Niklas Krappel, Nilima Manoj Kumar, Patrick Hodapp, Rachel Janßen, Regina Schmidt, Robin Bär, Simon Oßwald, Simone Gräßle, Stefan Marschner, Steffen Otterbach, Susanne Kirchner, Sylvain Grosjean, Sylvia Vanderheiden-Schroen, Thomas Hurrle, Till Opatz, Timo Sehn, Toni Ditfe, Ulrich Herber, Vanessa Koch, Victor Larignon, Xujun Qiu, Yannick Matt, Yichuan Wang, Yu-Chieh Huang, Zhen Zhang Organic Chemistry JCAMP-DX Cheminformatics Machine learning Functional groups IR spectroscopy Karlsruhe Institute of Technology 2022-2023 2024 Chemistry Computer Science Infrared Spectroscopy dataset of organic molecules Chemotion Repository Chemotion Repository ChemSpectra CC BY-SA 4.0 Attribution-ShareAlike Aleksandra Vidyakina, Alex Braun, Alexander B. Braun, Alina Hermann, Andreas Link, André Jung, Changming Hu, Chloé Liagre, Christian Conrads, Christoph Schissler, Christoph Zippel, Claudine Herlan, Cornelia Mattern, Daniel Knoll, Fabian Hundemer, Florian Mohr, Franziska Spruner von Mertz, Georg Manolikakes, Helena Šimek, Ilga Kristine Krimmelbein, Irina Protasova, Isabelle Wessely, Janina Beck, Jasmin Busch, Joana Krämer, Joshua Heck, Julian Brückel, Jérôme Klein, Konstantin Kröckert, Ksenia Kutonova, Laura Holzhauer, Lisa Schmidt, Lukas Langer, Maria Marques, Mareen Stahlberger, Melanie Paul, Michael Konstantinos Bogdos, Nicolai Rosenbaum, Nicolai Wippert, Nicole Jung, Niklas Krappel, Nilima Manoj Kumar, Patrick Hodapp, Rachel Janßen, Regina Schmidt, Robin Bär, Simon Oßwald, Simone Gräßle, Stefan Marschner, Steffen Otterbach, Susanne Kirchner, Sylvain Grosjean, Sylvia Vanderheiden-Schroen, Thomas Hurrle, Till Opatz, Timo Sehn, Toni Ditfe, Ulrich Herber, Vanessa Koch, Victor Larignon, Xujun Qiu, Yannick Matt, Yichuan Wang, Yu-Chieh Huang, Zhen Zhang

10.22000/PgmZKMHOGVgAvTnS2024-04-10T10:32:33Zradar4chem

10.22000/PgmZKMHOGVgAvTnS Grimm, Alexander Alexander Grimm 0000-0002-8423-1708 IBG-3, KIT Inverse Vulcanization of Activated Norbornenyl Esters - A Versatile Platform for Functional Sulfur Polymers Théato, Patrick 2024 2024 Chemistry CC BY-NC-ND 4.0 Attribution-NonCommercial-NoDerivs Théato, Patrick

10.22000/TvZgILKZrpTyDRFj2024-05-08T13:06:33Zradar4chem

10.22000/TvZgILKZrpTyDRFj Akae, Yosuke Yosuke Akae 0000-0002-3015-7450 Karlsruhe Institute of Technology Tailored Polyurethane Synthesis from AB-type Monomer Akae, Yosuke 2024 2024 Chemistry CC BY-NC-ND 4.0 Attribution-NonCommercial-NoDerivs Akae, Yosuke

10.22000/wbBsRWXPcktYkFKf2024-05-21T12:42:33Zradar4chem

10.22000/wbBsRWXPcktYkFKf 10.1002/adfm.202403787 Fink, Fabian Fabian Fink 0000-0002-1863-2087 RWTH Aachen University Grabowski, Frédéric Frédéric Grabowski 0000-0002-7369-8687 RWTH Aachen University Schier, Walter Sebastian Walter Sebastian Schier 0009-0003-9731-4347 RWTH Aachen University Soerensen, Sven Sven Soerensen 0009-0004-6297-2611 RWTH Aachen University Petrunin, Alexander V. Alexander V. Petrunin 0000-0002-9140-7222 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University Pich, Andrij Andrij Pich 0000-0003-1825-7798 RWTH Aachen University Dataset belonging to the publication: "Catalyzed Henry Reaction by Compartmentalized Copper-Pyrazolyl-Complex Modified Microgels" Raw and processed data for DLS, EPR, and SAXS measurements belonging to the publication "Catalyzed Henry Reaction by Compartmentalized Copper-Pyrazolyl-Complex Modified Microgels" microgels precipitation polymerization copper complexes Henry reaction catalyst recycling RWTH Aachen University 2022-2024 2024 eng Chemistry DLS measurements were performed on an ALV/CGS-3 Compact Goniometer System (ALV-Laser Vertriebsgesellschaft mbH, Hessen, Germany) with an ALV/LSE 5004 Tau Digital Correlator. The SAXS experiments were performed at the CoSAXS beamline at the 3 GeV ring of the MAX-IV Laboratory (Lund, Sweden). EPR spectra were recorded on a Miniscope MS 400 from Magnettech with a microwave frequency of 9.4 GHz. MiniscopeCtrl from Magnettech (EPR) The intensity time correlation functions of DLS measurements were analyzed using cumulant algorithm. For SAXS measurements, the fitting of the obtained form factors was carried out using FitIt! software The EPR spectra were simulated with the Matlab tool EasySpin, applying the simulation function pepper. CC BY 4.0 Attribution Fink, Fabian Grabowski, Frédéric Schier, Walter Sebastian Soerensen, Sven Petrunin, Alexander V. Richtering, Walter Herres-Pawlis, Sonja Pich, Andrij RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/19232024-05-23T08:00:34Zradar4chem

10.22000/1923 10.1122/8.0000714 Schmidt, Maximilian Marcel Maximilian Marcel Schmidt 0000-0001-7343-051X RWTH Aachen University Laukkanen, Olli-Ville Olli-Ville Laukkanen 0009-0000-4507-938X VTT Technical Research Centre of Finland Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University Schier, Walter Sebastian Walter Sebastian Schier 0009-0003-9731-4347 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Dataset belonging to the publication "Interfacial rheology of polyelectrolyte microgel monolayers: correlation between mechanical properties and phase behavior at oil-water interfaces" This dataset contains the data on which the publication "Interfacial rheology of polyelectrolyte microgel monolayers: correlation between mechanical properties and phase behavior at oil-water interfaces" is based. Files are structured according to the different methods used. All measurements are presented as individual .txt-files. Interfacial shear rheology, interfacial dilatational rheology, Langmuir trough compression experiments Microgels Monolayers Interfacial rheology Mechanical properties Two-dimensional phase behavior Institute of Physical Chemistry, RWTH Aachen University 2021-2022 2024 Chemistry Physics CC BY 4.0 Attribution RWTH Aachen University Schmidt, Maximilian Marcel Laukkanen, Olli-Ville Bochenek, Steffen Schier, Walter Sebastian Richtering, Walter Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/18922024-06-05T14:24:34Zradar4chem

10.22000/1892 10.1039/D3SM01426F Strauch, Christian Christian Strauch 0000-0001-9895-3552 Institut für Physikalische Chemie, RWTH Aachen University Schneider, Stefanie Stefanie Schneider 0000-0002-4399-0388 Institut für Physikalische Chemie, RWTH Aachen University Dataset for the publication "Monte Carlo simulation of the ionization and uptake behavior of cationic oligomers into pH-responsive polyelectrolyte microgels of opposite charge - a model for oligopeptide uptake and release" In this work, we modeled the uptake of cationic oligomers in anionic pH-responsive networks. We varied the pK-values for the monomers in the network and the monomers in the oligomers. Further, we varied the influence of concentration and oligomer length. Besides the uptake, we investigated the ionization and swelling behavior of the network. Finally, a purification run was mimicked for selected systems Metropolis Monte Carlo simulations Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Cluster CLAIX2018-GPU microgels, oligomers, oligopeptide, pH-responsive, constant-pH IPC - RWTH Aachen University 2023 2024 eng Chemistry Molsim simlab Gnuplot VMD CC BY-NC 4.0 Attribution-NonCommercial RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/yYqTQhZNrPZhSHyL2024-06-12T21:26:35Zradar4chem

10.22000/yYqTQhZNrPZhSHyL Becker, Tabea Tabea Becker 0009-0007-5243-1952 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 5207 Aachen, Germany and Bioeconomy Science Center (BioSC), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany Hermann, Alina Alina Hermann RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 5207 Aachen, Germany and Bioeconomy Science Center (BioSC), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany Saritas, Nazik Nazik Saritas RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 5207 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 5207 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 5207 Aachen, Germany and Bioeconomy Science Center (BioSC), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany Experimental Data to the publication "Open- and Closed-Loop Recycling: Highly Active Zinc Bisguanidine Polymerization Catalyst for the Depolymerization of Polyesters" NMR spectroscopic data, GPC data, kinetic data and data for the determination of the activation energy, activation enthalpy and the activation entropy via an Eyring plot for the depolymerisation activity of polylactide, catalyst recycling, scale-up experiments and solvent-free alcoholysis of a non toxic Zn catalyst were deposited. NMR spectroscopy depolymerisation Polylactide guanidine complex RWTH Aachen University 2023-2024 2024 eng Materials Science Chemistry NMR, GPC and kinetic experimental data Bruker Avance II (400 MHz) Bruker Avance III (400 MHz) GPCmax VE-2001 from Viscotek: two Malvern Vicotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 and 5000 Å, a refractive index detectort (VE-3580), and a viscosimeter (Vircotek 270 Dual Detector) TOPSPIN TOPSPIN Omnisec MestReNova CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University

10.22000/18202024-06-20T08:14:47Zradar4chem

10.22000/1820 https://github.com/robna/MPX_specDB https://doi.org/10.5281/zenodo.8314801 Lenz, Robin Robin Lenz 0000-0003-4156-7380 Leibniz Institute of Polymer Research Fischer, Franziska Franziska Fischer 0000-0002-2317-6784 Leibniz Institute of Polymer Research Arnold, Melinda Melinda Arnold Leibniz Institute of Polymer Research Fernández-González, Verónica Verónica Fernández-González 0000-0002-6890-6154 University of A Coruña Moscoso Pérez, Carmen María Carmen María Moscoso Pérez 0000-0002-2451-3535 University of A Coruña Andrade-Garda, José Manuel José Manuel Andrade-Garda 0000-0003-1020-5213 University of A Coruña Muniategui-Lorenzo, Soledad Soledad Muniategui-Lorenzo 0000-0001-5946-3366 University of A Coruña Fischer, Dieter Dieter Fischer 0000-0003-4458-2631 Leibniz Institute of Polymer Research Frias, João João Frias 0000-0001-9943-1035 Atlantic Technological University Casotti, Raffaella Raffaella Casotti 0000-0002-9876-4601 Stazione Zoologica Anton Dohrn Pedrotti, Maria Luiza Maria Luiza Pedrotti 0000-0002-9963-0402 Sorbonne University The JPI Oceans Project MicroPlastiX consortium members MicroPlastiX SpecDB Database of Raman and ATR-FTIR spectra of weathered and biofouled polymers MicroPlastiX - Weathered polymer and biofilm spectra This dataset is a spectroscopic library structured as a document database. It contains Raman and ATR-FTIR spectra of weathered and biofouled polymers. The deposit here includes only the chemical raw data (spectra.zip) and the related metadata (metadata.json). Readers are recommended to visit the source repository of the project (https://github.com/robna/MPX_specDB), which includes also an interactive app that can be used to view or selectively download the data. It also provides more in depth explanations on methodology and extensive metadata descriptors. microplastics spectroscopy polymer degradation biofouling Lenz, Robin 2020-2023 2023 eng Other Polymerspectroscopy Spectroscopic collection including rich metadata FRANCE Villefranche-sur-Mer (VLFR) 43.696389 7.309167 ITALY Bay of Naples (NAP) 40.833056 14.253056 SPAIN Ares harbour (LCG) 43.422222 -8.239444 Vibrational spectroscopic measurements of polymers weathered and biofouled in the marine environment. Measurement software as provided by the different instrument manufacturers was used in their current versions (instrument descriptions are provided in the interactive data viewer app) The integrated data viewer app (https://robna.github.io/MPX_specDB/) was written in Python Python Raw spectroscopic data have been converted from various proprietary instrument formats into a standardised CSV format. The accompanying metadata provides information on the post-processing steps applied to each spectrum. CC BY-SA 4.0 Attribution-ShareAlike Lenz, Robin Fischer, Franziska Arnold, Melinda Fernández-González, Verónica Moscoso Pérez, Carmen María Andrade-Garda, José Manuel Muniategui-Lorenzo, Soledad Fischer, Dieter Leibniz Institute of Polymer Research University of A Coruña JPI Oceans Project MicroplastiX

10.22000/soDUutABNkcCdbHh2024-07-12T12:24:35Zradar4chem

10.22000/soDUutABNkcCdbHh Holzhauer, Laura Laura Holzhauer 0000-0001-8780-3225 Karlsruhe Institute of Technology Holzhauer, Laura Laura Holzhauer 0000-0001-8780-3225 Karlsruhe Institute of Technology Shekhovtsev, Vitalii Vitalii Shekhovtsev Karlsruhe Institute of Technology Bruschi, Cecilia Cecilia Bruschi 0000-0002-6507-767X Karlsruhe Institute of Technology Gunther, Mathis Mathis Gunther 0000-0002-8922-0477 Karlsruhe Institute of Technology Fuhr, Olaf Olaf Fuhr 0000-0003-3516-2440 Karlsruhe Institute of Technology Hodapp, Patrick Patrick Hodapp 0000-0001-7617-5059 Karlsruhe Institute of Technology Bizzarri, Claudia Claudia Bizzarri 0000-0002-4077-2553 Karlsruhe Institute of Technology Wenzel, Wolfgang Wolfgang Wenzel 0000-0001-9487-4689 Karlsruhe Institute of Technology Jung, Nicole Nicole Jung 0000-0001-9513-2468 Karlsruhe Institute of Technology Bräse, Stefan Stefan Bräse 0000-0003-4845-3191 Karlsruhe Institute of Technology Additional Datasets and Files for Publication "Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings" This dataset covers additional analytical data and supplementary 3D printer files of a publication describing an NMR-based screening approach to monitor the formation of complexes. Changes within reaction mixtures containing metals and ligands were recorded on a small scale via a simple but reliable protocol. Based on the obtained data, we could draw conclusions on the formation of 2-(1', 2', 3'-triazol-1'yl)quinoxaline-based transition metal complexes. The NMR screening results obtained were confirmed by the repetition of selected experiments on a large scale (reported in the repository Chemotion) and wherever possible, the type of complex obtained was evaluated by crystal structure elucidation (reported in the CCDC). We could show the versatile complexation of the selected ligands with copper, gold, and silver in a bridging, chelating, or monodentate manner. The calculated theoretical properties supported the experimental results and enabled initial in silico predictions of similar compounds before conducting the complexation experiments and structural analyses. Links to further data in the Chemotion repository: https://dx.doi.org/10.14272/collection/cbu_2022-01-18; https://dx.doi.org/10.14272/collection/LSH_2023-12-07_2. Links to further data in the CCDC can be obtained with the following submission numbers: CCDC-2336030 to CCDC-2336038. Metal Complexes Screening NMR Karlsruhe Institute of Technology 2024 2024 eng Chemistry Materials Science Collection Chemotion ELN CC BY 4.0 Attribution KIT

10.22000/jSlYquBfZcUmVYJx2024-07-26T11:24:34Zradar4chem

10.22000/jSlYquBfZcUmVYJx 10.26434/chemrxiv-2023-95s19 10.14272/UVLHGRADYISRGZ-UHFFFAOYSA-N.5 10.22000/1753 Herrmann, David David Herrmann 0009-0008-1636-0875 Karlsruhe Institute of Technology Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen Fischer, Tillmann G. Tillmann G. Fischer 0000-0003-4480-8661 Leibniz Institute of Plant Biochemistry (IPB) Bizzarri, Claudia Claudia Bizzarri 0000-0002-4077-2553 Karlsruhe Institute of Technology Jung, Nicole Nicole Jung 0000-0001-9513-2468 Karlsruhe Institute of Technology Bräse, Stefan Stefan Bräse 0000-0003-4845-3191 Karlsruhe Institute of Technology Analytical data: cyclic voltammetry - Version v.1.1 Cyclic voltammetry experiment of the complex [Cu(TMGqu)2]PF6, previously reported by Stanek at al. 2017. This dataset and its description is published as a first draft to enable a discussion about how to report on cyclic voltammetry data - it refers to the preprint: https://doi.org/10.26434/chemrxiv-2023-95s19. Cyclic voltammetry Open Science Electrochemistry Research data management Digitalization Karlsruhe Institute of Technology 2024 2024 eng Chemistry Materials Science Collection Chemotion ELN CC BY 4.0 Attribution Herrmann, David German research foundation 441958208 National Research Data Infrastructure for Chemistry (NFDI4Chem)

10.22000/17932024-09-09T06:50:34Zradar4chem

10.22000/1793 Parks, Nicole A. Nicole A. Parks 0000-0002-6243-2840 RWTH Aachen University Kröckert, Konstantin W. Konstantin W. Kröckert 0009-0004-8131-8818 RWTH Aachen University Claßen, Fabian Fabian Claßen 0009-0006-7311-5927 RWTH Aachen University Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University Müller, Matthias Matthias Müller 0000-0003-2545-5258 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Dataset belonging to the publication "Data-Producing Methods in CRC 985: Recommendations for Research Data Management in Large Interdisciplinary Projects" This data was collected and processed as part of the CRC 985 INF project. It was used to create an overview of the data-producing methods available and employed throughout the project and their associated file types. This information was used as a basis for the associated manuscript (see related identifiers). The Jupyter Notebook used to create the figures in the manuscipt is included within this dataset. Furthermore, the surveys give insight into research data management practices within this project and large, interdisciplinary projects in general. Survey research data management CRC 985 collaborative research center INF chemistry RWTH Aachen University 2021-2023 2024 eng Chemistry Engineering Survey with CRC 985 members Jupyter Notebook Python CC BY 4.0 Attribution RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems Deutsche Forschungsgemeinschaft 501100001659 441958208 https://gepris.dfg.de/gepris/projekt/441958208?context=projekt&task=showDetail&id=441958208& NFDI4Chem – Fachkonsortium Chemie in der NFDI

10.22000/njxqt7bv0n7vdsvk2024-09-12T08:52:34Zradar4chem

10.22000/njxqt7bv0n7vdsvk Schöntag, Johannes Johannes Schöntag 0000-0002-6427-3142 University of Tübingen Bettinger, Holger F. Holger F. Bettinger 0000-0001-5223-662X University of Tübingen Roberts, William William Roberts 0009-0005-0015-1233 University of Tübingen Scheele, Marcus Marcus Scheele 0000-0002-2704-3591 University of Tübingen Hettiger, Theresa Theresa Hettiger University of Tübingen Rearrangement Cascade Initiated by Nucleophilic Benzyne Attack on 3,6-Di(2-pyridyl)-1,2-diazines NMR, optical and electrochemical data for Publication: Rearrangement Cascade Initiated by Nucleophilic Benzyne Attack on 3,6-Di(2-pyridyl)-1,2-diazines Bettinger, Holger F. 2024 2024 Chemistry CC BY 4.0 Attribution Schöntag, Johannes Holger F., Bettinger Scheele, Marcus Roberts, William Hettiger, Theresa European Research Council 501100000781 101071420 TACY

10.22000/jGCCRAkGwdLQxdIQ2024-10-21T06:58:34Zradar4chem

10.22000/jGCCRAkGwdLQxdIQ Theato, Patrick Patrick Theato 0000-0002-4562-9254 Synthesis of Polyimide-PEO Copolymers: Toward Thermally Stable Solid Polymer Electrolytes for Lithium-Metal Batteries Patrick Theato Fabian Jeschull Dominik Voll Timofey Kolesnikov 2024 2024 Chemistry CC BY-NC-ND 4.0 Attribution-NonCommercial-NoDerivs Patrick Theato

10.22000/6042024-10-25T07:08:47Zradar4chem

10.22000/604 10.1126/sciadv.abn6129 21.11102/01544e46-6d29-4828-bb14-679736694664 Scotti, Andrea Andrea Scotti 0000-0002-8988-330X RWTH Aachen University, Institute of Physical Chemistry Analytical data belonging to the publication "Resolving the different bulk moduli within individual soft nanogels using small-angle neutron scattering" The bulk modulus, K, quantifies the elastic response of an object to an isotropic compression. For soft compressible colloids, knowing K is essential to accurately predict the suspension response to crowding. Most colloids have complex architectures characterized by different softness, which, additionally, depends on compression. In this article, we determine the different values of K for the various morphological parts of individual nanogels and probe the changes of K with compression. Our method uses a partially-deuterated polymer, which exerts the required isotropic stress, and small-angle neutron scattering with contrast matching to determine the form factor of the particles without any scattering contribution from the polymer. We show a clear difference in softness, compressibility and evolution of $K$ between the shell of the nanogel, and the rest of the particle, depending on the amount of crosslinker used in their synthesis. SANS Data collected at PSI (SANS I) and ILL (D11) IPC - RWTH Aachen University 2021 2022 Physics CC BY 4.0 Attribution Scotti, Andrea Judith Elizabeth Houston Lisa Fruhner Alexis de la Cotte Javier Rojo González Alexander Petrunin Urs Gasser Ralf Schweins Jürgen Allgaier Walter Richtering Alberto Fernandez-Nieves Deutsche Forschungsgemeinschaft (DFG) 0000 0001 2096 9829 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/snmphx276tt041sa2024-11-16T15:38:34Zradar4chem

10.22000/snmphx276tt041sa Seitz, Tobias Tobias Seitz 0009-0003-4039-3953 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Walbeck, Marcel Marcel Walbeck RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Experimental Data to the publication ""Electron transfer kinetics of a series of copper complexes with tripodal tetradentate guanidine quinolinyl ligands" Optimized coordinates otained from DFT calculations, Cyclic Voltammetry measurements and results of stopped-flow UV/Vis spectroscic measurements were deposited. DFT optimized coordinates Stopped-flow UV/Vis spectroscopic measurements cyclic voltammetry RWTH Aachen University 2023-2024 2024 eng Chemistry Optimized coordinates otained from DFT calculations, Cyclic Voltammetry measurements and stopped-flow UV/Vis spectroscic data The stopped-flow measurements were performed with a HI-TECH Scientific SF-61SX2 device with a diode array detector. The optical light path for transmission of the quartz glass cuvette was 10 mm. The measurements were performed with a METROHM AUTOLAB PGSTAT 101 potentiostat using a three-electrode arrangement with a Pt disc working electrode (1 mm diameter), a Pt wire as counter electrode and an Ag/AgCl (in saturated ethanolic LiCl) reference electrode. The measurements were performed in MeCN and 100 mmol/L NBu4PF6 with a sample concentration of 1 mmol/L at room temperature. Ferrocene was added as an internal standard after the measurements of the sample and all potentials are referenced relative to the Fc/Fc+ potential. Cyclic voltammograms were measured with 200 mV·s–1, 100 mV·s–1, 50 mV·s–1 and 20 mV·s–1. Gaussian 16 Chemcraft notepad Kinetic Studio OriginPro 2021b NOVA from Metrohm Autolab CC BY-SA 4.0 Attribution-ShareAlike RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 413524714 https://gepris.dfg.de/gepris/projekt/413524714 Kontrolle des entatischen Zustands durch die gezielte optische Anregung der Ligandensphäre

10.22000/dh0vt37bfcfnyf622024-11-25T07:32:34Zradar4chem

10.22000/dh0vt37bfcfnyf62 Crassous, Jérôme Jérôme Crassous 0000-0002-7434-9024 RWTH Aachen University Dataset belonging to the Publication: "Capillary Driven Self-Assembly of Soft Ellipsoidal Microgels at the Air/Water Interface" This data set includes the dynamic light scattering raw data for the characterization of the particles, raw and processed fluorescent microscopy micrographs used for the analysis of their distribution at the interface and some AFM results. It further includes the data related to Figure 2, 4, 5 and 7 in the main manuscript. Crassous, Jérôme 2024 2024 Physics CC BY 4.0 Attribution RWTH Aachen University Crassous, Jérôme Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/7m1vce62jucq8dvj2024-11-27T09:50:34Zradar4chem

10.22000/7m1vce62jucq8dvj 10.1039/D4SM00950A Strauch, Christian Christian Strauch 0000-0001-9895-3552 RWTH Aachen University Roß, Lars Lars Roß 0009-0009-2518-4700 RWTH Aachen University Schneider, Stefanie Stefanie Schneider 0000-0002-4399-0388 RWTH Aachen University Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations" In this study, the uptake of oppositely charged guest molecules in a pH-responsive polyelectrolyte microgel modeled as a bead-spring network was systematically investigated. For this purpose, Monte Carlo simulations were used. To narrow down system complexity, the guest molecules were modeled as charged hard spheres. Metropolis Monte Carlo simulations Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Cluster CLAIX2018-GPU Microgels drug delivery pH-sensitive Monte Carlo simulations IPC-RWTH Aachen University 2021-2024 2024 eng Chemistry CLAIX2018 Molsim simlab gnuplot VMD CC BY-NC 4.0 Attribution-NonCommercial RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/44bv95gm8ajgc9xf2024-12-02T14:18:34Zradar4chem

10.22000/44bv95gm8ajgc9xf 10.1021/acs.jpcc.4c07479 Leippe, Sophia C. Sophia C. Leippe 0000-0003-2156-0691 Leipzig University Bastian, Björn Björn Bastian 0000-0003-2820-8869 Leipzig University Asmis, Knut R. Knut R. Asmis 0000-0001-6297-5856 Leipzig University Johst, Florian Florian Johst 0000-0002-7594-8440 University of Hamburg Hoffmann, Benjamin Benjamin Hoffmann 0000-0002-1110-7060 Leipzig University Krohn, Sonja Sonja Krohn 0000-0002-8806-656X Fraunhofer IAP-CAN Papagrigoriou, Kleopatra Kleopatra Papagrigoriou 0009-0005-6194-8457 Leipzig University Mews, Alf Alf Mews 0000-0001-5739-8820 University of Hamburg Dataset for Publication "Probing the Temperature of Quantum Dots in a Cryogenic Ion Trap by Fluorescence Spectroscopy" Dataset with emission spectra of CdSe/CdS core/shell quantum dots (QDs) in a single nanoparticle mass spectrometer at trap temperatures from 50 to 300 K. Additional meta information and analysis scripts are included. From the gas phase emission spectra the temperature of the respective QDs is determined, using calibration data of QDs on a surface. A model for the QD temperature in the gas phase is refined based on the experimental results. nanoparticle mass spectrometry nanoparticle temperature modeling split-ring electrode trap Leipzig University 2024 Chemistry CC BY 4.0 Attribution Leipzig University Deutsche Forschungsgemeinschaft 501100001659 461913655 Einzelnanopartikelcharakterisierung in der Gasphase Deutsche Forschungsgemeinschaft 501100001659 443871192 GRK 2721: “Hydrogen Isotopes, 1,2,3H” Deutsche Forschungsgemeinschaft 501100001659 406076438 GRK 2536 NANOHYBRID Hans Böckler Stiftung 501100007440 doctoral research Universität Leipzig 501100008678 Pre-Doc Award program

10.22000/s2myp3gw533d4vq02024-12-05T09:00:34Zradar4chem

10.22000/s2myp3gw533d4vq0 Grimm, Alexander P. Alexander P. Grimm 0000-0002-8423-1708 Karlsruhe Institute of Technology Knox, Stephen T. Stephen T. Knox 0000-0001-5276-0085 University of Leeds Wilding, Clarissa Y. P. Clarissa Y. P. Wilding 0000-0002-2441-9741 University of Leeds Jones, Harry Harry Jones University of Leeds Schmidt, Björn Björn Schmidt Karlsruhe Institute of Technology Piskljonow, Olga Olga Piskljonow Karlsruhe Institute of Technology Voll, Dominik Dominik Voll 0000-0001-8955-2765 Karlsruhe Institute of Technology Schmitt, Christian W. Christian W. Schmitt 0000-0001-9875-5628 Karlsruhe Institute of Technology Warren, Nicholas J. Nicholas J. Warren 0000-0002-8298-1417 Univsersity of Leeds Théato, Patrick Patrick Théato 0000-0002-4562-9254 Karlsruhe Institute of Technology A Versatile Flow Reactor Platform for Machine Learning Guided RAFT Synthesis and Amidation of Poly(pentafluorophenyl acrylate) Théato, Patrick 2024 2024 Chemistry CC BY 4.0 Attribution Théato, Patrick

10.22000/tmd8sges0mdjh9g32024-12-05T09:02:34Zradar4chem

10.22000/tmd8sges0mdjh9g3 Pruthi, Vaishali Vaishali Pruthi 0000-0002-3148-7873 Karlsruhe Institute of Technology Azobenzene-enhanced 3D printed complex hydrogels: Unlocking light and pH responsiveness in Polyelectrolyte-based networks Théato, Patrick 2024 2024 Chemistry CC BY 4.0 Attribution Théato, Patrick

10.22000/4bh51mv09m2hr1b22024-12-05T09:02:40Zradar4chem

10.22000/4bh51mv09m2hr1b2 Grimm, Alexander Alexander Grimm 0000-0002-8423-1708 Karlsruhe Institute of Technology Deng, Bijian Bijian Deng Karlsruhe Institute of Technology Haridas, Shyamkumar V. Shyamkumar V. Haridas University of Ulm Voll, Dominik Dominik Voll 0000-0001-8955-2765 Karlsruhe Institute of Technology Schmitt, Christian W. Christian W. Schmitt 0000-0001-9875-5628 Karlsruhe Institute of Technology von Delius, Max Max von Delius 0000-0003-1852-2969 University of Ulm Scheiba, Frieder Frieder Scheiba 0000-0001-7275-3077 Karlsruhe Insitute of Technology Théato, Patrick Patrick Théato 0000-0002-4562-9254 Karlsruhe Institute of Technology Inverse Vulcanization of All-cis-fluorinated Cyclohexylacrylate: Tailored Polymer Design for Li-S Battery Cathode Materials Théato, Patrick 2024 2024 Chemistry CC BY 4.0 Attribution Théato, Patrick

10.22000/xDcYWFOWxjiIYwUn2024-12-06T18:20:34Zradar4chem

10.22000/xDcYWFOWxjiIYwUn Zikode, Mnqobi Mnqobi Zikode 0000-0002-6504-8262 School of Chemistry and Physics, University of KwaZulu-Natal, Pietermaritzburg Campus, Private Bag X01, Pietermaritzburg 3209, South Africa Fuchs, Martin Martin Fuchs RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Langletz, Tim Tim Langletz 0000-0002-4174-8547 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Burkart, Lisa Lisa Burkart RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany Ojwach, Stephen O. Stephen O. Ojwach 0000-0001-5309-4926 School of Chemistry and Physics, University of KwaZulu-Natal, Pietermaritzburg Campus, Private Bag X01, Pietermaritzburg 3209, South Africa Experimental Data to the publication "Mononuclear and multinuclear O^N^O-donor Zn(II) complexes as robust catalysts for the production and depolymerization of poly(lactide)" Raman spectroscopic data and information of the determination of the kinetics of the polymerisation and NMR spectroscopic data and information of the kinetics of the depolymerisation experiments were deposited. NMR spectroscopy lactide polymerisation depolymerisation Raman spectroscopy RWTH Aachen University 2022-2024 2024 eng Chemistry Materials Science NMR and Raman spectroscopic experimental data Bruker Acance II (400 MHz) Bruker Avance III (400 MHz) RXN1 spectrometer of Kaiser Optical System with a 785 nm laser TOPSPIN iC Raman TOPSPIN PEAXACT MestReNova CC BY-SA 4.0 Attribution-ShareAlike RWTH Aachen University NRF-South Africa-ERTTG 501100001321 151521 DST-NRF-South Africa-CPRR 501100001321 SRUG200408511611 RWTH Aachen University https://ror.org/04xfq0f34 Advanced Research Opportunities Program (AROP)

10.22000/gDDeJtniERRQmiOx2024-12-17T09:44:41Zradar4chem

10.22000/gDDeJtniERRQmiOx 10.1039/D4SM00862F 10.5291/ILL-DATA.9-13-985 10.5291/ILL-DATA.9-11-1855 Petrunin, Alexander V. Alexander V. Petrunin 0000-0002-9140-7222 RWTH Aachen University Höfken, Tom Tom Höfken 0000-0002-7429-0843 RWTH Aachen University Schneider, Stefanie Stefanie Schneider 0000-0002-4399-0388 RWTH Aachen University Mota-Santiago, Pablo Pablo Mota-Santiago 0000-0002-1537-4318 Australian Synchrotron, ANSTO Houston, Judith E. Judith E. Houston 0000-0001-5205-3620 European Spallation Source Scotti, Andrea Andrea Scotti 0000-0002-8988-330X Lund University Dataset belonging to the publication: "Phase behavior of binary mixtures of hollow and regular microgels" Raw and processed data for: Dynamic and Static Light Scattering, Small-angle Neutron Scattering, Small-angle X-ray Scattering (for binary mixtures), Capillary Viscosimetry, Shear Rheology, Photographs of Sample vials. Molecular dynamics simulation: LAMMPS input and data files for regular and hollow microgels, raw data for biased umbrella sampling (distances) and processed data for concentrated binary mixtures (volumes). Small-Angle X-ray Scattering (SAXS) Rheology Molecular dynamics simulation Viscometry Dynamic Light Scattering (DLS) Small-Angle Neutron Scattering (SANS) microgels scattering molecular dynamics simulation colloidal crystals hollow microgels RWTH Aachen University 2024 2024 eng Chemistry Physics CoSAXS beamline at the 3 GeV ring of the MAX-IV Laboratory (Lund, Sweden) D11 SANS beamline at ILL (Grenoble, France) Multi-angle DLS: ALV/CGS-3 Compact Goniometer System with an ALV/LSE 5004 Tau Digital Correlator DHR-3 rheometer (TA instruments) Static Light Scattering instrument (SLS-Systemtechnik GmbH) Ubbelohde viscometer 0c (SI Analytics) and Lauda iVisc measuring stand LAMMPS CC BY 4.0 Attribution RWTH Aachen University Scotti, Andrea Schneider, Stefanie Petrunin, Alexander Höfkin, Tom Houston, Judith E. Mota-Santiago, Pablo Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/r3rtjpe1b5w7zbzw2024-12-17T10:36:34Zradar4chem

10.22000/r3rtjpe1b5w7zbzw Döpping, Daniel Daniel Döpping 0000-0003-1118-1970 KIT - ITCP Revisiting Polymer Coatings on Nanoparticles: Correlation between Molecular Weight and Coating Thickness in Semi-Controlled Polymerizations Döpping, Daniel 2024 2024 Chemistry CC BY-NC 4.0 Attribution-NonCommercial Döpping, Daniel

10.22000/ab0bmuwhdgfs0tqq2025-01-08T22:08:34Zradar4chem

10.22000/ab0bmuwhdgfs0tqq Seitz, Tobias Tobias Seitz 0009-0003-4039-3953 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen Karabulut, Aylin Aylin Karabulut RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen Experimental Data to the publication "The Golden Goal of Entatic State Model Design: Lowering the Internal Reorganization Energy Leads to Exponential Increase in Electron Transfer Rate" Cyclic voltammetric data, UV/Vis spectroscopic data and DFT optimized structures of the complexes are deposited. electron transfer guanidine complexes electron self-exchange copper complexes RWTH Aachen University 2023-2024 2025 eng Chemistry The measurements were performed with a METROHM AUTOLAB PGSTAT 101 potentiostat using a three-electrode arrangement with a Pt disc working electrode (1 mm diameter), a Pt wire as counter electrode and an Ag/AgCl (in saturated ethanolic LiCl) reference electrode. The measurements were performed in MeCN and 100 mmol/L NBu4PF6 with a sample concentration of 1 mmol/L at room temperature. Ferrocene was added as an internal standard after the measurements of the sample and all potentials are referenced relative to the Fc/Fc+ potential. Cyclic voltammograms were measured with 200 mV s –1, 100 mV s –1, 50 mV s –1 and 20 mV s –1. The stopped-flow measurements were performed with a HI-TECH Scientific SF-61SX2 device with a diode array detector. The optical light path for transmission of the quartz glass cuvette was 10 mm. The mixing time is given by HI-TECH to amount to 2 ms. UV/Vis spectra in a wavelength range of 300 nm to 800 nm were detected with temporal resolutions of 0.75 to 7.5 s. NOVA OriginPro TgK Scientific program Kinetic Studio Gaussian 16 Chemcraft conformer-rotamer ensemble sampling tool (CREST) CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 413524714 https://gepris-extern.dfg.de/gepris/projekt/413524714?language=en Control of the entatic state by targeted optical excitation of the ligand sphere

10.22000/bz5d2qgxvpv64m4u2025-02-03T12:44:33Zradar4chem

10.22000/bz5d2qgxvpv64m4u Beine, Anna Katharina Anna Katharina Beine 0000-0002-4575-6093 Universität Siegen Heteropolyacids and Ruthenium on Covalent Triazine Frameworks - A Bifunctional, Recyclable Catalyst for Bio-based Tandemsystems Beine, Katharina 2024 2025 Chemistry All rights reserved Beine, Katharina

10.22000/pmprxn5p2syh0rrq2025-02-17T14:16:34Zradar4chem

10.22000/pmprxn5p2syh0rrq Koenig, Burkhard Burkhard Koenig 0000-0002-6131-4850 Naphthohydroquinone manuscript primary research data Koenig, Burkhard 2024 2025 Chemistry NMR spectroscopic data, Mass spectroscopic data CC BY 4.0 Attribution University of Regensburg

10.22000/be0havevp6fzgdk12025-02-25T13:00:35Zradar4chem

10.22000/be0havevp6fzgdk1 Reiser, Oliver Oliver Reiser https://orcid.org/0000-0003-1430-573X University of Regensburg Catalyst-Free, Scalable, Green-Light-Mediated Iodoamination and Further Transformation of Olefins under Continuous Flow Conditions Oliver Reiser 2023-2025 2025 Chemistry CC BY 4.0 Attribution Oliver Reiser

10.22000/xbhtmsgkufv96vpg2025-02-26T15:40:34Zradar4chem

10.22000/xbhtmsgkufv96vpg Müller, Laurentia Laurentia Müller 0009-0002-1202-8505 On-Surface Synthesis and Characterization of Pentadecacene and its Gold Complexes Holger F. Bettinger 2025 2025 Chemistry CC BY 4.0 Attribution Holger F. Bettinger Laurentia Müller HORIZON EUROPE European Research Council 100019180 101071420 TACY

10.22000/h94xprahzhkpsea02025-02-27T14:24:34Zradar4chem

10.22000/h94xprahzhkpsea0 Zirwick, Maren Maren Zirwick 0009-0001-0480-1548 University of Tübingen Peri-Tetracene from 1,1′-Bitetracene: Zipping up Structurally Defined Graphene Nanoribbons Bettinger, Holger 2025 2025 Chemistry CC BY 4.0 Attribution Bettinger, Holger Zirwick, Maren

10.22000/ch74tgy3nje038x12025-03-19T13:44:34Zradar4chem

10.22000/ch74tgy3nje038x1 Roesky, Peter Peter Roesky 0000-0002-0915-3893 Karlsruhe Institute of Technology Cedric, Cedric Cedric Cedric 0000-0001-5689-6334 Karlsruhe Institute of Technology Münzfeld, Luca Luca Münzfeld 0000-0001-5678-8560 Karlsruhe Institute of Technology Hauser, Adrian Adrian Hauser 0000-0001-8633-544X Karlsruhe Institute of Technology Gillhuber, Sebastian Sebastian Gillhuber 0000-0002-2135-0208 Karlsruhe Institute of Technology Hädinger, Pauline Pauline Hädinger 0000-0001-8891-8294 Karlsruhe Institute of Technology Leskov, Maxim Maxim Leskov Karlsruhe Institute of Technology Weigend, Florian Florian Weigend 0000-0001-5060-1689 Karlsruhe Institute of Technology A Novel Synthetic Pathway to Lanthanide Triple-Decker Complexes Karlsruhe Institute of Technology 2025 2025 Chemistry CC BY 4.0 Attribution Karlsruhe Institute of Technology Deutsche Forschungsgemeinschaft 0000 0001 2096 9829 471424360

10.22000/bfcgd6zhx6uu861n2025-03-25T15:38:34Zradar4chem

10.22000/bfcgd6zhx6uu861n Theato, Patrick Patrick Theato 0000-0002-4562-9254 KIT Versatile Solvent-free Synthesis Platform for Thin High Performance CPEs Döpping, Daniel 2025 2025 Chemistry CC BY-NC 4.0 Attribution-NonCommercial Döpping, Daniel

10.22000/aygcxy5kjzu130uy2025-04-04T10:04:34Zradar4chem

10.22000/aygcxy5kjzu130uy Birnthaler, Dominik Dominik Birnthaler University of Regensburg Taskinen, Elina Elina Taskinen University of Regensburg König, Burkhard Burkhard König University of Regensburg Primary_Data for Preassembly-Controlled Radical Recombination at Bismuth: Decarboxylative C–N Coupling with Sulfonamides Will be modified after peer-review Will be modified after peer-review König, Burkhard 2024 2025 Chemistry CC BY 4.0 Attribution University of Regensburg

10.22000/zpgp7q6cq9bz51tx2025-04-04T10:06:34Zradar4chem

10.22000/zpgp7q6cq9bz51tx Koenig, Burkhard Burkhard Koenig 0000-0002-6131-4850 ESI Merocyanine-Based Photoacids as Recyclable Catalysts in Visible-Light-Driven Transformations Koenig, Burkhard 2024 2025 Chemistry NMR Spektroskopische Daten CC BY 4.0 Attribution University of Regensburg

10.22000/2nc173tq9xecmy1u2025-04-10T12:28:34Zradar4chem

10.22000/2nc173tq9xecmy1u 10.1021/jacs.5c02483 Pflaum, Niklas Niklas Pflaum Technical University of Munich Pauls, Mike Mike Pauls 0009-0004-3962-9639 RWTH Aachen University Kumar, Ajeet Ajeet Kumar Technical University of Munich Kutta, Roger Jan Roger Jan Kutta 0000-0003-3368-9863 University of Regensburg Nuernberger, Patrick Patrick Nuernberger 0000-0002-4690-0229 University of Regensburg Hauer, Jürgen Jürgen Hauer 0000-0002-6874-6138 Technical University of Munich Bannwarth, Christoph Christoph Bannwarth 0000-0003-3242-496X RWTH Aachen University Bach, Thorsten Thorsten Bach 0000-0002-1342-0202 Technical University of Munich Dataset for "Oxetane Cleavage Pathways in the Excited State: Photochemical Kinetic Resolution as an Approach to Enantiopure Oxetanes" The dataset comprises analytical data for the characterization of the synthesized compounds, computational studies and data from transient absorption spectroscopy. HPLC, HRMS, IR, Luminescence, NMR, UV-Vis, CV, Computational Studies, Transient Absorption Spectroscopy Technical University of Munich RWTH Aachen University University of Regensburg 2024-2025 2025 eng Chemistry CC BY 4.0 Attribution Pflaum, Niklas Pauls, Mike Kumar, Ajeet Kutta, Roger Jan Nuernberger, Patrick Hauer, Jürgen Bannwarth, Christoph Bach, Thorsten Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 444632635 https://gepris.dfg.de/gepris/projekt/444632635 TRR 325: Assembly Controlled Chemical Photocatalysis

10.22000/j80kn6cses15pn7x2025-04-17T12:42:35Zradar4chem

10.22000/j80kn6cses15pn7x Schöntag, Johannes Johannes Schöntag 0000-0002-6427-3142 University of Tübingen Bettinger, Holger F. Holger F. Bettinger 0000-0001-5223-662X University of Tübingen Scheele, Marcus Marcus Scheele 0000-0002-2704-3591 University of Tübingen Zwettler, Kathrin Kathrin Zwettler 0009-0002-9377-6205 Frech, Philipp Philipp Frech 0000-0002-0978-795X Somani, Ankit Ankit Somani 0000-0001-6966-2780 Fardan, Navid Navid Fardan 0000-0002-9467-9389 Seitz, Michael Michael Seitz 0000-0002-9313-2779 Ströbele, Markus Markus Ströbele 0000-0002-5147-5677 Leis, Wolfgang Wolfgang Leis 0000-0002-3481-0912 The Dark State of Heptacene NMR, EPR and optical data for Publication: The Dark State of Heptacene Bettinger, Holger F. 2025 2025 Chemistry CC BY 4.0 Attribution Schöntag, Johannes Holger F., Bettinger Scheele, Marcus European Research Council 501100000781 101071420 TACY

10.22000/2pbrutk9aq6s1t0y2025-04-23T13:28:34Zradar4chem

10.22000/2pbrutk9aq6s1t0y 10.1002/anie.202501433 Stierle, Max Max Stierle Technical University of Munich Jaschke, Constantin Constantin Jaschke Ludwig-Maximilians-Universität München Grenda, Daniel J. Daniel J. Grenda University of Regensburg Peschel, Martin Martin Peschel Ludwig-Maximilians-Universität München Pickl, Thomas Thomas Pickl Technical University of Munich Gessner, Niklas Niklas Gessner University of Regensburg Nuernberger, Patrick Patrick Nuernberger 0000-0002-4690-0229 University of Regensburg Fingerhut, Benjamin P. Benjamin P. Fingerhut 0000-0002-8532-6899 Ludwig-Maximilians-Universität München Ochsenfeld, Christian Christian Ochsenfeld 0000-0002-4189-6558 Ludwig-Maximilians-Universität München de Vivie-Riedle, Regina Regina de Vivie-Riedle 0000-0002-7877-5979 Ludwig-Maximilians-Universität München Bach, Thorsten Thorsten Bach 0000-0002-1342-0202 Technical University of Munich Dataset for "Enantioselective Photochemical Generation of a Short-Lived, Twisted Cycloheptenone Isomer: Catalytic Formation, Detection, and Consecutive Chemistry" The dataset comprises analytical data for the characterization of the synthesized compounds, computational studies and data from transient IR spectroscopy. HPLC, HRMS, IR, Luminescence, NMR, UV-Vis, Computational Studies, Transient IR Spectroscopy Technical University of Munich Ludwig-Maximilians-Universität München University of Regensburg 2022-2024 2025 eng Chemistry CC BY 4.0 Attribution Stierle, Max Jaschke, Constantin Grenda, Daniel J. Peschel, Martin Pickl, Thomas Gessner, Niklas Nuernberger, Patrick Fingerhut, Benjamin P. Ochsenfeld, Christian de Vivie-Riedle, Regina Bach, Thorsten Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 444632635 https://gepris.dfg.de/gepris/projekt/444632635 TRR 325: Assembly Controlled Chemical Photocatalysis

10.22000/uju3k58znj7ahhm72025-05-05T13:44:35Zradar4chem

10.22000/uju3k58znj7ahhm7 Roesky, Peter Peter Roesky 0000-0002-0915-3893 Karlsruhe Institute of Technology Gillhuber, Sebastian Sebastian Gillhuber 0000-0002-2135-0208 Karlsruhe Institute of Technology Finch, Alicia K. Alicia K. Finch Karlsruhe Institute of Technology Holloway, Joshua O. Joshua O. Holloway 0000-0002-6631-5502 Queensland University of Technology Frisch, Hendrik Hendrik Frisch 0000-0001-8490-5082 Queensland University of Technology Weigend, Florian Florian Weigend 0000-0001-5060-1689 Karlsruhe Institute of Technology Barner-Kowollik, Christopher Christopher Barner-Kowollik 0000-0002-6745-0570 Queensland University of Technology Introducing Photochemical Action Plots as a Tool for Unlocking On-Off Switchable Behavior in a Polymeric Eosin Y Photocatalyst Queensland University of Technology Karlsruhe Institute of Technology 2025 2025 Chemistry CC BY 4.0 Attribution Queensland University of Technology Karlsruhe Institute of Technology

10.22000/hu6agwk1qnzxc1e72025-05-05T14:10:34Zradar4chem

10.22000/hu6agwk1qnzxc1e7 Roesky, Peter Peter Roesky 0000-0002-0915-3893 Frick, David David Frick Karlsruhe Institute of Technology (KIT) Poss, Elena Elena Poss Karlsruhe Institute of Technology (KIT) Köppe, Ralf Ralf Köppe 0000-0002-0492-0803 Synthesis of molecular organo-f-element-polyphosphides with non-classical divalent lanthanide precursors Karlsruhe Institute of Technology 2025 2025 Chemistry CC BY 4.0 Attribution Karlsruhe Institute of Technology Deutsche Forschungsgemeinschaft 0000 0001 2096 9829 471424360 CRC 1573

10.22000/t2xxwp6w3hk9tmf32025-05-06T20:16:35Zradar4chem

10.22000/t2xxwp6w3hk9tmf3 10.22000/ycx77xj3ue717uxc Koenig, Burkhard Burkhard Koenig 0000-0002-6131-4850 Photoelectrochemical Synthesis of Benzo[b]phosphole Oxides via Sequential P–H/C–H Bond Functionalizations - Correction Koenig, Burkhard 2024 2025 Chemistry NMR Spektroskopische Daten CC BY 4.0 Attribution University of Regensburg

10.22000/ycx77xj3ue717uxc2025-05-07T11:32:49Zradar4chem

10.22000/ycx77xj3ue717uxc 10.22000/t2xxwp6w3hk9tmf3 Koenig, Burkhard Burkhard Koenig 0000-0002-6131-4850 Photoelectrochemical Synthesis of Benzo[b]phosphole Oxides via Sequential P–H/C–H Bond Functionalizations Koenig, Burkhard 2024 2025 Chemistry NMR Spektroskopische Daten CC BY 4.0 Attribution University of Regensburg

10.22000/h75gdvfp2xbwyejz2025-06-04T07:24:36Zradar4chem

10.22000/h75gdvfp2xbwyejz Langletz, Tim Tim Langletz 0000-0002-4174-8547 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany and Bioeconomy Science Center (BioSC), Forschungszentrum Jülich GmbH, 52425 Jülich Edinger, Medea Medea Edinger 0009-0007-7964-6582 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074 Aachen, Germany and Bioeconomy Science Center (BioSC), Forschungszentrum Jülich GmbH, 52425 Jülich Experimental data to the publication "From Biomass to Polymers: Kinetic Analysis and Sustainable Synthesis of Lignin-Polycaprolactone Copolymers " NMR spectroscopic data and SEC data for the synthesis of Lignin-Polycaprolactone Copolymers were deposited. NMR spectroscopy SEC data lignin polymerization RWTH Aachen University 2024-2025 2025 eng Chemistry Materials Science NMR spectroscopic data and SEC experimental data Bruker Avance II (400 MHz) Bruker Avance III (400 MHz) Viscotek GPCmax VE-2001 with a flow rate of 1 ml min-1 at 25 °C with THF as mobile phase. The system was equipped with two Malvern Viscotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 Å and 5000 Å, a HPLC pump, a refractive index detector (VE-3580), and a viscometer (Viscotek 270 Dual detector). The results were evaluated using a conventional calibration using polystyrene standards. The respective molecular weights are given in polystyrene equivalents. Topspin TopSpin Omnisec MestReNova CC BY-NC 4.0 Attribution-NonCommercial RWTH Aachen University Bioeconomy Science Center https://www.biosc.de/ The scientific activities of the Bioeconomy Science Center were financially supported by the Ministry of Innovation, Science and Research within the framework of the NRW Strategieprojekt BioSC (no. 313/323-400-002 13). LignoTex

10.22000/zgtg8amdnqjq6mm62025-06-04T17:54:36Zradar4chem

10.22000/zgtg8amdnqjq6mm6 10.1039/d5sm00237k Kratzenberg, Timon Timon Kratzenberg 0000-0003-4559-5127 RWTH Aachen University Schog, Simon Simon Schog 0000-0002-1591-6834 RWTH Aachen University Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University Schulte, M. Friederike M. Friederike Schulte 0000-0002-9411-242X University of Münster Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Dataset belonging to the publication: ""Investigation of microgel monolayers with the colloidal probe technique: how concentration and temperature allow tuning the properties of a microgel coating" Raw and processed Force Volume measurement of PNIPAM-co-APMH microgels and microgel monolayers at the solidl-liquid interface AFM - Force Spectroscopy Data SPM-Bruker file format microgels force spectroscopy AFM PNIPAM-co-APMH RWTH Aachen University 2023-2025 2025 eng Chemistry Dimension Icon AFM Bruker Data were analysed with a custom App designed to analyse force spectroscopy data CC BY 4.0 Attribution Kratzenberg, Timon Richtering, Walter RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/r6fh8r7g1gdadj4q2025-07-06T22:12:36Zradar4chem

10.22000/r6fh8r7g1gdadj4q Reiser, Oliver Oliver Reiser 0000-0003-1430-573X Universität Regensburg Copper(II)-Photocatalyzed Radical Anellation of Nitroalkanes with Alkenes or Alkynes for the Synthesis of Isoxazolines and Isoxazoles Reiser, Oliver 2025 2025 Chemistry CC BY 4.0 Attribution Reiser, Oliver

10.22000/tk02zqa61419y4gj2025-07-11T08:22:35Zradar4chem

10.22000/tk02zqa61419y4gj 10.1021/jacs.5c07524 Zhou, Chao Chao Zhou 0000-0003-4942-8422 Technical University of Munich Bach, Thorsten Thorsten Bach 0000-0002-1342-0202 Technical University of Munich Dataset for "Kinetic Resolution of Heterocyclic Lactams by a Photocatalytic Cobalt-Catalyzed Dehydrogenation" The dataset comprises analytical data for the characterization of the synthesized compounds. HPLC, HRMS, IR, NMR, GLC-FID Technical University of Munich 2023-2025 2025 eng Chemistry CC BY 4.0 Attribution Zhou, Chao Bach, Thorsten HORIZON EUROPE Marie Sklodowska-Curie Actions 100018694 101103744 — ENCHFATCS https://rea.ec.europa.eu/funding-and-grants/horizon-europe-marie-sklodowska-curie-actions/msca-postdoctoral-fellowships_en MSCA Postdoctoral Fellowship

10.22000/ffagf4wz475p163v2025-07-24T07:32:35Zradar4chem

10.22000/ffagf4wz475p163v Weis, Patrick Patrick Weis 0000-0001-7006-6759 ejic.202500258_raw_data.zip Karlsruhe Institute of Technology 2025 2025 Chemistry All rights reserved Karlsruhe Institute of Technology

10.22000/yumhgwcj7vv1q3py2025-07-31T11:24:35Zradar4chem

10.22000/yumhgwcj7vv1q3py 10.1039/D5NR01053E Prykhodska, Sofiia Sofiia Prykhodska 0009-0008-7109-3562 FSU Jena Oschatz, Martin Martin Oschatz 0000-0003-2377-1214 FSU Jena Schutjajew, Konstantin Konstantin Schutjajew 0000-0003-0630-8201 FSU Jena/HIPOLE Jena Kalder, Laura Laura Kalder 0000-0002-1228-3277 University of Tartu, Institute of Chemistry Troschke, Erik Erik Troschke 0000-0002-7457-3536 FSU Jena Hermesdorf, Marius Marius Hermesdorf 0009-0008-1622-729X FSU Jena Leistenschneider, Desirée Desirée Leistenschneider 0000-0001-8991-1553 FSU Jena Langenhorst, Falko Falko Langenhorst 0000-0003-4892-7713 FSU Jena Härk, Eneli Eneli Härk 0000-0001-5758-8106 Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH Dataset for: "Controlling the structure and sodium storage properties of glucose-derived hard carbons by pre-carbonization heating rate" Oschatz, Martin FSU Jena 2025 2025 Chemistry CC BY 4.0 Attribution Oschatz, Martin FSU Jena

10.22000/9hrnmuxvrz8x396x2025-08-01T12:32:34Zradar4chem

10.22000/9hrnmuxvrz8x396x 20250708 10.1002/celc.202500241 Haagen, Ulrich Ulrich Haagen 0009-0004-9541-9257 FSU Jena Oschatz, Martin Martin Oschatz 0000-0003-2377-1214 FSU Jena Schutjajew, Konstantin Konstantin Schutjajew 0000-0003-0630-8201 FSU Jena/HIPOLE Jena Mirmasoomi, Seyedrashid Seyedrashid Mirmasoomi 0009-0005-8837-3139 FSU Jena Hetze, Kai Kai Hetze 0009-0005-7190-6234 FSU Jena/HIPOLE Jena Cao, Sijia Sijia Cao Helmholtz-Zentrum Berlin für Materialien und Energie Institute of Electrochemical Energy Storage Lu, Yan Yan Lu 0000-0003-3055-0073 Helmholtz-Zentrum Berlin für Materialien und Energie Institute of Electrochemical Energy Storage Schutjajew, Konstantin Konstantin Schutjajew 0000-0003-0630-8201 FSU Jena/HIPOLE Jena Dataset for: Controlling and Understanding the Impact of Closed Pore Size on Na -Storage in Hard Carbons via Controlled Pyrolysis of Molecular Precursors Oschatz, Martin FSU Jena 2025 2025 Chemistry Raw Data to Publication CC BY 4.0 Attribution Oschatz, Martin

10.22000/9u796r4u38ze7bvu2025-08-01T14:50:34Zradar4chem

10.22000/9u796r4u38ze7bvu ITUC-1 10.1002/smll.202501928 Ayyildiz, Merve Merve Ayyildiz 0009-0009-6439-3417 FSU Jena Oschatz, Martin Martin Oschatz 0000-0003-2377-1214 FSU Jena Hetze, Kai Kai Hetze 0009-0005-7190-6234 FSU Jena/HIPOLE Jena Schutjajew, Konstantin Konstantin Schutjajew 0000-0003-0630-8201 FSU Jena/HIPOLE Jena Paulus, Renzo, M. Renzo, M. Paulus Helmholtz Zentrum Berlin (HZB) Poudel, Purushottam Purushottam Poudel 0000-0002-2452-2634 FSU Jena/HIPOLE Jena Schacher, Felix Helmut Felix Helmut Schacher 0000-0003-4685-6608 FSU Jena/HIPOLE Jena Schubert, Ulrich Sigmar Ulrich Sigmar Schubert 0000-0003-4978-4670 FSU Jena/HIPOLE Jena Dellith, Jan Jan Dellith 0009-0008-0930-4437 Department Competence Center for Micro- and Nanotechnologies Leibniz Institute of Photonic Technology Dataset for: "Understanding the interplay between pore structure and ionic liquid interaction on the gas uptake of microporous carbons" Oschatz, Martin FSU Jena 2025 2025 Chemistry CC BY 4.0 Attribution Oschatz, Martin

10.22000/v6xz4wsadaj3tjk42025-08-06T12:58:34Zradar4chem

10.22000/v6xz4wsadaj3tjk4 Roesky, Peter Peter Roesky 0000-0002-0915-3893 Karlsruhe Institute of Technology Iqbal, Mohd Mohd Iqbal Naina, Vanitha Vanitha Naina 0000-0001-6898-557X Karlsruhe Institute of Technology Sun, Xiaofei Xiaofei Sun 0000-0003-1675-5523 Karlsruhe Institute of Technology Shubham, Shubham Shubham Shubham Karlsruhe Institute of Technology Alkali Metal Complexes of a Phosphine−Functionalized Cyclooctatetraene Karlsruhe Institute of Technology 2025 2025 Chemistry CC BY 4.0 Attribution Karlsruhe Institute of Technology Deutsche Forschungsgemeinschaft 501100001659 471424360 CRC 1573 "4f for Future"

10.22000/qg2e8yckr7kjtj5b2025-08-07T10:10:34Zradar4chem

10.22000/qg2e8yckr7kjtj5b Ke, Jinbo Jinbo Ke 0009-0005-3642-0677 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1A, 52074 Aachen, Germany Conen, Niclas Niclas Conen Fluid Process Engineering (AVT.FVT), RWTH Aachen University, Forckenbeckstraße 51, 52074 Aachen, Germany Latz, Filip Filip Latz Fluid Process Engineering (AVT.FVT), RWTH Aachen University, Forckenbeckstraße 51, 52074 Aachen, Germany Fuchs, Martin Martin Fuchs Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1A, 52074 Aachen, Germany Neumann, Jan Niclas Jan Niclas Neumann Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1A, 52074 Aachen, Germany Hoffmann, Alexander Alexander Hoffmann 0000-0002-9647-8839 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1A, 52074 Aachen, Germany Jupke, Andreas Andreas Jupke 0000-0001-6551-5695 Fluid Process Engineering (AVT.FVT), RWTH Aachen University, Forckenbeckstraße 51, 52074 Aachen, Germany Herres-Pawlis, Sonja Sonja Herres-Pawlis 0000-0002-4354-4353 Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1A, 52074 Aachen, Germany Experimental Data to the publication "Advancing Tools for Advancing Catalysts – Expanding the Understanding of Non-Toxic Zn Guanidine Catalysts for the Ring Opening Polymerization of Lactide towards Industrial Application with Model-Based Analysis" Further NMR spectroscopic date, SEC data and Raman spectroscopic data for the ring opening polymeisation of lactide with a non toxic Zn catalyst were deposited. NMR spectroscopy lactide polymerisation Raman spectroscopy Size Exclusion chromatography RWTH Aachen University 2024-2025 2025 eng Chemistry Materials Science NMR, SEC and Raman spectroscopic experimental data Bruker Avance II (400MHz) NMR spectrometer Bruker Avance III (400MHz) NMR spectrometer GPCmax VE-2001 from Viscotek: two Malvern Viscotek T columns (porous styrene divinylbenzene copolymer) with a maximum pore size of 500 and 5000Å, a refractive index detector (VE-3580), and a viscometer (Viscotek 270 Dual Detector) RXN1 spectrometer of Kaiser Optical System with a 785nm laser TOPSPIN TOPSPIN MestReNova Omnisec iC Raman PEAXACT CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike RWTH Aachen University Volkswagen Foundation 501100001663 CIRCON - Circular materials innovation platform for continuous polymerization of novel materials and closed-loop lifecycle testing

10.22000/n8gp2quef7zz5vcf2025-08-07T14:04:35Zradar4chem

10.22000/n8gp2quef7zz5vcf Schmitt, Christian Christian Schmitt 0000-0001-9875-5628 Karlsruher Institut für Technologie Yousefshahi, Sara Sara Yousefshahi Pohl, Eric Eric Pohl Karlsruher Institut für Technologie Sehn, Timo Timo Sehn Karlsruher Institut für Technologie Jungbluth, Marcel Marcel Jungbluth 0000-0003-3640-5328 Technische Universität Clausthal Huber, Birgit Birgit Huber Karlsruher Institut für Technologie Klein, Christopher Christopher Klein Karlsruher Institut für Technologie Beuermann, Sabine Sabine Beuermann 0000-0003-4903-5717 Technische Universität Clausthal Meier, Michael Michael Meier 0000-0001-7042-7606 Karlsruher Institut für Technologie Schepers, Ute Ute Schepers 0000-0002-2736-6200 Karlsruher Institut für Technologie Théato, Patrick Patrick Théato 0000-0002-4562-9254 Karlsruher Institut für Technologie 3D-Printed Hydrogels from Recycled Cellulose for Biomedical Applications Cellulose Recycling Hydrogel DLP Printing Wound Healing Schmitt, Christian 2025 2025 Chemistry CC BY 4.0 Attribution Schmitt, Christian

10.22000/yt84fag5h2kgzadz2025-08-11T11:58:34Zradar4chem

10.22000/yt84fag5h2kgzadz Daumann, Lena Lena Daumann 0000-0003-2197-136X HHU Data for Publication: The Elusive Chemistry of Pyrroloquinoline Quinone Dimethyl Ester Lanthanide Complexes in Biomimetic Alcohol Oxidation Daumann, Lena 2023-2025 2025 Chemistry CC BY-NC 4.0 Attribution-NonCommercial Daumann, Lena

10.22000/8pmhqrnnewhqj0us2025-08-12T08:36:35Zradar4chem

10.22000/8pmhqrnnewhqj0us Roesky, Peter Peter Roesky 0000-0002-0915-3893 Karlsruhe Institute of Technology Sun, Xiaofei Xiaofei Sun 0000-0003-1675-5523 Karlsruhe Institute of Technology Jin, Da Da Jin Karlsruhe Institute of Technology Yadav, Ravi Ravi Yadav Karlsruhe Institute of Technology Kraetschmer, Frederic Frederic Kraetschmer Karlsruhe Institute of Technology Köppe, Ralf Ralf Köppe 0000-0002-0492-0803 Karlsruhe Institute of Technology On demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes Karlsruhe Institute of Technology 2025 2025 Chemistry CC BY 4.0 Attribution Karlsruhe Institute of Technology

10.22000/9tz9nn9r57bmh7sd2025-08-12T08:44:34Zradar4chem

10.22000/9tz9nn9r57bmh7sd Roesky, Peter Peter Roesky 0000-0002-0915-3893 Karlsruhe Institute of Technology Kebernik, Steven Steven Kebernik Karlsruhe Institute of Technology Krätschmer, Frederic Frederic Krätschmer Karlsruhe Institute of Technology Sun, Xiaofei Xiaofei Sun 0000-0003-1675-5523 Karlsruhe Institute of Technology Luminescent Ionic Heterobimetallic Diphosphine-β-diketiminate Complexes Karlsruhe Institute of Technology 2025 2025 Chemistry CC BY 4.0 Attribution Karlsruhe Institute of Technology Deutsche Forschungsgemeinschaft 501100001659 540378534

10.22000/dfqzn3tat216pyzy2025-08-12T18:28:36Zradar4chem

10.22000/dfqzn3tat216pyzy 10.17877/TUDODATA-2025-M6KPZZGR https://gitlab.tu-dortmund.de/kast_ccb/eurosampl/challenge Kast, Stefan M. Stefan M. Kast 0000-0001-7346-7064 TU Dortmund University Tielker, Nicolas Nicolas Tielker 0000-0003-0974-8739 TU Dortmund University Lim, Michel Michel Lim 0009-0000-9938-681X Johannes Gutenberg University Mainz Kibies, Patrick Jascha Patrick Jascha Kibies 0000-0002-9358-0600 TU Dortmund University Gretz, Juliana Juliana Gretz 0009-0008-2084-1735 Ruhr University Bochum Hein-Janke, Björn Björn Hein-Janke 0000-0003-0782-4427 University of Göttingen Chodun, Christian Christian Chodun 0000-0003-1373-9771 TU Dortmund University Mata, Ricardo A. Ricardo A. Mata 0000-0002-2720-3364 University of Göttingen Czodrowski, Paul Paul Czodrowski 0000-0002-7390-8795 Johannes Gutenberg University Mainz euroSAMPL1 challenge data and analysis The euroSAMPL1 challenge was devoted to the prediction of aqueous pKa values of small drug-like molecules provided as SMILES strings and, as a novel challenge component, included a peer evaluation of submissions concerning FAIR criteria as well as reproducibility (FAIR+R). acidity blind prediction challenge euroSAMPL research data management reproducibility TU Dortmund University Johannes Gutenberg University Mainz University of Göttingen 2025 2025 Chemistry CC BY 4.0 Attribution - Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 Projektnummer 441958208 NFDI4Chem Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 Projektnummer 390677874 EXC-2033

10.22000/c8xzzxuu35trrdqj2025-08-13T14:48:35Zradar4chem

10.22000/c8xzzxuu35trrdqj Grenda, Daniel J. Daniel J. Grenda 0009-0006-4505-0660 University of Regensburg Muth, Stephan Stephan Muth University of Regensburg Nuernberger, Patrick Patrick Nuernberger 0000-0002-4690-0229 University of Regensburg Spectroscopic Data for "Photochemical Insights on Acyl Azolium Salts Enable the Design of a Tandem Hydrogen Atom Transfer/Halogen Atom Transfer Acylation of Alkyl Bromides and Chlorides" University of Regensburg 2025 2025 Chemistry CC BY 4.0 Attribution Grenda, Daniel J. Muth, Stephan Nuernberger, Patrick Deutsche Forschungsgemeinschaft 501100001659 444632635 https://gepris.dfg.de/gepris/projekt/444632635 TRR 325: Assembly Controlled Chemical Photocatalysis

10.22000/41f30q9xz9mmznqp2025-08-13T18:04:36Zradar4chem

10.22000/41f30q9xz9mmznqp Hiefinger, Caroline Caroline Hiefinger 0009-0000-4587-9248 University of Regensburg Marcon, Michela Michela Marcon 0000-0002-1201-1677 Pape, Verena Verena Pape Casadevall, Guillem Guillem Casadevall 0000-0003-4442-1600 Lahmy, Ranit Ranit Lahmy 0000-0002-9432-7455 Haag, Christoph Christoph Haag 0009-0008-4292-9869 Nazet, Julian Julian Nazet Bartl, Michael Michael Bartl Bruckmann, Astrid Astrid Bruckmann 0000-0001-6082-2944 Osuna, Sílvia Sílvia Osuna 0000-0003-3657-6469 Koenig, Burkhard Burkhard Koenig 0000-0002-6131-4850 Hupfeld, Andrea Andrea Hupfeld 0000-0002-4341-1593 Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering Photoswitchable unnatural amino acids (psUAAs) play a crucial role in the engineering of light-sensitivity in enzymes, which holds significant promise for diverse applications such as biotherapy and biocatalysis. Besides near-quantitative photoconversion, the success and expediency of a psUAA for a certain application is defined by its interaction potential with the enzyme, its thermal stability and its effective wavelength of irradiation. To establish high versatility in the current repertoire, we have designed and synthesized six psUAAs based on azobenzene, arylazopyrazole, arylazothiazole, hemithioindigo and spiropyran photoswitches. The resulting psUAAs exhibit an enhanced interaction potential within an enzyme owing to their capacity for hydrogen bonding, ionic interactions, and metal ion coordination. Moreover, we observed diverse photochemical behaviors among the psUAAs, with four of them reversibly switching between the isomers with purely visible light. Notably, we identified orthogonal aminoacyl-tRNA synthetases that facilitate the incorporation of five of the six psUAAs co-translationally and computationally analyzed the synthetase-psUAA interactions. Finally, we evaluated the photochemical behavior of the five psUAAs within an enzymatic model and tested the photocontrol of catalysis confirming their diversity. Ultimately, our findings significantly expanded the repertoire of psUAAs and demonstrated their feasibility for enzyme engineering studies. Koenig, Burkhard 2025 2025 Chemistry NMR and MS data CC BY 4.0 Attribution University of Regensburg

10.22000/17682025-08-19T12:14:48Zradar4chem

10.22000/1768 Strauch, Christian Christian Strauch 0000-0001-9895-3552 RWTH Aachen University Schneider, Stefanie Stefanie Schneider 0000-0002-4399-0388 RWTH Aachen Univeristy Dataset belonging to the publication "Monte Carlo simulation of the ionization and uptake behavior of cationic oligomers into pH-responsive polyelectrolyte microgels of opposite charge - a model for oligopeptide uptake and release" In this work, we modeled the uptake of cationic oligomers in anionic pH-responsive networks. We varied the pK-values for the monomers in the network and the monomers in the oligomers. Further, we varied the influence of concentration and oligomer length. Besides the uptake, we investigated the ionization and swelling behavior of the network. Finally, a purification run was mimicked for selected systems. Metropolis Monte Carlo simulations Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Cluster CLAIX2018-GPU microgels, oligomers, oligopeptide, pH-responsive, constant-pH IPC - RWTH Aachen University 2023 2024 Chemistry Molsim Gnuplot VMD simlab CC BY-NC 4.0 Attribution-NonCommercial RWTH Aachen University Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/vc5ya7kvqb87bq602025-08-21T08:56:38Zradar4chem

10.22000/vc5ya7kvqb87bq60 Weis, Patrick Patrick Weis KIT Raw data for Nanoscale - Polyoxometalate-cyclodextrin aggregates in isolation: Probing the conformer space and binding affinities Karlsruhe Institute of Technology 2025 2025 Chemistry All rights reserved Karlsruhe Institute of Technology

10.22000/qfc6nupfwpm4ebg82025-08-22T07:54:43Zradar4chem

10.22000/qfc6nupfwpm4ebg8 10.1039/d5sm00522a 10.22000/0b754r92k72b6ngg Schog, Simon Simon Schog 0000-0002-1591-6834 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Schulte, M. Friederike M. Friederike Schulte 0000-0002-9411-242X RWTH Aachen University Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University Kratzenberg, Timon Timon Kratzenberg 0000-0003-4559-5127 RWTH Aachen University Tapping Measurements Belonging to the Publication: "From single microgels to dense microgel monolayers – investigation by atomic force microscopy" AFM images of single microgels and microgels in dense monolayers at the solid-air interface, recorded in Tapping mode Atomic Force Microscopy (AFM) .SPM files (Bruker file format) microgels interfaces AFM RWTH Aachen University 2025 2025 eng Chemistry Dimension Icon AFM Nanoscope CC BY 4.0 Attribution RWTH Aachen University Schog, Simon Richtering, Walter Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/vnz5vq78c8t11r052025-08-22T08:00:45Zradar4chem

10.22000/vnz5vq78c8t11r05 10.1039/d5sm00522a 10.22000/0b754r92k72b6ngg Schog, Simon Simon Schog 0000-0002-1591-6834 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Schulte, M. Friederike M. Friederike Schulte 0000-0002-9411-242X RWTH Aachen University Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University Kratzenberg, Timon Timon Kratzenberg 0000-0003-4559-5127 RWTH Aachen University PeakForce Tapping Measurements Belonging to the Publication: "From single microgels to dense microgel monolayers – investigation by atomic force microscopy" AFM images of single microgels and microgels in dense monolayers at the solid-liquid interface, recorded in PeakForce Tapping mode Atomic Force Microscopy (AFM) .SPM files (Bruker file format) microgels, interfaces, AFM RWTH Aachen University 2025 2025 eng Chemistry Dimension Icon AFM Nanoscope CC BY 4.0 Attribution RWTH Aachen University Schog, Simon Richtering, Walter Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems

10.22000/0b754r92k72b6ngg2025-08-22T08:02:50Zradar4chem

10.22000/0b754r92k72b6ngg 10.1039/D5SM00522A 10.22000/qz1dpgmvs76s7ny3 10.22000/y9xnnafmysdv9ug1 10.22000/c7j93z4bp2e4mmdd 10.22000/qfc6nupfwpm4ebg8 10.22000/vnz5vq78c8t11r05 10.22000/hp54f7dmqebgawue Schog, Simon Simon Schog 0000-0002-1591-6834 RWTH Aachen University Richtering, Walter Walter Richtering 0000-0003-4592-8171 RWTH Aachen University Schulte, Friederike M. Friederike M. Schulte 0000-0002-9411-242X RWTH Aachen University Bochenek, Steffen Steffen Bochenek 0000-0001-5841-2815 RWTH Aachen University Kratzenberg, Timon Timon Kratzenberg 0000-0003-4559-5127 RWTH Aachen University Data belonging to the Publication: "From single microgels to dense microgel monolayers – investigation by atomic force microscopy" This dataset serves as a wrapper to all datasets belonging to the published article "From single microgels to dense microgel monolayers – investigation by atomic force microscopy". See related identifiers for the individual DOIs as well as README. microgels interfaces AFM RWTH Aachen University 2025 2025 eng Chemistry Parent dataset referencing to link relevant datasets together. CC BY 4.0 Attribution RWTH Aachen University Schog, Simon Richtering, Walter Deutsche Forschungsgemeinschaft 501100001659 191948804 https://gepris.dfg.de/gepris/projekt/191948804?language=en SFB 985: Functional Microgels and Microgel Systems rows=100@@searchMark=10.22000/0b754r92k72b6ngg@@set=radar4chem@@from=0001-01-01T00:00:00Z@@total=139@@until=9999-12-31T23:59:59Z@@metadataPrefix=radar