1 to 10 of 22 Results
Jun 19, 2023
Sowiński, Mateusz P.; Gahlawat, Sahil; Lund, Bjarte A.; Warnke, Anna-Luisa; Hopmann, Kathrin H.; Lovett, Janet E.; Haugland, Marius M., 2022, "Replication Data for: Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times", https://doi.org/10.18710/UQMMZE, DataverseNO, V3
Nitroxides are widely used as probes and polarization transfer agents in spectroscopy and imaging.These applications require high stability towards reducing biological environments, as well as beneficial relaxation properties. Closed spirocyclohexyl nitroxides exhibit a dramatica... |
Jun 19, 2023
Baussière, Floriane; Haugland, Marius Myreng, 2023, "Replication Data for: Radical Group Transfer of Vinyl and Alkynyl Silanes Driven by Photoredox Catalysis", https://doi.org/10.18710/U5RNGE, DataverseNO, V1
Radical group transfer is a powerful tool for the formation of C–C bonds. These processes typically involve radical addition to C–C π bonds, followed by fragmentation of the cyclic intermediate. Despite the advantageous lability of organosilanes in this context, silicon-tethered... |
May 9, 2023
Rainsford, Philip; Rylandsholm, Fredrik G.; Jakubec, Martin; Silk, Mitchell; Juskewitz, Eric; Ericson, Johanna U.; Svendsen, John S.; Engh, Richard A.; Isaksson, Johan, 2023, "Supplementary Data for: Label-free measurement of antimicrobial peptide interactions with lipid vesicles and nanodiscs using microscale thermophoresis", https://doi.org/10.18710/XZB5KI, DataverseNO, V1
This dataset contains raw data traces from Surface Plasmon Resonance (SPR) and Microscale Thermophoresis (MST) experiments aimed at determining the binding affinity of peptides with lipid vesicles and lipid nanodiscs. The SPR data consists of responses obtained from cycles of pep... |
Gerez Sazo, Gabriel Adolfo; Di Remigio Eikås, Roberto; Frediani, Luca, 2022, "Supporting Data for: Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework", https://doi.org/10.18710/TFSWLC, DataverseNO, V2
Supplementary material to an article submitted for review, about the PCM implementation in the MRChem software (https://github.com/MRChemSoft/mrchem), entitled "Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework" (2022-11-03). We prese... |
Feb 23, 2023
Eikås, Karolina Di Remigio; Krupova, Monika; Kristoffersen, Tone; Beerepoot, Maarten T. P.; Ruud, Kenneth, 2023, "Replication Data for: Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?", https://doi.org/10.18710/FBHIJK, DataverseNO, V1
This dataset contains output files for a conformational search (CREST 2.10), single point energies,optimized geometries, frequencies and VCD properties (Gaussian 16 Rev. B.01) for the eight molecules and their absolute configurations (AC): Cyclo(Ala-bAla-Pro-bAla): SS, SR Cyclo(A... |
Jan 4, 2023
Langdal, Andreas, 2022, "Dataset for the article Climate Performance, Environmental Toxins and Nutrient Density of the Underutilized Norwegian Orange-Footed Sea Cucumber (Cucumaria frondosa)", https://doi.org/10.18710/D4GLZZ, DataverseNO, V2
Dataset for the article Climate Performance, Environmental Toxins and Nutrient Density of the Underutilized Norwegian Orange-Footed Sea Cucumber (Cucumaria frondosa) (DOI: 10.3390/foods12010114). The data is split into several different parts: A carbon dioxide equivalent estimati... |
Nov 18, 2022
Langer, Manuel Karl; Zilioli, Francesco; Bayer, Annette, 2022, "Replication Data for: A concise SAR-analysis of antimicrobial cationic amphipathic barbiturates for an improved activity-toxicity profile", https://doi.org/10.18710/GNTWOG, DataverseNO, V2
This dataset contains the analytical data of 58 amphipathic, tetrasubstituted barbituric acid derivatives and their synthetic intermediates. The analytical data includes NMR raw data and HRMS, IR and SFC data as PDF files. The barbituric acid derivatives were constructed to be mi... |
Nov 17, 2022
Langer, Manuel Karl; Bayer, Annette, 2022, "Replication Data for: Investigation of Tetrasubstituted Heterocycles Reveals Hydantoins as a Promising Scaffold for Development of Novel Antimicrobials with Membranolytic Properties", https://doi.org/10.18710/A6AJN4, DataverseNO, V1
This dataset contains the analytical data of 20 amphipathic, tetrasubstituted hydantoin derivatives and derivatives of four additional heterocycles, as wells as all the synthetic intermediates. The analytical data includes NMR raw data and HRMS, IR and SFC data as PDF files. All... |
Wind, Peter, 2022, "Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties", https://doi.org/10.18710/96NRIX, DataverseNO, V1
Supplementary material to an article submitted for review, about the MRChem software (https://github.com/MRChemSoft/mrchem), entitled "The MRChem multiresolution analysis code for molecular electronic calculations structure: performance and scaling properties" |
Apr 29, 2022
Eikås, Karolina Di Remigio; Ruud, Kenneth; Beerepoot, Maarten T. P., 2022, "Replication Data for: A Computational Protocol for VCD spectra of Cyclic Peptides", https://doi.org/10.18710/VITGV3, DataverseNO, V1
This dataset contains output files for a conformational search (CREST 2.8), optimized geometries, frequencies and Vibrational Circular Dichroism (VCD) properties (Gaussian 16 Rev. B.01) for the seven molecules cyclo(Ala-bAla-Ala-bAla), Cyclo(Ala-bAla-Pro-bAla), Cyclo(Pro-bAla-Pro... |
