Results 71 to 80 of about 2,313,045 (347)

Transmembrane Activation of Catalysis and Protein Refolding in Synthetic Cells by Enzymes and Nanozymes

Advanced Functional Materials, EarlyView.
Synthetic cells are engineered herein to respond to an external chemical messenger by the activation of intracellular catalysis. The chemical messenger molecules are catalytically generated by an extracellular enzyme or a mineral surface, whereas the intracellular catalysis emerges via direct enzyme activation or via protein refolding.
Dante G. Andersen, Andreas B. Pedersen, Mireia Casanovas Montasell, Søren Moesgaard, Anja Bille Bohn, Alexander N. Zelikin   +5 more
wiley   +1 more source

Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ2P:P′]-μ-chlorido-chlorido-1κCl-(1-phenylthiourea-2κS)disilver acetonitrile hemisolvate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the dinuclear title complex, [Ag2Cl2(C7H8N2S)(C25H22P2)2]·0.5CH3CN, each AgI ion displays a distorted tetrahedral coordination geometry with two P atoms from two bis(diphenylphosphanyl)methane (dppm) ligands, one bridging chloride ion, one terminal ...
Arunpatcha Nimthong-Roldán, Janejira Ratthiwal, Yupa Wattanakanjana   +2 more
doaj   +1 more source

Atomic force microscopy—A tool for structural and translational DNA research

APL Bioengineering, 2021
Atomic force microscopy (AFM) is a powerful imaging technique that allows for structural characterization of single biomolecules with nanoscale resolution.
Kavit H. S. Main, J. I. Provan, Phil Haynes, G. Wells, J. Hartley, Alice L. B. Pyne   +5 more
semanticscholar   +1 more source

Side‐Chains Engineered Self‐Assembly of Ortho‐Benzodipyrrole‐Based Acceptors: Comprehensive Exploration of Structure‐Interface‐Photovoltaics Correlations

Advanced Functional Materials, EarlyView.
The side‐chain configuration in the bay region of C‐shaped ortho‐benzodipyrrole‐based non‐fullerene acceptors plays a crucial role in their self‐assembly, single‐crystal structures, and optoelectronic properties. The closely correlated molecular structure and performance underscore the importance of minimizing A–A self‐aggregation and enhancing D–A ...
Yung‐Jing Xue, Chen‐Yu Chang, Chieh‐Ming Hung, Chi‐Chun Tseng, Je‐Wei Chang, Chun‐Jen Su, Chia‐Lin Tsai, Han‐Cheng Lu, Kuo‐Hsiu Huang, Kuei‐Yu Tai, Chien‐Yi Ku, Chia‐Shing Wu, Su‐Ying Chien, Shang‐Da Yang, Bing‐Huang Jiang, Chih‐Ping Chen, Pi‐Tai Chou, U‐Ser Jeng, Yen‐Ju Cheng   +18 more
wiley   +1 more source

Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules

Scientific Reports
In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field method OPLS ...
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh   +2 more
doaj   +1 more source

Modification of a single-molecule AFM probe with highly defined surface functionality

Beilstein Journal of Nanotechnology, 2014
Single-molecule force spectroscopy with an atomic force microscope has been widely used to study inter- and intramolecular interactions. To obtain data consistent with single molecular events, a well-defined method is critical to limit the number of ...
Fei Long, Bin Cao, Ashok Khanal, Shiyue Fang, Reza Shahbazian-Yassar   +4 more
doaj   +1 more source

Transfer Hydrogenation in Open-Shell Nucleotides — A Theoretical Survey

Molecules, 2014
The potential of a larger number of sugar models to act as dihydrogen donors in transfer hydrogenation reactions has been quantified through the calculation of hydrogenation energies of the respective oxidized products.
Florian Achrainer, Hendrik Zipse
doaj   +1 more source

Cooperative Dynamics in Unentangled Polymer Fluids

, 2001
We present a Generalized Langevin Equation for the dynamics of interacting semiflexible polymer chains, undergoing slow cooperative dynamics. The calculated Gaussian intermolecular center-of-mass and monomer potentials, wich enter the GLE, are in ...
A. Kolinski, F. J. Vesely, J. P. Hansen, K. Kremer, K. S. Schweizer, K. S. Schweizer, M. Bixon, M. Doi, M. Guenza, M. Guenza, P. J. Flory, P.-G. de Gennes   +11 more
core   +1 more source

Pressure Calculation in Polar and Charged Systems using Ewald Summation: Results for the Extended Simple Point Charge Model of Water [PDF]

, 1998
Ewald summation and physically equivalent methods such as particle-mesh Ewald, kubic-harmonic expansions, or Lekner sums are commonly used to calculate long-range electrostatic interactions in computer simulations of polar and charged substances.
Gerhard Hummer, Martin Neumann, Niels Gro/nbech-Jensen, Smith W.   +3 more
core   +3 more sources

Transforming Cellulose Into Functional Three‐Dimensional Structures

Advanced Functional Materials, EarlyView.
Cellulose is promising for replacing synthetic polymers due to its excellent mechanical properties and low cost. This review highlights the recent advancements in transforming cellulose into functional 3D structures, including liquid gels and porous materials.
Xia Sun, Hao Sun, Penghui Zhu, Yonggang Wu, Anna Palmer, Feng Jiang   +5 more
wiley   +1 more source