Results 81 to 90 of about 14,518 (256)

CrystalShift: A Versatile Command-Line Tool for Crystallographic Structural Data Analysis, Modification, and Format Conversion Prior to Solid-State DFT Calculations of Organic Crystals

Computation
CrystalShift is an open-source computational tool tailored for the analysis, transformation, and conversion of crystallographic data, with a particular emphasis on organic crystal structures.
Ilona A. Isupova, Denis A. Rychkov
doaj   +1 more source

Mechanozyme: An Artificial Enzyme With a Mechanophore Framework

Advanced Science, EarlyView.
Mechanical destabilization of a G‐quadruplex mechanophore in a DNAzyme markedly boosts its catalytic activity, demonstrating “mechanozymes” as artificial enzymes whose functions are modulated by mechanical stress exerted by ultrasonication. This mechanozyme principle is broadly applicable to control biomolecular activities.
Jiahao Ji, Pravin Pokhrel, Sajan Shakya, Bishal Pokhrel, Grinsun Sharma, Pratiksha Chaudhary, Hao Shen, Hanbin Mao   +7 more
wiley   +1 more source

Mechanochemical modification of the composition and structure of plant raw materials to control the combustion of alternative fuel

MATEC Web of Conferences, 2017
The possibilities of mechanochemistry in processing of renewable lignocellulose raw material into solid kinds of biofuel are demonstrated in this work. A review of lignocellulose raw materials promising for our country is presented.
Bychkov Aleksey, Podgorbunskikh Ekaterina, Skripkina Tatiana, Burdukov Anatoly, Lomovsky Oleg   +4 more
doaj   +1 more source

Copolymer of VDF/TFE as a Promising Polymer Additive for CsH₂PO₄-Based Composite Electrolytes

Membranes, 2023
The composite polymer electrolytes (1-x)CsH2PO4-xF-2M (x = 0–0.3) have been first synthesized and their electrotransport, structural, and mechanical properties were investigated in detail by impedance, FTIR spectroscopy, electron microscopy, and X-ray ...
Yuri Kungurtsev, Irina Bagryantseva, Valentina Ponomareva   +2 more
doaj   +1 more source

Properties of tug-of-war model for cargo transport by molecular motors

, 2009
Molecular motors are essential components for the biophysical functions of the cell. Our current quantitative understanding of how multiple motors move along a single track is not complete; even though models and theories for single motor chemomechanics ...
J. Howard, Melanie J. I. Müller, Yunxin Zhang   +2 more
core   +1 more source

Mechanochemistry with Metallosupramolecular Polymers [PDF]

Journal of the American Chemical Society, 2014
The transduction of mechanical force into useful chemical reactions is an emerging design approach to impart soft materials with new functions. Here, we report that mechanochemical transductions can be achieved in metallosupramolecular polymers. We show that both reversible and irreversible reactions are possible and useful to create mechanically ...
Balkenende, Diederik W. R., Coulibaly, Souleymane, Balog, Sandor, Simon, Yoan C., Fiore, Gina L., Weder, Christoph   +5 more
openaire   +3 more sources

High-Conductive CsH₂PO₄ Membranes with PVDF-Based Polymers Additives

Membranes, 2023
The study is devoted to one of the important problems of hydrogen energy—the comparative analysis and creation of novel highly conductive and durable medium-temperature proton membranes based on cesium dihydrogen phosphate and fluoropolymers.
Irina Bagryantseva, Valentina Ponomareva, Yuri Kungurtsev   +2 more
doaj   +1 more source

Achieving volatile potassium promoted ammonia synthesis via mechanochemistry

Nature Communications, 2023
Potassium oxide is used as a promotor in industrial ammonia synthesis, although metallic potassium is better in theory. Here, the authors demonstrate metallic potassium, an unstable metal that easily volatilizes at high temperature, can be used as a ...

semanticscholar   +1 more source

The Sonogashira Coupling on Palladium Milling Balls - A new Reaction Pathway in Mechanochemistry.

Angewandte Chemie, 2023
Utilizing direct mechanocatalytical conditions, the Sonogashira coupling was successfully performed on the surface of milling tools by using pure Pd and Pd coated steel balls.
Wilm Pickhardt, Eleonora Siegfried, Sven Fabig, Marisol Rappen, M. Etter, Max Wohlgemuth, Sven Graetz, L. Borchardt   +7 more
semanticscholar   +1 more source

Mechanochemistry: A Force of Synthesis [PDF]

ACS Central Science, 2016
The past decade has seen a reawakening of solid-state approaches to chemical synthesis, driven by the search for new, cleaner synthetic methodologies. Mechanochemistry, i.e., chemical transformations initiated or sustained by mechanical force, has been advancing particularly rapidly, from a laboratory curiosity to a widely applicable technique that not
Jean-Louis Do, Tomislav Friščić
openaire   +3 more sources