Results 251 to 260 of about 2,313,045 (347)

Theoretical Evaluation of Complex Dielectric Constant for Gamma Relaxation of Poly(methyl methacrylate), A Study of Quantum Chemistry and Linear Response Theory. [PDF]

ACS Omega
Okude S, Shen J, Nakamura S.
europepmc   +1 more source

Feature Selection for Machine Learning‐Driven Accelerated Discovery and Optimization in Emerging Photovoltaics: A Review

Advanced Intelligent Discovery, EarlyView.
Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang, Jiayi Tan, Qizhen Song, Tian Du, Jens Hauch, Christoph J. Brabec   +5 more
wiley   +1 more source

Revealing the mechanism underlying the phase transitions of high-amylose maize starch in ethylene glycol: An experimental and molecular dynamics simulation study. [PDF]

Food Chem X
Zhu Y, Ying L, Du X, Guo L, Zhu G, Lu H.
europepmc   +1 more source

Nanoparticles Functionalized with Polymer Brushes for Gene Delivery

Advanced NanoBiomed Research, EarlyView.
The engineering of the next generation gene delivery vectors requires the precise control of the architecture and physicochemical interactions controlling the transport, targeting, uptake, and release of nucleic acid materials to targeted cells. Polymer brush‐functionalized nanomaterials offer unprecedented control over such design and properties, and ...
Carlos E. Neri‐Cruz, Julien E. Gautrot
wiley   +1 more source

Molecular Dynamics-Assisted Interaction Between HABT and PI3K Enzyme: Exploring Metastable States for Promising Cancer Diagnosis Applications. [PDF]

J Comput Chem
Santos RM, Ramalho TC.
europepmc   +1 more source

Wet/Dry Bottlebrush Pressure Sensitive Adhesives via a Dangling Defect-Driven Design. [PDF]

ACS Appl Mater Interfaces
Clarke BR, Hu X, Petek E, Witt CL, Katsumata R, Watkins JJ, Crosby AJ, Tew GN.   +7 more
europepmc   +1 more source

Probing the Nonlinear Chiroptical Activity of Multiturn Aromatic Helices Using Linearly Polarized Light

Angewandte Chemie, EarlyView.
Chiral aromatic helices of different lengths were prepared, and their nonlinear optical activity was investigated using only linearly polarized incident light. Second‐harmonic scattering studies revealed distinct chiral and achiral contributions to the signal, thereby uncovering an intriguing relationship between the structure of the helices and their ...
Rita Borges‐Anastácio, Eric Merlet, Frédéric Adamietz, Brice Kauffmann, Yann Ferrand, Céline Olivier, Vincent Rodriguez   +6 more
wiley   +1 more source

DNA origami-enhanced force spectroscopy and AlphaFold structural analyses reveal the folding landscape of calcium-binding proteins. [PDF]

Sci Adv
Zhang H, Cañari-Chumpitaz C, Alexander L, Zhang H, Fan C, Bustamante C.   +5 more
europepmc   +1 more source

Revealing the Nature of Non‐Covalent Interactions in Ionic Liquids by Combined Pulse EPR and 19F NMR Spectroscopy

Angewandte Chemie, EarlyView.
Ionic liquids have been proposed as alternatives to molecular solvents. Here, spin probes and spin‐labelled ILs are studied by pulse electron paramagnetic resonance, paramagnetic relaxation enhancement NMR, molecular dynamics, and density functional theory, revealing the IL interaction sphere. The results challenge previous interpretations of nitroxide‐
Ciarán J. Rogers, Spyridon Koutsoukos, Jana Eisermann, Luke Wylie, Gavin J. Smith, Tom Welton, Maxie M. Roessler   +6 more
wiley   +1 more source

Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study. [PDF]

ACS Omega
Benatto L, da Silva GCQ, das Neves MFF, Souza JPA, Wouk L, Roman LS, Koehler M, Candiotto G.   +7 more
europepmc   +1 more source