Výsledky vyhľadávania - "Chemical structure"

Exploring helical fraying linked to dynamics and catalysis in adenylate kinase

Autori: Mattsson, Jonna Phoeurk, Chanrith Schierholz, Leon a ďalší

Zdroj: Biochemistry. 64:4281-4295

Predmety: Chemical structure, Conformational transitions, Crystal structure, Order, Peptides and proteins

Popis súboru: electronic

Prístupová URL adresa: https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-245964
https://doi.org/10.1021/acs.biochem.5c00306

Unraveling the Nature of Vibrational Dynamics in CsPbI 3 by Inelastic Neutron Scattering and Molecular Dynamics Simulations

Autori: Lavén, Rasmus Fransson, Erik Erhart, Paul a ďalší

Zdroj: Analys och modelleringstjänst för tekniska material studerad med neutroner Yt/gränsskiktsdynamik undersökt med neutronspridning Fasbeteende och elektroniska egenskaper hos halogenid-perovskiter från simulering på atomskala Karbider som vätefällor i stål Journal of Physical Chemistry Letters. 16(19):4812-4818

Predmety: Phase transitions, Perovskites, Materials, Chemical structure, Scattering

Popis súboru: electronic

Prístupová URL adresa: https://research.chalmers.se/publication/546522
https://research.chalmers.se/publication/546522/file/546522_Fulltext.pdf

Octahedral Tilt-Driven Phase Transitions in BaZrS 3 Chalcogenide Perovskite

Autori: Kayastha, Prakriti Fransson, Erik Erhart, Paul a ďalší

Zdroj: Journal of Physical Chemistry Letters. 16:2064-2071

Predmety: Phase transitions, Chemical structure, Perovskites, Particulate matter, Diffraction

Popis súboru: electronic

Prístupová URL adresa: https://research.chalmers.se/publication/545282
https://research.chalmers.se/publication/545282/file/545282_Fulltext.pdf

Nanoscale self-assembly and water retention properties of silk fibroin–riboflavin hydrogel.

Autori: Kumari, Aarti K P, Ganiya Shirin Saharay, Moumita

Zdroj: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-17. 17p.

Predmety: *SILK fibroin, *CHEMICAL structure, *MOLECULAR structure, *THERMAL conductivity, *HYDROGELS, *VITAMIN B2

Structural and bonding properties of Ta2Cn^−/0 (n = 1–7) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations.

Autori: Zhang, Chao-Jiang Xu, Hong-Guang Xu, Xi-Ling a ďalší

Zdroj: Journal of Chemical Physics. 11/21/2024, Vol. 161 Issue 19, p1-12. 12p.

Predmety: *FRONTIER orbitals, *CHEMICAL structure, *MOLECULAR orbitals, *CHEMICAL bonds, *ANALYTICAL chemistry, *FULLERENES

FUNCTIONAL GROUPS AND STRUCTURAL FEATURES OF ANTIOXIDANTS: A REVIEW.

Autori: Ruseva, Nina Bakalova, Adriana Cherneva, Emiliya

Zdroj: Journal of Chemical Technology & Metallurgy. 2025, Vol. 60 Issue 6, p881-912. 32p.

Predmety: *FUNCTIONAL groups, *CHEMICAL structure, *MOLECULAR structure, *OXIDATIVE stress, *POLYPHENOLS, *ANTIOXIDANTS, *BIOACTIVE compounds

Synthesis of Shrinkage-Reducing Admixture with Different Branch Chain Structures and Its Effect on the Drying Shrinkage of Cement-Based Materials.

Autori: Zhang, Wenyan Kang, Wenjing Na, Seunghyun a ďalší

Zdroj: Journal of Materials in Civil Engineering. Dec2025, Vol. 37 Issue 12, p1-13. 13p.

Predmety: *CEMENT composites, *CHEMICAL structure, *VISCOSITY, *MICROSTRUCTURE, *CONTACT angle, *SURFACE tension

Two new polyacetylenes from Bidens parviflora.

Autori: Li, Chuan-Hou Jiang, Guang-Hui Yao, Jing-Chun a ďalší

Zdroj: Journal of Asian Natural Products Research. Nov2025, p1-8. 8p. 3 Illustrations.

Predmety: *POLYACETYLENES, *CHEMICAL structure, *SPECTROMETRY, *TRADITIONAL medicine, *HERBAL medicine, *NUCLEAR magnetic resonance, *MASS spectrometry

Chemical Structure of a Branched α-d-Glucan from the Eggs of Sea Urchin Tripneustes gratilla.

Autori: Bilan, Maria I. Argunov, Dmitry A. Torgov, Vladimir I. a ďalší

Zdroj: International Journal of Molecular Sciences. Nov2025, Vol. 26 Issue 21, p10326. 13p.

Predmety: *CHEMICAL structure, *POLYSACCHARIDES, *NUCLEAR magnetic resonance spectroscopy, *SEA urchins, *OLIGOSACCHARIDES

FAIRSpec-ready spectroscopic data collections – advice for researchers, authors, and data managers (IUPAC Technical Report).

Autori: Archibald, Mark Bruno, Ian Chalk, Stuart a ďalší

Zdroj: Pure & Applied Chemistry. Nov2025, Vol. 97 Issue 11, p1479-1510. 32p.

Predmety: *DATA management, *CHEMICAL structure, *ACQUISITION of data, *ORGANIZATION, *SPECTRUM analysis, *DATA extraction, *RESEARCH protocols

Kunst trifft Wissenschaft: Runges chemische Musterbilder.

Autori: Boeck, Gisela Kraft, Alexander

Zdroj: Chemie in unserer Zeit. Oct2025, p1. 13p. 14 Illustrations.

Predmety: *ART, *CHEMICAL structure, *EMPIRICAL research, *BIOGRAPHY (Literary form)

A new lupane glycoside isolated from Dendrobium officinale with α‐glucosidase inhibitory activity.

Autori: Yen, Pham Hai Hang, Dan Thi Thuy Tra, Dinh Thu a ďalší

Zdroj: Vietnam Journal of Chemistry. Oct2025, Vol. 63 Issue 5, p810-816. 7p.

Predmety: *DENDROBIUM, *CHEMICAL structure, *ORCHIDS, *ESTERS, *ACIDS

MolCL-SP: a multimodal contrastive learning framework with non-overlapping substructure perturbations for molecular property prediction Open Access.

Autori: Luo, Yue Deng, Lei

Zdroj: Bioinformatics. Oct2025, Vol. 41 Issue 10, p1-9. 9p.

Predmety: *CHEMICAL structure, *MOLECULAR models, *DATA augmentation, *MACHINE learning, *TRANSFORMER models

Evaluation of the Effect of Post-Curing Times on the Optical and Mechanical Properties and the Chemical Structure of Different 3D-Printed and Conventional Temporary Crown Materials.

Autori: Tosun, Büşra Uysal, Nur Özdoğan, Alper a ďalší

Zdroj: International Journal of Prosthodontics; 2025, Vol. 38 Issue 5, p570-580, 11p

Predmety: CURING, MECHANICAL behavior of materials, CHEMICAL structure, DENTAL materials, THREE-dimensional printing, POLYMERIZATION, FLEXURAL strength, OPTICAL properties

Quantitation of the piezoelectric coefficients of room temperature ionic liquids.

Autori: Olusegun, Sunday J. Blanchard, Sheryl S. Baker, Gary A. a ďalší

Zdroj: Journal of Chemical Physics; 8/7/2025, Vol. 163 Issue 5, p1-6, 6p

Predmety: PIEZOELECTRICITY, IONIC liquids, CRYSTALS, CHEMICAL structure, CATIONS

Bonding and the dynamics of glassy network liquids.

Autori: Brown, M. H. Wolynes, P. G.

Zdroj: Journal of Chemical Physics; 7/28/2025, Vol. 163 Issue 4, p1-13, 13p

Predmety: VISCOSITY, INTERFACIAL bonding, CHEMICAL structure, METALLIC glasses, VISCOELASTICITY, BRITTLENESS

Structures and chemical bonding of B6O5^0/−/2−: The first boron oxide clusters with five-membered ring and their structural diversity.

Autori: Tian, Wen-Juan Guo, Zi-Yan Yan, Miao

Zdroj: Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-6. 6p.

Predmety: *CHEMICAL bonds, *CHEMICAL structure, *BORON oxide, *CHEMICAL bond lengths, *ANALYTICAL chemistry

Relative cooperativity in neutral and charged molecular clusters using QM/MM calculations.

Autori: Nochebuena, Jorge Liu, Shubin Cisneros, G. Andrés

Zdroj: Journal of Chemical Physics. 4/7/2024, Vol. 160 Issue 13, p1-11. 11p.

Predmety: *MOLECULAR clusters, *CHEMICAL structure, *DENSITY functional theory, *CHEMICAL properties, *ELECTRONIC structure, *INTERMOLECULAR interactions

Subgrapher: visual fingerprinting of chemical structures.

Autori: Morin, Lucas Meijer, Gerhard Ingmar Weber, Valéry a ďalší

Zdroj: Journal of Cheminformatics. 9/29/2025, Vol. 17 Issue 1, p1-11. 11p.

Predmety: *CHEMICAL fingerprinting, *CHEMICAL structure, *FEATURE extraction, *MATERIALS science, *EXTRACTION techniques, *DRUG discovery, *IMAGE segmentation

Unveiling the five-membered ring structures in "soft" coke deposits on Fe–Ni catalysts: formation mechanisms and implications for biomass catalytic reforming.

Autori: Lang, Wenkai Deng, Jin Liu, Xin a ďalší

Zdroj: Green Chemistry. 9/21/2025, Vol. 27 Issue 35, p10633-10655. 23p.

Predmety: *CHEMICAL structure, *REACTION mechanisms (Chemistry), *PYROLYSIS gas chromatography, *HETEROCYCLIC compounds, *IRON catalysts, *CATALYTIC reforming, *CATALYST poisoning, *CARBON-based materials