Výsledky vyhľadávania - "Molecular scale"

Phonon interference in single-molecule junctions

Autori: Sai C. Yelishala Yunxuan Zhu P. M. Martinez a ďalší

Zdroj: Nature Materials. 24:1258-1264

Predmety: Coherent control, Electronics materials, Is-enabled, Molecular scale, Phonon vibrations, Photonic materials, Property, Single-molecule junctions, Thermal transport, Thermal vibration

Popis súboru: application/pdf

Prístupová URL adresa: https://pubmed.ncbi.nlm.nih.gov/40155556
https://www.nature.com/articles/s41563-025-02195-w
https://doi.org/10.1038/s41563-025-02195-w
https://hdl.handle.net/20.500.14243/541702

Nano-molecular response of bituminous coal to ScCO₂ at different stage: Experiments and ReaxFF-MD/DFT insights

Autori: Kui Dong Jianhua Xiang Shaoqi Kong a ďalší

Zdroj: Fuel Processing Technology, Vol 277, Iss , Pp 108305- (2025)

Predmety: ScCO2, Bituminous coal, Nano-molecular scale, Reaction stage, Fuel, TP315-360, Renewable energy sources, TJ807-830

Popis súboru: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0378382025001298; https://doaj.org/toc/0378-3820

Prístupová URL adresa: https://doaj.org/article/33e13a0d88e4483a91e4c560e126443a

TS2CG as a Membrane Builder

Autori: Fabian Schuhmann Jan A. Stevens Neda Rahmani a ďalší

Predmety: Biophysics, Biochemistry, Cell Biology, Genetics, Developmental Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, martini globe ), defined initial structure, capturing biological processes, c ++ core, grained membrane structures, showcase challenging simulations, membrane edges, simulations excel, proteins based, new tools, molecular scale, lipid domains, level modeling, lateral organization, high performance, equilibrium membranes, desired shape, continental plates, construct coarse, comprehensive set

Relation: https://figshare.com/articles/journal_contribution/TS2CG_as_a_Membrane_Builder/30032471

Dostupnosť: https://doi.org/10.1021/acs.jctc.5c00833.s003
https://figshare.com/articles/journal_contribution/TS2CG_as_a_Membrane_Builder/30032471

Molecular Insights into the Bio-oligomer Complexation with siRNA toward Therapeutic Applications

Autori: Desh Deepak Yadav Debdip Bhandary Pradip Paik

Predmety: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Biotechnology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, understand binding mechanisms, radial distribution function, phenylalanine methyl ester, order adsorption kinetics, low dose requirements, inflammatory disorders owing, high target specificity, dynamical parameters , offering valuable insights, holds immense potential, high molecular weight, drug encapsulation potential, treating complex diseases, targeted delivery systems, atomistically modeled sirna, 11 oligomers attaching, targeted delivery, molecular insights, molecular scale, therapeutic agent

Dostupnosť: https://doi.org/10.1021/acs.jpcb.5c03439.s001
https://figshare.com/articles/journal_contribution/Molecular_Insights_into_the_Bio-oligomer_Complexation_with_siRNA_toward_Therapeutic_Applications/29712259

Mapping Ion-Pair Dissociation Across the Hydration Spectrum of [HMIM][Cl]: A Molecular Dynamics Perspective

Autori: Sheng Xu Yumei Zhao Zhiling Xin a ďalší

Predmety: Biophysics, Biochemistry, Cell Biology, Biotechnology, Ecology, Inorganic Chemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, spatial distribution function, solvent accessible area, simulation results show, provide key parameters, local microstructure variation, finally almost replace, quantitative ion pairing, ion diffusion coefficient, il aqueous toward, il aqueous solution, pair dissociation across, mapping ion, il ), dissociation process, water content, still 35, related fields, rational design, pure ils, molecular scale

Dostupnosť: https://doi.org/10.1021/acs.jpcb.5c01934.s001
https://figshare.com/articles/journal_contribution/Mapping_Ion-Pair_Dissociation_Across_the_Hydration_Spectrum_of_HMIM_Cl_A_Molecular_Dynamics_Perspective/29410486

Demystifying Preferential Solvation Phenomena

Autori: Ariel A. Chialvo

Predmety: Biophysics, Biochemistry, Sociology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, kinetic rate constant, differential microstructural perturbation, ternary system involving, standard chemical potential, resulting solvation behavior, rigorous formal signature, fundamental molecular scale, unique molecular, solvent system, rigorous assessment, preferential solvation, fundamental structure, formal expressions, chemical reactions, universal representation, unambiguous assessment, thermodynamic responses, solvent environments, solvent composition, solute ’, precisely defined, nonsolvency processes, nondissociative species, make feasible

Relation: https://figshare.com/articles/journal_contribution/Demystifying_Preferential_Solvation_Phenomena/29218367

Dostupnosť: https://doi.org/10.1021/acs.jpcb.5c01517.s001
https://figshare.com/articles/journal_contribution/Demystifying_Preferential_Solvation_Phenomena/29218367

Variations in mineral prestrain, nanostructure, and microarchitecture play a role in intervertebral disc loading

Autori: Parmenter, Alissa L Newham, Elis Sharma, Aikta a ďalší

Zdroj: Cell Biomaterials , Article 100151. (2025) (In press).

Predmety: bone, cartilage, biomechanics, molecular-scale prestrain, mineralized nanocrystallites, synchrotron imaging, spine, X-ray diffraction, digital volume correlation, intervertebral disc

Popis súboru: application/pdf

Relation: https://discovery.ucl.ac.uk/id/eprint/10211734/1/CellBiomaterials_Parmenteretal2025.pdf; https://discovery.ucl.ac.uk/id/eprint/10211734/

Dostupnosť: https://discovery.ucl.ac.uk/id/eprint/10211734/1/CellBiomaterials_Parmenteretal2025.pdf
https://discovery.ucl.ac.uk/id/eprint/10211734/

Semant-NanoCore 33360: Quantum Semantic Units and Embedded Blockchains Molecular-Scale Bucky-Blocks for Infinite Semantic Storage and Solving the Chinese Typewriter Problem

Autori: Watchus, Berend

Predmety: Semant-NanoCore 33360, Quantum Semantic Units, Embedded Blockchains, Bucky-Blocks, Molecular-Scale Hardware, 3D Digital Language, Direct Semantic Encoding, C60 Buckminsterfullerene, Voxel Stream Protocol (VSP), Semantic Network Interface Layer (SNIL), Chinese Typewriter Problem, Molecular Computing, Nanotechnology, Quantum Information, AI Cognition, Self-Aware AI, Embodied AI, Data Provenance, Trustworthy AI, Immutable Memory, Post-Symbolic AI, Human-AI Symbiosis, Neuralink Research, Topological Data Analysis, Consciousness, Meaning Representation, Ethical AI, Quantum Superposition, Vibrational States, Chemical Functionalization, Nanofabrication, Data Compression, Universal Computing, Cognitive Architecture, Holistic Processing

Advanced Soft Porous Organic Crystal with Multiple Gas‐Induced Single‐Crystal‐to‐Single‐Crystal Transformations for Highly Selective Separation of Propylene and Propane

Autori: Lin Li Shuhong Zhao Huiming Huang a ďalší

Zdroj: Advanced Science, Vol 11, Iss 9, Pp n/a-n/a (2024)

Predmety: gas separation, gate opening, molecular‐scale shape‐memory effect, single‐crystal‐to‐single‐crystal, soft porous organic crystals, Science

Popis súboru: electronic resource

Relation: https://doaj.org/toc/2198-3844

Prístupová URL adresa: https://doaj.org/article/9bf8d8b3900b47fb8431ddc8a8f50956

Label-free biomolecular and cellular methods in small molecule epigallocatechin-gallate research

Autori: Beatrix Péter Inna Szekacs Robert Horvath

Zdroj: Heliyon, Vol 10, Iss 3, Pp e25603- (2024)

Predmety: Optical biosensors, Small molecule, Epigallocatechin-gallate, Label-free methods, Cell adhesion and movement, Molecular scale, Science (General), Q1-390, Social sciences (General), H1-99

Popis súboru: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844024016347; https://doaj.org/toc/2405-8440

Prístupová URL adresa: https://doaj.org/article/41d8530368fc4605b28ef07395852dc7

Gas adsorption behavior in shale reservoirs: Insights from molecular scale

Autori: Xia, Xuanzhe Jiao, Xinghe Li, Junqian a ďalší

Prispievatelia: Xia, Xuanzhe Jiao, Xinghe Li, Junqian a ďalší

Zdroj: Capillarity; Vol 13, No 3 (2024): December; 68-72 ; 2652-3310 ; 2709-2119

Predmety: Petroleum Enigineering, Shale reservoirs, methane, gas adsorption, molecular scale

Popis súboru: application/pdf

Relation: https://www.yandy-ager.com/index.php/cap/article/view/1604/pdf

Dostupnosť: https://www.yandy-ager.com/index.php/cap/article/view/1604

Research on the Interaction Mechanisms between ScCO 2 and Low-Rank/High-Rank Coal with the ReaxFF-MD Force Field

Autori: Kui Dong Shaoqi Kong Zhiyu Niu a ďalší

Zdroj: Molecules, Vol 29, Iss 13, p 3014 (2024)

Predmety: ScCO 2, low/high-rank coal, coal structure, nano-molecular scale, response mechanism, Organic chemistry, QD241-441

Relation: https://www.mdpi.com/1420-3049/29/13/3014; https://doaj.org/toc/1420-3049; https://doaj.org/article/b7ec25c950d546adadbdb1596f6c0c24

Dostupnosť: https://doi.org/10.3390/molecules29133014
https://doaj.org/article/b7ec25c950d546adadbdb1596f6c0c24

Macromolecular interactions in vitro, comparing classical and novel approaches

Autori: Velours, Christophe Aumont-Nicaise, Magali Uebel, Stephan a ďalší

Prispievatelia: Velours, Christophe Aumont-Nicaise, Magali Uebel, Stephan a ďalší

Zdroj: Digital.CSIC. Repositorio Institucional del CSIC
instname

Predmety: 0301 basic medicine, 0303 health sciences, Macromolecular Substances, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Proteins, DNA, Calorimetry, Ligands, Artificial binders, 3. Good health, 03 medical and health sciences, Artifcial binders, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, Humans, Double-stranded DNA breaks repair factors, Molecular Biology, Molecular scale biophysics, Macromolecular interactions

Popis súboru: application/pdf

Prístupová URL adresa: https://hal.archives-ouvertes.fr/hal-03224764/file/islandora_117196.pdf
https://pubmed.ncbi.nlm.nih.gov/33792745
http://hdl.handle.net/10261/253612
https://pubmed.ncbi.nlm.nih.gov/33792745/
https://europepmc.org/article/MED/33792745
https://digital.csic.es/handle/10261/253612
https://link.springer.com/article/10.1007/s00249-021-01517-5

Quantitative Single-Particle Fluorescence Imaging Elucidates Semiconductor Shell Influence on Ag@TiO2 Photocatalysis

Autori: Yujie Liu Kun Zhang Xiaochaoran Tian a ďalší

Zdroj: ACS Applied Materials & Interfaces. 13:7680-7687

Predmety: molecular-scale elucidation, TiO 2 thickness, Chemical Sciences not elsewhere classified, single-molecule imaging, Biophysics, activity fluctuation, Biochemistry, Mathematical analysis, 7. Clean energy, 01 natural sciences, Quantitative Single-Particle Fluore, Environmental Sciences not elsewhere classified, 0103 physical sciences, Genetics, Molecular Biology, light irradiation, charge carrier, parabolic-like distribution, TiO 2 layer, Cell Biology, Ag core, semiconductor shell, 0104 chemical sciences, redox conversion, photocatalytic redox reaction, NC, TiO 2 shell thickness, Developmental Biology, Biological Sciences not elsewhere classified

Prístupová URL adresa: https://pubmed.ncbi.nlm.nih.gov/33538572
https://pubmed.ncbi.nlm.nih.gov/33538572/
https://pubs.acs.org/doi/10.1021/acsami.0c18508
https://pubag.nal.usda.gov/catalog/7281485

Probing Molecular-Scale Oxidative Generation of Quinone Methides and Their Transformation Using Tip-Enhanced Raman Spectroscopy

Autori: Keng-Jia Hsu Chang-Lin Hsieh Chi-Jui Tsai a ďalší

Zdroj: The Journal of Physical Chemistry Letters. 12:1110-1115

Predmety: Tip-Enhanced Raman Spectroscopy Qui, TERS, tip-enhanced Raman spectroscopy, Chemical Sciences not elsewhere classified, vibrational features, 02 engineering and technology, Spectrum Analysis, Raman, transition metal, DFT, 01 natural sciences, transition metal complexes, Space Science, Environmental Sciences not elsewhere classified, oxidative addition reaction, Cell Line, Tumor, Humans, metal oxidant-mediated transformation, Indolequinones, Density Functional Theory, Cancer, Evolutionary Biology, Ecology, chemical detection tool, Quinone Methides, oxidative generation, Molecular-Scale Oxidative Generation, 0104 chemical sciences, phenol species, Medicine, QM-mediated reactions, 0210 nano-technology, QM species, Oxidation-Reduction, metal oxidants, Biological Sciences not elsewhere classified

Prístupová URL adresa: https://pubmed.ncbi.nlm.nih.gov/33475376
https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c03313
https://pubmed.ncbi.nlm.nih.gov/33475376/
https://www.ncbi.nlm.nih.gov/pubmed/33475376
https://pubs.acs.org/doi/10.1021/acs.jpclett.0c03313

A Molecular-Scale Understanding of Misorientation Toughening in Corals and Seashells.

Autori: Lew, Andrew J Stifler, Cayla A Tits, Alexandra a ďalší

Zdroj: Advanced Materials, 35 (28), e2300373 (2023-07)

Predmety: crystal misorientation, nacre, nanoindentation, synthetic spherulites, toughening, Calcium Carbonate, Minerals, Nacre, Animals, Animal Shells/chemistry, Calcium Carbonate/chemistry, Minerals/chemistry, Anthozoa, Nacre/chemistry, Biominerals, Living organisms, Misorientations, Molecular scale, Nano indentation, Polycrystalline, Synthetic spherulite, Vaterite, Materials Science (all), Mechanics of Materials, Mechanical Engineering, General Materials Science, Engineering, computing & technology, Ingénierie, informatique & technologie

Relation: https://onlinelibrary.wiley.com/doi/pdf/10.1002/adma.202300373; urn:issn:0935-9648; urn:issn:1521-4095

Prístupová URL adresa: https://orbi.uliege.be/handle/2268/305855

Molecular Origin of the Prepeak in the Structure Factor of Alcohols

Autori: Ghoufi, Aziz Jonchère, Laurent

Prispievatelia: Ghoufi, Aziz Jonchère, Laurent

Zdroj: The Journal of Physical Chemistry B. 124:11501-11509

Predmety: Molecular origins, Molecular dynamics simulations, Microphase separation, Binary mixtures, Core shell structure, Molecular dynamics, Long range correlations, Structure factors, 01 natural sciences, [PHYS] Physics [physics], 0104 chemical sciences, Pore size, Spatial heterogeneity, Molecular scale, Nanoconfinements

Prístupová URL adresa: https://pubmed.ncbi.nlm.nih.gov/33290063
https://pubmed.ncbi.nlm.nih.gov/33290063/
https://pubs.acs.org/doi/10.1021/acs.jpcb.0c09302
https://www.ncbi.nlm.nih.gov/pubmed/33290063
https://hal.science/hal-03130362v1
https://doi.org/10.1021/acs.jpcb.0c09302

Atomic and Close-to-Atomic Scale Manufacturing: A Review on Atomic Layer Removal Methods Using Atomic Force Microscopy

Autori: Fengzhou Fang Brian J. Rodriguez Paven Thomas Mathew

Zdroj: Nanomanufacturing and Metrology. 3:167-186

Predmety: Atomic force microscopy, Atomic-scale manufacturing, Molecular scale devices, Electrochemistry, 02 engineering and technology, 0210 nano-technology, 7. Clean energy

Popis súboru: application/pdf

Prístupová URL adresa: https://link.springer.com/content/pdf/10.1007/s41871-020-00067-2.pdf
https://researchrepository.ucd.ie/bitstream/10197/11994/2/Mathew2020_Article_AtomicAndClose-to-AtomicScaleM.pdf
https://link.springer.com/article/10.1007/s41871-020-00067-2
https://link.springer.com/content/pdf/10.1007/s41871-020-00067-2.pdf
https://researchrepository.ucd.ie/handle/10197/11994
http://hdl.handle.net/10197/11994

Metal Oxide Nanosheet: Synthesis Approaches and Applications in Energy Storage Devices (Batteries, Fuel Cells, and Supercapacitors)

Autori: Arnob Das Susmita Datta Peu Md. Sanowar Hossain a ďalší

Zdroj: Nanomaterials, Vol 13, Iss 6, p 1066 (2023)

Predmety: batteries, energy storage, fuel cells, metal oxide nanosheets, molecular-scale integration, supercapacitors, Chemistry, QD1-999

Relation: https://www.mdpi.com/2079-4991/13/6/1066; https://doaj.org/toc/2079-4991; https://doaj.org/article/88727d5538714720ae7b6cb74e8a2cdf

Dostupnosť: https://doi.org/10.3390/nano13061066
https://doaj.org/article/88727d5538714720ae7b6cb74e8a2cdf

THERMOCHEMICAL ENERGY STORAGE: FROM IN-SILICO CHARACTERIZATION TO FULL-SCALE EXPERIMENTATION: from in-silico characterization to full-scale experimentation

Autori: Shuiquan Lan Eldhose Iype M Mohammadreza Gaeini a ďalší

Zdroj: International Heat Transfer Conference 16. :441-453

Predmety: Grain scale, Proof-of-principle, Hydration/dehydration, TGA/DSC, Material scale, Reactor scale, Reactive force field, Thermochemical heat storage, Molecular scale, System scale, 7. Clean energy

Prístupová URL adresa: https://research.tue.nl/en/publications/thermochemical-energy-storage-from-in-silico-characterization-to-
https://www.narcis.nl/publication/RecordID/oai%3Apure.tue.nl%3Apublications%2Faddc49ba-d26d-4743-9a89-bed2cdb747f1