2026-04-30T13:07:06Zhttps://www.radar-service.eu/oai/OAIHandler

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

https://dx.doi.org/10.22000/1625 Conrads, Christian Burkart, Lisa Soerensen, Sven Noichl, Sandra Kara, Yasemin Heck, Joshua Hoffmann, Alexander Herres-Pawlis, Sonja Experimental Data to the publication "Understanding Structure-Activity Relationships: Iron(II) Complexes of “Legacy Guanidines” as Catalysts for the Synthesis of Polylactide" RWTH Aachen University 2023 Chemistry Materials Science dataset NMR, GPC, DSC and Raman spectroscopic experimental data and MALDI-TOF-MS spectra Dataset 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. Instrument Instrument Instrument Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1039/D3CY01117H 501100000780 application/x-tar

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

https://dx.doi.org/10.22000/613 Heck, Joshua Metz, Fabian Buchenau, Sören Teubner, Melissa Grimm-Lebsanft, Benjamin Spaniol, Thomas Paul Hoffmann, Alexander Rübhausen, Michael Herres-Pawlis, Sonja DFT Optimised coordinates to the publication "Manipulating Electron Transfer − The Influence of Substituents on Novel Copper Guanidine Quinoline Complexes" RWTH Aachen University 2022 Chemistry Physics dataset DFT optimised coordinates Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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. eng 10.1039/d2sc02910c 501100001659 501100002347 application/x-tar

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

https://dx.doi.org/10.22000/872 Laurini, Larissa Béteille, Arthur Fink, Gerhard Herres-Pawlis, Sonja Loubière, Karine Experimental Data to the publication "Reactive Mass Transfer around Isolated Bubbles Rising in a Thin-Gap Cell" RWTH Aachen University 2023 Chemistry Engineering dataset DOSY NMR spectroscopic data and time series of images Dataset Bruker Avcance II (400 MHz) Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1002/ceat.202300031 application/x-tar

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

https://dx.doi.org/10.22000/890 Burkart, Lisa Eith, Alexander Hoffmann, Alexander Herres-Pawlis, Sonja Experimental Data to the publication "Open Loop Recycling – Guanidine Iron(II) Polymerization Catalyst for the Depolymerization of Polylactide" RWTH Aachen University 2023 Chemistry Materials Science dataset All NMR spectroscopic data and the determination of kinetic and thermodynamic parameters were deposited. Dataset Bruker Avance II (400 MHz) Bruker Avance III (400 MHz) Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1002/asia.202201195 501100000780 application/x-tar

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

https://dx.doi.org/10.22000/923 Fuchs, Martin Schäfer, Pascal M. Wagner, Wolf Krumm, Ian Walbeck, Marcel Dietrich, Regina Hoffmann, Alexander Herres-Pawlis, Sonja 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" RWTH Aachen University 2023 Chemistry Materials Science dataset NMR, GPC and Raman spectrosocpic experimental data Dataset 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 Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1002/cssc.202300779 501100000780 application/x-tar

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

https://dx.doi.org/10.22000/952 Fuchs, Martin Schäfer, Pascal M. Wagner, Wolf Krumm, Ian Walbeck, Marcel Dietrich, Regina Hoffmann, Alexander Herres-Pawlis, Sonja 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 RWTH Aachen University 2023 Chemistry Materials Science dataset NMR, GPC and Raman spectrosocpic experimental data Dataset 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 Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1002/cssc.202300779 501100000780 application/x-tar

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

https://dx.doi.org/10.22000/579 Conen, Niclas Fuchs, Martin Hoffmann, Alexander Herres-Pawlis, Sonja Jupke, Andreas 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" RWTH Aachen University 2022 Chemistry Engineering dataset NMR, GPC and Raman experimental data Dataset 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 Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1002/adsu.202200359 GERMANY (Aachen) 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/593 Raßpe-Lange, Lukas Hoffmann, Alexander Gertig, Christoph Heck, Joshua Leonhard, Kai Herres-Pawlis, Sonja 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) RWTH Aachen University 2022 Chemistry Engineering dataset Experimental and DFT optimised coordinates Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode Experimental and DFT optimised coordinates were deposited. density functional theory eng 10.1002/jcc.26927 501100001659 501100007210 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/693 Hermann, Alina Becker, Tabea Schäfer, Martin A. Hoffmann, Alexander Herres-Pawlis, Sonja Experimental MALDI-ToF-MS data to the publication "Effective Ligand Design: Zinc Complexes with Guanidine Hydroquinoline Ligands for Fast Lactide Polymerization and Chemical Recycling" RWTH Aachen University 2022 Chemistry Materials Science dataset MALDI-ToF-MS spectra Dataset 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. Instrument Trial info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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. eng 10.1002/cssc.202201075 (BioSC) 501100000780 application/x-tar

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

https://dx.doi.org/10.22000/808 Conen, Niclas Fuchs, Martin Hoffmann, Alexander Herres-Pawlis, Sonja Jupke, Andreas 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 RWTH Aachen University 2022 Chemistry Engineering dataset NMR spectroscopic experimental data Dataset Bruker Avance II (400MHz) Bruker Avance III (400MHz) Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 10.1002/adsu.202200359 GERMANY (Aachen) 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1106 Hombach, Lea Carbon Supported Polyoxometalates as Recyclable Solid Acid Catalysts in Aqueous Reactions Beine, Anna Katharina 2023 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/publicdomain/zero/1.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/1105 Heinke, Lars Repository-data____Radar4Chem__for-DOI_10.1002-adfm.202211880.zip Heinke, Lars 2023 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/1752 Bräse, Stefan Jung, Nicole Huang, Pei-Chi Lin, Chia-Lin Chemotion Repository - Data collection: mass spectrometry data Karlsruhe Institute of Technology (KIT) 2023 Chemistry dataset Collection of measurement data - mass spectrometry data Collection Chemotion Repository Other info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode 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 VR 2030 MWK BW application/x-tar

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

https://dx.doi.org/10.22000/1753 Herrmann, David Analytical data: cyclic voltammetry - Draft v.1.0 David Herrmann, KIT 2023 Chemistry Materials Science dataset Collection Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/publicdomain/zero/1.0/legalcode Herres-Pawlis, Sonja Hoffmann, Alexander Fischer, Tillmann G. Bizzarri, Claudia Jung, Nicole Bräse, Stefan 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 Herres-Pawlis, Sonja Hoffmann, Alexander Fischer, Tillmann G. Bizzarri, Claudia Jung, Nicole Bräse, Stefan eng 10.26434/chemrxiv-2023-95s19 VR 2030 application/x-tar

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

https://dx.doi.org/10.22000/680 Petrunin, Alexander V. Bochenek, Steffen Richtering, Walter Scotti, Andrea Analytical data belonging to the publication "Harnessing the polymer-particle duality of ultra-soft nanogels to stabilise smart emulsions" IPC - RWTH Aachen University 2022 Physics dataset Dataset 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 Instrument Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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) 10.1039/d2cp02700c 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/681 Andrea, Scotti Gasser, Urs Petrunin, Alexander V. Fruhner, Lisa Richtering, Walter Houston, Judith E. Analytical data belonging to the publication "Experimental determination of the bulk moduli of hollow nanogels as model system for nanocarriers" IPC - RWTH Aachen University 2022 Physics dataset Dataset SANS-I at SINQ, Paul Scherrer Institut (Villigen, Switzerland) Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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) 10.1039/D2SM00680D 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/692 Nickel, Anne C. Denton, Alan R. Houston, Judith E. Schweins, Ralf Plivelic, Tomàs S. Richtering, Walter Scotti, Andrea Analytical data belonging to the publication "Beyond simple self-healing: How anisotropic nanogels adapt their shape to their environment" IPC - RWTH Aachen University 2023 Physics dataset Dataset D11 (lowest momentum transfer small-angle diffractometer) (SANS) Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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) 10.1063/5.0119527 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/942 Papatheodorou, Panagiotis Schumacher et al (raw data) Papatheodorou, Panagiotis 2023 Medicine Biochemistry Biology Chemistry Life Science dataset Raw data Collection info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Schumacher, Judith Nienhaus, Astrid Heber, Sebastian Chaves-Olarte, Esteban Rodríguez, César Barth, Holger 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 Schumacher, Judith Nienhaus, Astrid Heber, Sebastian Chaves-Olarte, Esteban Rodríguez, César Barth, Holger eng 10.1080/19490976.2023.2256695 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1721 Nevolianis, Thomas Ahmed, Raja A. Hellweg, Arnim Diedenhofen, Michael Leonhard, Kai Data belonging to the publication "Blind prediction of toluene/water partition coefficients using COSMO-RS: Results from the SAMPL9 challenge" RWTH Aachen University 2023 Chemistry Life Science dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode All optimized molecular geometries produced during this work COSMO-RS 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/603 Scotti, Andrea Bochenek, Steffen Analytical data belonging to the publication "In-situ Study of the Impact of Temperature and Architecture on the Interfacial Structure of Thermo-responsive Microgels" IPC - RWTH Aachen University 2022 Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 21.11102/b0e200f4-d196-44bd-874a-2f5f79d22527 0000 0001 2096 9829 application/x-tar

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

https://dx.doi.org/10.22000/804 Petrunin, Alexander V. Schmidt, Maximilian M. Schweins, Ralf Houston, Judith E. Scotti, Andrea Analytical data belonging to the publication: "Self-healing of charged nanogels in neutral and charged environments" IPC - RWTH Aachen University 2023 Physics Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 10.1021/acs.langmuir.2c03054 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/883 Nevolianis, Thomas Baumann, Matthias Viswanathan, Narasimhan Kopp, Wassja A. Leonhard, Kai Data belonging to the publication "DISSOLVE: Database of ionic solutes’ solvation free energies" LTT - RWTH Aachen University 2023 Chemistry Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 10.1016/j.fluid.2023.113801 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/857 Nevolianis, Thomas Scotti, Andrea Petrunin, Alexander Richtering, Walter Leonhard, Kai Data belonging to the publication "Understanding the Monomer Deuteration Effect on the Transition Temperature of poly(N-isopropylacrylamide) Microgels in H2O" LTT - RWTH Aachen University 2023 Chemistry Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode All optimized molecular geometries and multi-angle dynamic light scattering measurements. Dynamic light scattering Quantum mechanics 10.1039/D2PY01511K 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1829 Heinke, Lars Data_ChemIngTec___Kanj-Heinke___1d-uptake-raw.zip Heinke, Lars 2023 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/1740 Langletz, Tim Grande, Philipp M. Viell, Jörn Wolters, Daniel Klose, Holger Schriever, Sascha G. Hoffmann, Alexander Gries, Thomas Herres-Pawlis, Sonja Tonn, Josia Jupke, Andreas Experimental Data to the publication "Towards a Greener Bioeconomy: Synthesis and Characterization of Lignin-Polylactide Copolymers" RWTH Aachen University 2023 Chemistry Materials Science dataset NMR spectroscopic data and data of the thermal analysis via thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) Dataset Bruker Avance II (400MHz) Bruker Avance III (400MHz) Netzsch DSC 204 F1 Phoenix Mettler Toledo TGA Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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) eng 10.1002/aesr.202300187 application/x-tar

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

https://dx.doi.org/10.22000/702 Parks, Nicole A. Fischer, Tillmann G. Blankenburg, Claudia Scalfani, Vincent F. McEwen, Leah R. Herres-Pawlis, Sonja Neumann, Steffen The current landscape of author guidelines in chemistry through the lens of research data sharing RADAR4Chem 2023 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 eng 10.1515/pac-2022-1001 501100001659 100019180 100000105 100000105 application/x-tar

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

https://dx.doi.org/10.22000/1854 Schöntag, Johannes Nucleophilic Addition of Bulky Aryl Substituents to Pentacene-6,13-quinone Bettinger, Holger F. 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Bettinger, Holger F. NMR and optical data for Publication: Nucleophilic Addition of Bulky Aryl Substituents to Pentacene-6,13-quinone Bettinger, Holger F. 501100000781 application/x-tar

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

https://dx.doi.org/10.22000/1827 Schmidt, Maximilian M. Ruiz-Franco, José Bochenek, Steffen Camerin, Fabrizio Zaccarelli, Emanuela Scotti, Andrea Dataset belonging to the Publication: "Interfacial fluid rheology of soft particles" RWTH Aachen University 2024 Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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). 10.1103/PhysRevLett.131.258202 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1743 Maste, Stefan Electronic supporting information to Maste et al. - The Accuracy Limit of Chemical Shift Predictions for Species in Aqueous Solution Cluster of Excellence RESOLV 2024 Chemistry dataset Snapshot and optimized structures with corresponding shielding constants, example inputs Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/publicdomain/zero/1.0/legalcode Sharma, Bikramjit Pongratz, Tim Marx, Dominik Kast, Stefan M. NMR solvation AIMD EC-RISM quantum chemistry Sharma, Bikramjit Pongratz, Tim Marx, Dominik Kast, Stefan M. 10.1039/D3CP05471C https://ror.org/018mejw64 https://ror.org/018mejw64 application/x-tar

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

https://dx.doi.org/10.22000/1915 Pruthi, Vaishali 3D Printable Polyelectrolyte Complex- integrated Interpenetrating Network Hydrogels with Customizable Mechanical Strength and pH-Responsiveness Théato, Patrick 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/1919 Döpping, Daniel Polyacrylonitrile Coated SiO2 Nanoparticles: Coating Thickness Characterization via Size Exclusion Chromatography Théato, Patrick 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/1911 Hohenschutz, Max Simons, Jasmin Crassous, Jérôme Petrunin, Alexander V Hazra, Nabanita Richtering, Walter Dataset belonging to publication: "Microgels react to incorporation of solutes: Superchaotropic Nano-ions" RWTH Aachen University 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data to the figures in the publication, raw data to zetasizer, multi-angle DLS, SLS, SAXS and Raman 10.1021/acsnano.3c12357 501100001659 501100007210 application/x-tar

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

https://dx.doi.org/10.22000/795 Schulze, Franziska Titus, Juliane Mettke, Peter Berger, Stefan Siehl, Hans-Ulrich Zeller, Klaus-Peter Sicker, Dieter Karminsäure RADAR4Chem 2022 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Fischer, Tillmann G. natural products Fischer, Tillmann G. eng 10.1002/ciuz.201300634 https://ror.org/018mejw64 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/786 Keltsch, Nils Munzert, Viola Zeller, Klaus-Peter Siehl, Hans-Ullrich Berger, Stefan Sicker, Dieter Linderazulen aus einer invasiven Pflanze RADAR4Chem 2022 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Fischer, Tillmann G. natural products Fischer, Tillmann G. eng 10.1002/ciuz.201900868 https://ror.org/018mejw64 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1875 Fischer, Tillmann G. Ditfe, Toni Neumann, Steffen 1H NMR Data of Linderazulene with Peaks, Integrals, Multiplets and Assignments added with TopSpin and MNova RADAR4Chem 2024 Chemistry dataset Dataset Bruker AVANCE III HD 400 Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Berger, Stefan Sicker, Dieter Berger, Stefan Sicker, Dieter 10.22000/786 https://ror.org/018mejw64 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/785 Prasse, Agneta Munzert, Viola José, Elena Zeller, Klaus-Peter Siehl, Hans-Ullrich Berger, Stefan Sicker, Dieter Die Polei-Minze im Wandel der Zeiten RADAR4Chem 2022 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Fischer, Tillmann G. natural products Fischer, Tillmann G. eng 10.1002/ciuz.201800860 https://ror.org/018mejw64 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1865 Çiçek, Serhat Sezai Galarza Pérez, Mayra Wenzel-Storjohann, Arlette Bezerra, Roberto M. Segovia, Jorge F. O. Girreser, Ulrich Kanzaki, Isamu Tasdemir, Deniz Antimicrobial Prenylated Isoflavones from the Leaves of the Amazonian Medicinal Plant Vatairea guianensis Aubl. Çiçek, Serhat Sezai 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Fischer, Tillmann G. Fischer, Tillmann G. eng 10.1021/acs.jnatprod.1c01035 BRAZIL: Lat/Long/Datum 0.2250833 -51.5567222 (WGS 84) 501100005668 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/OGoEQGlsZGElrgst Jung, Nicole Tremouilhac, Pierre Punjabi, Dev Huang, Pei-Chi Chemotion Repository - Data collection: FT-IR spectroscopy data (Chemotion IR) Karlsruhe Institute of Technology 2024 Chemistry Computer Science dataset Infrared Spectroscopy dataset of organic molecules Dataset Chemotion Repository Other info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode 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 application/x-tar

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

https://dx.doi.org/10.22000/PgmZKMHOGVgAvTnS Grimm, Alexander Inverse Vulcanization of Activated Norbornenyl Esters - A Versatile Platform for Functional Sulfur Polymers Théato, Patrick 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/TvZgILKZrpTyDRFj Akae, Yosuke Tailored Polyurethane Synthesis from AB-type Monomer Akae, Yosuke 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/wbBsRWXPcktYkFKf Fink, Fabian Grabowski, Frédéric Schier, Walter Sebastian Soerensen, Sven Petrunin, Alexander V. Richtering, Walter Herres-Pawlis, Sonja Pich, Andrij Dataset belonging to the publication: "Catalyzed Henry Reaction by Compartmentalized Copper-Pyrazolyl-Complex Modified Microgels" RWTH Aachen University 2024 Chemistry dataset Dataset 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. Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 eng 10.1002/adfm.202403787 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1923 Schmidt, Maximilian Marcel Laukkanen, Olli-Ville Bochenek, Steffen Schier, Walter Sebastian Richtering, Walter Dataset belonging to the publication "Interfacial rheology of polyelectrolyte microgel monolayers: correlation between mechanical properties and phase behavior at oil-water interfaces" Institute of Physical Chemistry, RWTH Aachen University 2024 Chemistry Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 10.1122/8.0000714 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/1892 Strauch, Christian Schneider, Stefanie 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" IPC - RWTH Aachen University 2024 Chemistry dataset Dataset Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode 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 eng 10.1039/D3SM01426F 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/yYqTQhZNrPZhSHyL Becker, Tabea Hermann, Alina Saritas, Nazik Hoffmann, Alexander Herres-Pawlis, Sonja Experimental Data to the publication "Open- and Closed-Loop Recycling: Highly Active Zinc Bisguanidine Polymerization Catalyst for the Depolymerization of Polyesters" RWTH Aachen University 2024 Materials Science Chemistry dataset NMR, GPC and kinetic experimental data Dataset 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) Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng application/x-tar

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

https://dx.doi.org/10.22000/1820 Lenz, Robin Fischer, Franziska Arnold, Melinda Fernández-González, Verónica Moscoso Pérez, Carmen María Andrade-Garda, José Manuel Muniategui-Lorenzo, Soledad Fischer, Dieter MicroPlastiX SpecDB Lenz, Robin 2023 Other Polymerspectroscopy dataset Spectroscopic collection including rich metadata Collection Vibrational spectroscopic measurements of polymers weathered and biofouled in the marine environment. Trial info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode Frias, João Casotti, Raffaella Pedrotti, Maria Luiza The JPI Oceans Project MicroPlastiX consortium members 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 Frias, João Casotti, Raffaella Pedrotti, Maria Luiza The JPI Oceans Project MicroPlastiX consortium members eng https://github.com/robna/MPX_specDB URL of the source repository of the project FRANCE (Villefranche-sur-Mer (VLFR)): Lat/Long/Datum 43.696389 7.309167 (WGS 84) ITALY (Bay of Naples (NAP)): Lat/Long/Datum 40.833056 14.253056 (WGS 84) SPAIN (Ares harbour (LCG)): Lat/Long/Datum 43.422222 -8.239444 (WGS 84) Project MicroplastiX application/x-tar

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

https://dx.doi.org/10.22000/soDUutABNkcCdbHh Holzhauer, Laura Additional Datasets and Files for Publication "Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings" Karlsruhe Institute of Technology 2024 Chemistry Materials Science dataset Collection Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Holzhauer, Laura Shekhovtsev, Vitalii Bruschi, Cecilia Gunther, Mathis Fuhr, Olaf Hodapp, Patrick Bizzarri, Claudia Wenzel, Wolfgang Jung, Nicole Bräse, Stefan 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 Holzhauer, Laura Shekhovtsev, Vitalii Bruschi, Cecilia Gunther, Mathis Fuhr, Olaf Hodapp, Patrick Bizzarri, Claudia Wenzel, Wolfgang Jung, Nicole Bräse, Stefan eng application/x-tar

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

https://dx.doi.org/10.22000/jSlYquBfZcUmVYJx Herrmann, David Analytical data: cyclic voltammetry - Version v.1.1 Karlsruhe Institute of Technology 2024 Chemistry Materials Science dataset Collection Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Herres-Pawlis, Sonja Hoffmann, Alexander Fischer, Tillmann G. Bizzarri, Claudia Jung, Nicole Bräse, Stefan 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 Herres-Pawlis, Sonja Hoffmann, Alexander Fischer, Tillmann G. Bizzarri, Claudia Jung, Nicole Bräse, Stefan eng 10.26434/chemrxiv-2023-95s19 application/x-tar

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

https://dx.doi.org/10.22000/1793 Parks, Nicole A. Kröckert, Konstantin W. Claßen, Fabian Herres-Pawlis, Sonja Müller, Matthias Richtering, Walter Dataset belonging to the publication "Data-Producing Methods in CRC 985: Recommendations for Research Data Management in Large Interdisciplinary Projects" RWTH Aachen University 2024 Chemistry Engineering dataset Dataset Survey with CRC 985 members Survey info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 eng 501100001659 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/njxqt7bv0n7vdsvk Schöntag, Johannes Rearrangement Cascade Initiated by Nucleophilic Benzyne Attack on 3,6-Di(2-pyridyl)-1,2-diazines Bettinger, Holger F. 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Bettinger, Holger F. Roberts, William Scheele, Marcus Hettiger, Theresa 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. Roberts, William Scheele, Marcus Hettiger, Theresa 501100000781 application/x-tar

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

https://dx.doi.org/10.22000/jGCCRAkGwdLQxdIQ Theato, Patrick Synthesis of Polyimide-PEO Copolymers: Toward Thermally Stable Solid Polymer Electrolytes for Lithium-Metal Batteries Patrick Theato 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/604 Scotti, Andrea Analytical data belonging to the publication "Resolving the different bulk moduli within individual soft nanogels using small-angle neutron scattering" IPC - RWTH Aachen University 2022 Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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) 10.1126/sciadv.abn6129 0000 0001 2096 9829 application/x-tar

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

https://dx.doi.org/10.22000/snmphx276tt041sa Seitz, Tobias Walbeck, Marcel Hoffmann, Alexander Herres-Pawlis, Sonja Experimental Data to the publication ""Electron transfer kinetics of a series of copper complexes with tripodal tetradentate guanidine quinolinyl ligands" RWTH Aachen University 2024 Chemistry dataset Optimized coordinates otained from DFT calculations, Cyclic Voltammetry measurements and stopped-flow UV/Vis spectroscic data Dataset 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. Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode 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 eng 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/dh0vt37bfcfnyf62 Crassous, Jérôme Dataset belonging to the Publication: "Capillary Driven Self-Assembly of Soft Ellipsoidal Microgels at the Air/Water Interface" Crassous, Jérôme 2024 Physics dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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. 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/7m1vce62jucq8dvj Strauch, Christian Roß, Lars Schneider, Stefanie Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations" IPC-RWTH Aachen University 2024 Chemistry dataset Dataset CLAIX2018 Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode 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 eng 10.1039/D4SM00950A 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/44bv95gm8ajgc9xf Leippe, Sophia C. Bastian, Björn Asmis, Knut R. Dataset for Publication "Probing the Temperature of Quantum Dots in a Cryogenic Ion Trap by Fluorescence Spectroscopy" Leipzig University Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Johst, Florian Hoffmann, Benjamin Krohn, Sonja Papagrigoriou, Kleopatra Mews, Alf 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 Johst, Florian Hoffmann, Benjamin Krohn, Sonja Papagrigoriou, Kleopatra Mews, Alf 10.1021/acs.jpcc.4c07479 501100001659 501100001659 501100001659 501100007440 501100008678 application/x-tar

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

https://dx.doi.org/10.22000/s2myp3gw533d4vq0 Grimm, Alexander P. A Versatile Flow Reactor Platform for Machine Learning Guided RAFT Synthesis and Amidation of Poly(pentafluorophenyl acrylate) Théato, Patrick 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Knox, Stephen T. Wilding, Clarissa Y. P. Jones, Harry Schmidt, Björn Piskljonow, Olga Voll, Dominik Schmitt, Christian W. Warren, Nicholas J. Théato, Patrick Knox, Stephen T. Wilding, Clarissa Y. P. Jones, Harry Schmidt, Björn Piskljonow, Olga Voll, Dominik Schmitt, Christian W. Warren, Nicholas J. Théato, Patrick application/x-tar

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

https://dx.doi.org/10.22000/tmd8sges0mdjh9g3 Pruthi, Vaishali Azobenzene-enhanced 3D printed complex hydrogels: Unlocking light and pH responsiveness in Polyelectrolyte-based networks Théato, Patrick 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/4bh51mv09m2hr1b2 Grimm, Alexander Deng, Bijian Haridas, Shyamkumar V. Voll, Dominik Schmitt, Christian W. von Delius, Max Scheiba, Frieder Théato, Patrick Inverse Vulcanization of All-cis-fluorinated Cyclohexylacrylate: Tailored Polymer Design for Li-S Battery Cathode Materials Théato, Patrick 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/xDcYWFOWxjiIYwUn Zikode, Mnqobi Fuchs, Martin Langletz, Tim Burkart, Lisa Herres-Pawlis, Sonja Ojwach, Stephen O. 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)" RWTH Aachen University 2024 Chemistry Materials Science dataset NMR and Raman spectroscopic experimental data Dataset Bruker Acance II (400 MHz) Bruker Avance III (400 MHz) RXN1 spectrometer of Kaiser Optical System with a 785 nm laser Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode 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 eng 501100001321 501100001321 https://ror.org/04xfq0f34 application/x-tar

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

https://dx.doi.org/10.22000/gDDeJtniERRQmiOx Petrunin, Alexander V. Höfken, Tom Schneider, Stefanie Mota-Santiago, Pablo Houston, Judith E. Scotti, Andrea Dataset belonging to the publication: "Phase behavior of binary mixtures of hollow and regular microgels" RWTH Aachen University 2024 Chemistry Physics dataset Dataset 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 Instrument Instrument Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 eng 10.1039/D4SM00862F 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/r3rtjpe1b5w7zbzw Döpping, Daniel Revisiting Polymer Coatings on Nanoparticles: Correlation between Molecular Weight and Coating Thickness in Semi-Controlled Polymerizations Döpping, Daniel 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/ab0bmuwhdgfs0tqq Seitz, Tobias Karabulut, Aylin Hoffmann, Alexander Herres-Pawlis, Sonja 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" RWTH Aachen University 2025 Chemistry dataset Dataset 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. Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/bz5d2qgxvpv64m4u Beine, Anna Katharina Heteropolyacids and Ruthenium on Covalent Triazine Frameworks - A Bifunctional, Recyclable Catalyst for Bio-based Tandemsystems Beine, Katharina 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess All rights reserved application/x-tar

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

https://dx.doi.org/10.22000/pmprxn5p2syh0rrq Koenig, Burkhard Naphthohydroquinone manuscript primary research data Koenig, Burkhard 2025 Chemistry dataset NMR spectroscopic data, Mass spectroscopic data Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/be0havevp6fzgdk1 Reiser, Oliver Catalyst-Free, Scalable, Green-Light-Mediated Iodoamination and Further Transformation of Olefins under Continuous Flow Conditions Oliver Reiser 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/xbhtmsgkufv96vpg Müller, Laurentia On-Surface Synthesis and Characterization of Pentadecacene and its Gold Complexes Holger F. Bettinger 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 100019180 application/x-tar

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

https://dx.doi.org/10.22000/h94xprahzhkpsea0 Zirwick, Maren Peri-Tetracene from 1,1′-Bitetracene: Zipping up Structurally Defined Graphene Nanoribbons Bettinger, Holger 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/ch74tgy3nje038x1 Roesky, Peter Cedric, Cedric Münzfeld, Luca Hauser, Adrian Gillhuber, Sebastian Hädinger, Pauline Leskov, Maxim Weigend, Florian A Novel Synthetic Pathway to Lanthanide Triple-Decker Complexes Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 0000 0001 2096 9829 application/x-tar

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

https://dx.doi.org/10.22000/bfcgd6zhx6uu861n Theato, Patrick Versatile Solvent-free Synthesis Platform for Thin High Performance CPEs Döpping, Daniel 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/aygcxy5kjzu130uy Birnthaler, Dominik Taskinen, Elina König, Burkhard Primary_Data for Preassembly-Controlled Radical Recombination at Bismuth: Decarboxylative C–N Coupling with Sulfonamides König, Burkhard 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Will be modified after peer-review application/x-tar

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

https://dx.doi.org/10.22000/zpgp7q6cq9bz51tx Koenig, Burkhard ESI Merocyanine-Based Photoacids as Recyclable Catalysts in Visible-Light-Driven Transformations Koenig, Burkhard 2025 Chemistry dataset NMR Spektroskopische Daten Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/2nc173tq9xecmy1u Pflaum, Niklas Pauls, Mike Kumar, Ajeet Kutta, Roger Jan Nuernberger, Patrick Hauer, Jürgen Bannwarth, Christoph Bach, Thorsten Dataset for "Oxetane Cleavage Pathways in the Excited State: Photochemical Kinetic Resolution as an Approach to Enantiopure Oxetanes" Technical University of Munich 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 eng 10.1021/jacs.5c02483 https://ror.org/018mejw64 application/x-tar

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

https://dx.doi.org/10.22000/j80kn6cses15pn7x Schöntag, Johannes The Dark State of Heptacene Bettinger, Holger F. 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Bettinger, Holger F. Scheele, Marcus Zwettler, Kathrin Frech, Philipp Somani, Ankit Fardan, Navid Seitz, Michael Ströbele, Markus Leis, Wolfgang NMR, EPR and optical data for Publication: The Dark State of Heptacene Bettinger, Holger F. Scheele, Marcus Zwettler, Kathrin Frech, Philipp Somani, Ankit Fardan, Navid Seitz, Michael Ströbele, Markus Leis, Wolfgang 501100000781 application/x-tar

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

https://dx.doi.org/10.22000/2pbrutk9aq6s1t0y 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 Dataset for "Enantioselective Photochemical Generation of a Short-Lived, Twisted Cycloheptenone Isomer: Catalytic Formation, Detection, and Consecutive Chemistry" Technical University of Munich 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 eng 10.1002/anie.202501433 https://ror.org/018mejw64 application/x-tar

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

https://dx.doi.org/10.22000/uju3k58znj7ahhm7 Roesky, Peter Gillhuber, Sebastian Finch, Alicia K. Holloway, Joshua O. Frisch, Hendrik Weigend, Florian Barner-Kowollik, Christopher Introducing Photochemical Action Plots as a Tool for Unlocking On-Off Switchable Behavior in a Polymeric Eosin Y Photocatalyst Queensland University of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/hu6agwk1qnzxc1e7 Roesky, Peter Frick, David Poss, Elena Köppe, Ralf Synthesis of molecular organo-f-element-polyphosphides with non-classical divalent lanthanide precursors Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 0000 0001 2096 9829 application/x-tar

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

https://dx.doi.org/10.22000/t2xxwp6w3hk9tmf3 Koenig, Burkhard Photoelectrochemical Synthesis of Benzo[b]phosphole Oxides via Sequential P–H/C–H Bond Functionalizations - Correction Koenig, Burkhard 2025 Chemistry dataset NMR Spektroskopische Daten Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 10.22000/ycx77xj3ue717uxc application/x-tar

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

https://dx.doi.org/10.22000/ycx77xj3ue717uxc Koenig, Burkhard Photoelectrochemical Synthesis of Benzo[b]phosphole Oxides via Sequential P–H/C–H Bond Functionalizations Koenig, Burkhard 2025 Chemistry dataset NMR Spektroskopische Daten Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 10.22000/t2xxwp6w3hk9tmf3 application/x-tar

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

https://dx.doi.org/10.22000/h75gdvfp2xbwyejz Langletz, Tim Edinger, Medea Hoffmann, Alexander Herres-Pawlis, Sonja Experimental data to the publication "From Biomass to Polymers: Kinetic Analysis and Sustainable Synthesis of Lignin-Polycaprolactone Copolymers " RWTH Aachen University 2025 Chemistry Materials Science dataset NMR spectroscopic data and SEC experimental data Dataset 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. Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode NMR spectroscopic data and SEC data for the synthesis of Lignin-Polycaprolactone Copolymers were deposited. NMR spectroscopy SEC data lignin polymerization eng https://www.biosc.de/ application/x-tar

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

https://dx.doi.org/10.22000/zgtg8amdnqjq6mm6 Kratzenberg, Timon 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​" RWTH Aachen University 2025 Chemistry dataset Dataset Dimension Icon AFM Bruker Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Schog, Simon Bochenek, Steffen Schulte, M. Friederike Richtering, Walter 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 Schog, Simon Bochenek, Steffen Schulte, M. Friederike Richtering, Walter eng 10.1039/d5sm00237k 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/r6fh8r7g1gdadj4q Reiser, Oliver Copper(II)-Photocatalyzed Radical Anellation of Nitroalkanes with Alkenes or Alkynes for the Synthesis of Isoxazolines and Isoxazoles Reiser, Oliver 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/tk02zqa61419y4gj Zhou, Chao Bach, Thorsten Dataset for "Kinetic Resolution of Heterocyclic Lactams by a Photocatalytic Cobalt-Catalyzed Dehydrogenation" Technical University of Munich 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode The dataset comprises analytical data for the characterization of the synthesized compounds. HPLC, HRMS, IR, NMR, GLC-FID eng 10.1021/jacs.5c07524 100018694 application/x-tar

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

https://dx.doi.org/10.22000/ffagf4wz475p163v Weis, Patrick ejic.202500258_raw_data.zip Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess All rights reserved application/x-tar

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

https://dx.doi.org/10.22000/yumhgwcj7vv1q3py Prykhodska, Sofiia Oschatz, Martin Dataset for: "Controlling the structure and sodium storage properties of glucose-derived hard carbons by pre-carbonization heating rate" Oschatz, Martin 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Schutjajew, Konstantin Kalder, Laura Troschke, Erik Hermesdorf, Marius Leistenschneider, Desirée Langenhorst, Falko Härk, Eneli Schutjajew, Konstantin Kalder, Laura Troschke, Erik Hermesdorf, Marius Leistenschneider, Desirée Langenhorst, Falko Härk, Eneli 10.1039/D5NR01053E application/x-tar

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

https://dx.doi.org/10.22000/9hrnmuxvrz8x396x Haagen, Ulrich Oschatz, Martin Schutjajew, Konstantin 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 2025 Chemistry dataset Raw Data to Publication Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Mirmasoomi, Seyedrashid Hetze, Kai Cao, Sijia Lu, Yan Schutjajew, Konstantin Mirmasoomi, Seyedrashid Hetze, Kai Cao, Sijia Lu, Yan Schutjajew, Konstantin 20250708 Interne Identifikationsnummer 10.1002/celc.202500241 application/x-tar

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

https://dx.doi.org/10.22000/9u796r4u38ze7bvu Ayyildiz, Merve Oschatz, Martin Dataset for: "Understanding the interplay between pore structure and ionic liquid interaction on the gas uptake of microporous carbons" Oschatz, Martin 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Hetze, Kai Schutjajew, Konstantin Paulus, Renzo, M. Poudel, Purushottam Schacher, Felix Helmut Schubert, Ulrich Sigmar Dellith, Jan Hetze, Kai Schutjajew, Konstantin Paulus, Renzo, M. Poudel, Purushottam Schacher, Felix Helmut Schubert, Ulrich Sigmar Dellith, Jan ITUC-1 Interne Identifikationsnummer 10.1002/smll.202501928 application/x-tar

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

https://dx.doi.org/10.22000/v6xz4wsadaj3tjk4 Roesky, Peter Iqbal, Mohd Naina, Vanitha Sun, Xiaofei Shubham, Shubham Alkali Metal Complexes of a Phosphine−Functionalized Cyclooctatetraene Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/qg2e8yckr7kjtj5b Ke, Jinbo Conen, Niclas Latz, Filip Fuchs, Martin Neumann, Jan Niclas Hoffmann, Alexander Jupke, Andreas Herres-Pawlis, Sonja 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" RWTH Aachen University 2025 Chemistry Materials Science dataset NMR, SEC and Raman spectroscopic experimental data Dataset 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 Instrument Instrument Instrument Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode 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 eng 501100001663 application/x-tar

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

https://dx.doi.org/10.22000/n8gp2quef7zz5vcf Schmitt, Christian 3D-Printed Hydrogels from Recycled Cellulose for Biomedical Applications Schmitt, Christian 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Yousefshahi, Sara Pohl, Eric Sehn, Timo Jungbluth, Marcel Huber, Birgit Klein, Christopher Beuermann, Sabine Meier, Michael Schepers, Ute Théato, Patrick Cellulose Recycling Hydrogel DLP Printing Wound Healing Yousefshahi, Sara Pohl, Eric Sehn, Timo Jungbluth, Marcel Huber, Birgit Klein, Christopher Beuermann, Sabine Meier, Michael Schepers, Ute Théato, Patrick application/x-tar

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

https://dx.doi.org/10.22000/yt84fag5h2kgzadz Daumann, Lena Data for Publication: The Elusive Chemistry of Pyrroloquinoline Quinone Dimethyl Ester Lanthanide Complexes in Biomimetic Alcohol Oxidation Daumann, Lena 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/8pmhqrnnewhqj0us Roesky, Peter Sun, Xiaofei Jin, Da Yadav, Ravi Kraetschmer, Frederic Köppe, Ralf On demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode application/x-tar

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

https://dx.doi.org/10.22000/9tz9nn9r57bmh7sd Roesky, Peter Kebernik, Steven Krätschmer, Frederic Sun, Xiaofei Luminescent Ionic Heterobimetallic Diphosphine-β-diketiminate Complexes Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/dfqzn3tat216pyzy Kast, Stefan M. euroSAMPL1 challenge data and analysis TU Dortmund University 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Tielker, Nicolas Lim, Michel Kibies, Patrick Jascha Gretz, Juliana Hein-Janke, Björn Chodun, Christian Mata, Ricardo A. Czodrowski, Paul 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 Tielker, Nicolas Lim, Michel Kibies, Patrick Jascha Gretz, Juliana Hein-Janke, Björn Chodun, Christian Mata, Ricardo A. Czodrowski, Paul 10.17877/TUDODATA-2025-M6KPZZGR https://ror.org/018mejw64 https://ror.org/018mejw64 application/x-tar

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

https://dx.doi.org/10.22000/c8xzzxuu35trrdqj Grenda, Daniel J. Muth, Stephan Nuernberger, Patrick 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 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/41f30q9xz9mmznqp Hiefinger, Caroline Marcon, Michela Pape, Verena Casadevall, Guillem Lahmy, Ranit Haag, Christoph Nazet, Julian Bartl, Michael Bruckmann, Astrid Osuna, Sílvia Koenig, Burkhard Hupfeld, Andrea Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering Koenig, Burkhard 2025 Chemistry dataset NMR and MS data Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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. application/x-tar

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

https://dx.doi.org/10.22000/1768 Strauch, Christian Schneider, Stefanie 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" IPC - RWTH Aachen University 2024 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode 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 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/vc5ya7kvqb87bq60 Weis, Patrick Raw data for Nanoscale - Polyoxometalate-cyclodextrin aggregates in isolation: Probing the conformer space and binding affinities Karlsruhe Institute of Technology 2025 Chemistry dataset Dataset info:eu-repo/semantics/openAccess All rights reserved application/x-tar

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

https://dx.doi.org/10.22000/qfc6nupfwpm4ebg8 Schog, Simon Tapping Measurements Belonging to the Publication: "From single microgels to dense microgel monolayers – investigation by atomic force microscopy" RWTH Aachen University 2025 Chemistry dataset Dataset Dimension Icon AFM Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Richtering, Walter Schulte, M. Friederike Bochenek, Steffen Kratzenberg, Timon 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 Richtering, Walter Schulte, M. Friederike Bochenek, Steffen Kratzenberg, Timon eng 10.1039/d5sm00522a 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/vnz5vq78c8t11r05 Schog, Simon PeakForce Tapping Measurements Belonging to the Publication: "From single microgels to dense microgel monolayers – investigation by atomic force microscopy" RWTH Aachen University 2025 Chemistry dataset Dataset Dimension Icon AFM Instrument info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Richtering, Walter Schulte, M. Friederike Bochenek, Steffen Kratzenberg, Timon 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 Richtering, Walter Schulte, M. Friederike Bochenek, Steffen Kratzenberg, Timon eng 10.1039/d5sm00522a 501100001659 application/x-tar

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

https://dx.doi.org/10.22000/0b754r92k72b6ngg Schog, Simon Data belonging to the Publication: "From single microgels to dense microgel monolayers – investigation by atomic force microscopy" RWTH Aachen University 2025 Chemistry dataset Parent dataset referencing to link relevant datasets together. Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Richtering, Walter Schulte, Friederike M. Bochenek, Steffen Kratzenberg, Timon 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 Richtering, Walter Schulte, Friederike M. Bochenek, Steffen Kratzenberg, Timon eng 10.1039/D5SM00522A 501100001659 application/x-tar rows=100@@searchMark=10.22000/0b754r92k72b6ngg@@set=radar4chem@@from=0001-01-01T00:00:00Z@@total=147@@until=9999-12-31T23:59:59Z@@metadataPrefix=oai_dc