Výsledky vyhľadávania - "Molecule dynamics"

High-strong-ductile magnesium alloys by interactions of nanoscale quasi-long period stacking order unit with twin

Autori: Lutong Zhou Tingting Niu Guodong Zou a ďalší

Zdroj: Journal of Magnesium and Alloys, Vol 12, Iss 12, Pp 4953-4965 (2024)

Predmety: Mining engineering. Metallurgy, TN1-997, Molecule dynamics, High resolution TEM, Twin boundary, QLPSO

Prístupová URL adresa: https://doaj.org/article/7aba8bc93e30459080e7ae6b3a1804da
https://rgu-repository.worktribe.com/output/2235450

From water molecules mobility to water-resistance of swollen oriented and non-oriented cellulose nanofibrils cryogels

Autori: Charlie, Rouillon Loïc, Foucat Chaunier, Laurent a ďalší

Prispievatelia: Charlie, Rouillon Loïc, Foucat Chaunier, Laurent a ďalší

Zdroj: Cellulose. 31:10191-10207

Predmety: Morphology, [CHIM.MATE] Chemical Sciences/Material chemistry, [CHIM.POLY] Chemical Sciences/Polymers, [CHIM.POLY]Chemical Sciences/Polymers, Water molecule dynamics, Mechanical compression, Cellulose nanofibrils, Porous materials, [CHIM.MATE]Chemical Sciences/Material chemistry, Absorption capacity

Popis súboru: application/pdf

Prístupová URL adresa: https://hal.inrae.fr/hal-04743294v1
https://doi.org/10.1007/s10570-024-06178-z
https://hal.inrae.fr/hal-04743294v1/document

Single-molecule dynamics of human mitochondrial transcription

Autori: Cunnison, Rory

Predmety: Single-Molecule Dynamics, human, mitochondrial transcription, mtrnap, TFAM, TFB2M, TEFM, Thesis

Prístupová URL adresa: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.890418

Polaron-assisted nonadiabatic dynamics in protonated TiO2 with surface water molecule

Autori: Zhongfei Xu Chuanjia Tong Rutong Si a ďalší

Zdroj: ChemPhysMater, Vol 2, Iss 4, Pp 331-336 (2023)

Predmety: Protonated, Anatase, Physics, QC1-999, Nonadiabatic molecule dynamics, 02 engineering and technology, 7. Clean energy, 01 natural sciences, 0104 chemical sciences, Chemistry, Polaron-H2O coupling, 0210 nano-technology, QD1-999, Lifetime

Prístupová URL adresa: https://doaj.org/article/d3bb1bb4989041e483158e432d9422f0

Characterizing Hydrated Polymers via Dielectric Relaxation Spectroscopy: Connecting Relative Permittivity, State of Water, and Salt Transport Properties of Sulfonated Polysulfones

Autori: Sean M. Bannon Beatrice M. Tremblay Andrew Boudreau a ďalší

Predmety: Biophysics, Biochemistry, Medicine, Pharmacology, Sociology, Marine Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, promising membrane material, much remains unknown, energy generation processes, connecting relative permittivity, characteristic time scale, guide engineering strategies, salt transport properties, modeling ion transport, g ., water, water molecule dynamics, develop strategies, sulfonated polysulfone, sulfonated polymers, sulfonate groups, sulfonate group, results may, polymers play, key role, fundamental interactions

Relation: https://figshare.com/articles/journal_contribution/Characterizing_Hydrated_Polymers_via_Dielectric_Relaxation_Spectroscopy_Connecting_Relative_Permittivity_State_of_Water_and_Salt_Transport_Properties_of_Sulfonated_Polysulfones/29645293

Dostupnosť: https://doi.org/10.1021/acs.macromol.5c00616.s001
https://figshare.com/articles/journal_contribution/Characterizing_Hydrated_Polymers_via_Dielectric_Relaxation_Spectroscopy_Connecting_Relative_Permittivity_State_of_Water_and_Salt_Transport_Properties_of_Sulfonated_Polysulfones/29645293

Localization and Single Molecule Dynamics of Bacillus subtilis Penicillin-Binding Proteins Depend on Substrate Availability and Are Affected by Stress Conditions

Autori: Lisa Stuckenschneider Peter L. Graumann

Zdroj: Cells ; Volume 14 ; Issue 6 ; Pages: 429

Predmety: bacterial cell wall synthesis, penicillin-binding proteins, Bacillus subtilis, single molecule dynamics

Popis súboru: application/pdf

Relation: https://dx.doi.org/10.3390/cells14060429

Dostupnosť: https://doi.org/10.3390/cells14060429

Molecular Dynamics Simulations of CeO2 Nano-Fuel: Thermodynamic and Kinetic Properties

Autori: Rui Zhang Jianbo Zhou Yingjie Zhao a ďalší

Zdroj: Symmetry ; Volume 17 ; Issue 2 ; Pages: 296

Predmety: nano-fuel, combustion, thermal properties, molecule dynamics

Popis súboru: application/pdf

Relation: Engineering and Materials; https://dx.doi.org/10.3390/sym17020296

Dostupnosť: https://doi.org/10.3390/sym17020296

Individual Molecules Dynamics in Reaction Network Models

Autori: Cappelletti, D Rempala, GA

Zdroj: SIAM Journal on Applied Dynamical Systems. 22:1344-1382

Predmety: Molecular Networks (q-bio.MN), Probability (math.PR), Populations and Evolution (q-bio.PE), 60J28, 92C40, 92C42, 60F05, Dynamical Systems (math.DS), 01 natural sciences, single-molecule dynamics, mathematical epidemiology, law of large numbers, Poisson process representation, stochastic approximation, dynamical survival analysis, Skorokhod topology, FOS: Biological sciences, FOS: Mathematics, Quantitative Biology - Molecular Networks, Mathematics - Dynamical Systems, 0101 mathematics, Quantitative Biology - Populations and Evolution, Mathematics - Probability

Popis súboru: application/pdf

Prístupová URL adresa: http://arxiv.org/abs/2111.08559

Quantum mechanically derived biomolecular force fields

Autori: Allen, Alice Payne, Michael Cole, Daniel

Prispievatelia: Allen, Alice Payne, Michael Cole, Daniel

Predmety: Force Fields, Molecule Dynamics, DFT, ONETEP, Proteins

Prístupová URL adresa: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.774712

Apport de la microscopie de fluorescence super-résolue : dans l’intimité des virus !

Autori: Arone, Coline Dibsy, Rayane Inamdar, Kaushik a ďalší

Zdroj: Virologie. 2021, Vol. 25(3), p. 153-167.

Dostupnosť: https://stm.cairn.info/revue-virologie-2021-3-page-153?lang=fr

Illuminating the nanoscopic world of viruses by fluorescence super-resolution microscopy

Autori: Arone, Coline Dibsy, Rayane Inamdar, Kaushik a ďalší

Zdroj: Virologie. 2021, Vol. 25(3), p. 47-60.

Dostupnosť: https://stm.cairn.info/revue-virologie-2021-3-page-47?lang=en

Preventing Superoxide Generation on Molecule-Protected CH3NH3PbI3 Perovskite: A Time-Domain Ab Initio Study

Autori: Jinlu He Yonghao Zhu Weihai Fang a ďalší

Zdroj: The Journal of Physical Chemistry Letters. 12:1664-1670

Predmety: electron, Chemical Sciences not elsewhere classified, Immunology, Biophysics, trap state, Biochemistry, 01 natural sciences, 7. Clean energy, CH 3 NH 3 PbI 3 system, CH 3 NH 3 PbI 3 conduction band, oxygen molecule, PDI midgap state, Preventing Superoxide Generation, Time-Domain Ab Initio Study Metal h, Ecology, Cell Biology, Hematology, Molecule-Protected CH 3 NH 3 PbI 3, stability, 0104 chemical sciences, 3. Good health, NA, molecule dynamics simulations, charge carrier lifetime, Physical Sciences not elsewhere classified, Biotechnology, Biological Sciences not elsewhere classified

Prístupová URL adresa: https://pubmed.ncbi.nlm.nih.gov/33555885
http://www.ncbi.nlm.nih.gov/pubmed/33555885
https://europepmc.org/article/MED/33555885
https://pubs.acs.org/doi/10.1021/acs.jpclett.0c03851
https://www.ncbi.nlm.nih.gov/pubmed/33555885

A Singular Molecule-to-Molecule Transformation on Video: The Bottom-Up Synthesis of Fullerene C-60 from Truxene Derivative C60H30

Autori: Lungerich, Dominik Hölzel, Helen Harano, Koji a ďalší

Zdroj: ACS Nano. 15(8):12804-12814

Predmety: cyclodehydrogenation, DFT-modeling, fullerene, transmission electron microscopy, polycyclic aromatic hydrocarbon, single-molecule dynamics

Prístupová URL adresa: https://research.chalmers.se/publication/526122

Experimental study and molecular dynamics simulation of oxidation mechanisms of direct-sintered silicon carbide

Autori: ZHANG Yue JIANG Rong ZHANG Leicheng a ďalší

Zdroj: Journal of Aeronautical Materials, Vol 42, Iss 4, Pp 28-38 (2022)

Predmety: silicon carbide, passive oxidation, oxidation mechanism, oxygen diffusion, molecule dynamics, Motor vehicles. Aeronautics. Astronautics, TL1-4050

Popis súboru: electronic resource

Relation: https://doaj.org/toc/1005-5053

Prístupová URL adresa: https://doaj.org/article/0a40302c2edd40ad995b691f9d04458f

Network pharmacology-based predictions of active components and pharmacological mechanisms of Artemisia annua L. for the treatment of the novel Corona virus disease 2019 (COVID-19)

Autori: Yexiao Tang Xiaobo Li Yueming Yuan a ďalší

Zdroj: BMC Complementary Medicine and Therapies, Vol 22, Iss 1, Pp 1-16 (2022)

Predmety: Artemisia annua L., COVID-19, Network pharmacology, Molecular docking, Molecule dynamics, MM-GBSA, Other systems of medicine, RZ201-999

Popis súboru: electronic resource

Relation: https://doaj.org/toc/2662-7671

Prístupová URL adresa: https://doaj.org/article/88f43e67ddcb443f9c92f521f7c2a39f

Multi-scale First-Principles Modeling of Three-Phase System of Polymer Electrolyte Membrane Fuel Cel

Prispievatelia: Jang, Seung

Zdroj: ECS Transactions; 50; 2; Conference: 222nd ECS Meeting, Honolulu, Hawai’I, October 7 -12, 2012

Popis súboru: Medium: ED; Size: 155 - 160

Prístupová URL adresa: http://www.osti.gov/scitech/servlets/purl/1084696

Nanoscale Dynamics of Amyloid β‑42 Oligomers As Revealed by High-Speed Atomic Force Microscopy

Autori: Banerjee, Siddhartha Sun, Zhiqiang Hayden, Eric Y a ďalší

Zdroj: ACS Nano. 11(12)

Predmety: Aging, Acquired Cognitive Impairment, Alzheimer's Disease, Brain Disorders, Neurodegenerative, Dementia, Alzheimer's Disease including Alzheimer's Disease Related Dementias (AD/ADRD), Amyloid beta-Peptides, Humans, Microscopy, Atomic Force, Molecular Dynamics Simulation, Nanoparticles, Protein Conformation, amyloid beta-protein, amyloid oligomers, Alzheimer's disease, single-molecule dynamics, atomic force microscopy, AFM time lapse, Alzheimer’s disease, amyloid β-protein, Nanoscience & Nanotechnology

Popis súboru: application/pdf

Prístupová URL adresa: https://escholarship.org/uc/item/7zf1m0bt
https://escholarship.org/content/qt7zf1m0bt/qt7zf1m0bt.pdf

Role of ammonia addition on polycyclic aromatic hydrocarbon growth: A ReaxFF molecular dynamics study

Autori: Xu, Y Mao, Q Wang, Y a ďalší

Zdroj: Combustion and Flame , 250 , Article 112651. (2023)

Predmety: Ammonia, PAHs, Molecule dynamics, Quantum chemistry, HACA pathway, Soot, Carbon-free

Popis súboru: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10166768/1/Luo%202023%20CNF%20PAH%20accepted.pdf; https://discovery.ucl.ac.uk/id/eprint/10166768/

Dostupnosť: https://discovery.ucl.ac.uk/id/eprint/10166768/1/Luo%202023%20CNF%20PAH%20accepted.pdf
https://discovery.ucl.ac.uk/id/eprint/10166768/

Gating of β-Barrel Protein Pores, Porins, and Channels: An Old Problem with New Facets

Autori: Lauren A. Mayse Liviu Movileanu

Zdroj: International Journal of Molecular Sciences, Vol 24, Iss 15, p 12095 (2023)

Predmety: membrane proteins, electrophysiology, protein folding, single-molecule dynamics, conformational transitions, Biology (General), QH301-705.5, Chemistry, QD1-999

Relation: https://www.mdpi.com/1422-0067/24/15/12095; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067; https://doaj.org/article/5a3977b15dcb404ab5d2abcc8c46cc9b

Dostupnosť: https://doi.org/10.3390/ijms241512095
https://doaj.org/article/5a3977b15dcb404ab5d2abcc8c46cc9b

Understanding Structure-property Relationships between Tribological Properties and Chemistry of Phosphonium Ionic Liquids

Autori: Liu, Ting

Predmety: Mechanical engineering, Molecule dynamics, Phosphonium ionic liquids, Structure-property relationships, Tribological properties

Popis súboru: application/pdf

Prístupová URL adresa: https://escholarship.org/uc/item/3qn4q432
https://escholarship.org/content/qt3qn4q432/qt3qn4q432.pdf