Results 61 to 70 of about 1,045,789 (293)

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

FEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei, Fredrik Orädd, Konstantinos Magkakis, Magnus Andersson   +3 more
wiley   +1 more source

Computação em química teórica: informações técnicas Computation in theoretical chemistry: technical informations

Química Nova, 2001
The purpose of this work is to demonstrate the usefulness of low cost high performance computers. It is presented technics and software packages used by computational chemists.
Nelson Henrique Morgon
doaj   +1 more source

Deuterated hydrogen chemistry: Partition functions, Equilibrium constants and Transition intensities for the H3+ system

, 2004
H3+ and the deuterated isotopomers are thought to play an important role in interstellar chemistry. The partition functions of H3+, D2H+ and D3+ are calculated to a temperature of 800 K by explicitly summing the ab initio determined rotation-vibration ...
Adams, Amano, Bacmann, Carney, Caselli, Ceccarelli, Cencek, Dalgarno, Foster, Fárník, Gerlich, Giles, Hayman, Herbst, Huber, Jayesh Ramanlal, Jonathan Tennyson, Kelly, Kozin, Lemoine, Loinard, Neale, Oka, Oka, Polyansky, Polyansky, Ramanlal, Roberts, Röhse, Sauval, Sidhu, Smith, Stark, Tennyson, Vastel, Watson   +35 more
core   +1 more source

Preface to the special issue on "recent developments and new directions in thin-film flow" [PDF]

, 2012
Thin films of fluids are of central importance in numerous industrial, biomedical, geophysical and domestic applications, and display a rich and varied range of behaviours, including pattern formation, dewetting, rupture and finite-time blow up.
Duffy, Brian, Wilson, Stephen
core   +1 more source

Single‐molecule DNA flow‐stretch assays for high‐throughput DNA–protein interaction studies

FEBS Open Bio, EarlyView.
We describe an optimised single‐molecule DNA flow‐stretch assay that visualises DNA–protein interactions in real time. Linear DNA fragments are tethered to a surface and stretched by buffer flow for fluorescence imaging. Using λ and φX174 DNA, this protocol enhances reproducibility and accessibility, providing a versatile approach for studying diverse ...
Ayush Kumar Ganguli, Mohammad Nour Alsamsam, Ugnė Bagdonaitė, Van Truc Vu, Chun‐Jen Huang, Polina Kuzhir, Mindaugas Zaremba, Aurimas Kopūstas, Marijonas Tutkus   +8 more
wiley   +1 more source

The Theoretical Description for Chlorantraniliprole Electrochemical Determination, Assisted by Squaraine Dye – Nano-CuS Composite

Orbital: The Electronic Journal of Chemistry, 2021
The theoretical description for the chlorantraniliprole electrochemical determination, assisted by the hybrid composite of squaraine dye with CuS nanoparticles has been described.
Volodymyr V. Tkach, Marta V. Kushnir, Silvio Cesar de Oliveira, Hanifa Zh. Salomova, Dilafruz B. Razhabova, Dilfuza M. Musayeva, Laziz N. Niyazov, Yana G. Ivanushko, Mariia P. Mytchenok, Oleksandra V. Ahafonova, Bohdana Y. Banul, Tetiana P. Honchar, Petro I. Yagodynets´, Zholt O. Kormosh, Lucinda Vaz dos Reis, Konon L. Bagrii, Lyubov T. Strutynska, Inna P. Danyliuk, Nataliia M. Gordiyenko, Yulia V. Britsyna, Maryna V. Parkhomenko, Mariia M. Levon   +21 more
doaj  

Circumstellar Chemistry : Theoretical Studies [PDF]

Symposium - International Astronomical Union, 1987
The different chemical processes responsible for the observed molecular abundances in massive circumstellar shells are examined: freezing-out of chemical equilibrium, radical and ion reactions, grain and shock processes, photochemistry, etc…
openaire   +1 more source

Chameleon sequences reveal structural effects in proteins representing micelle‐like distribution of hydrophobicity

FEBS Open Bio, EarlyView.
Amino acids sequence of two different proteins with the same sequence (chameleon sequence—black boxes) represent in 3D structure of the proteins different secondary structures: HHHH—helical and BBB—Beta‐structural. The chains folded in water environment adopt different III‐order structures in which the chameleon fragments appear to adopt similar status
Irena Roterman, Katarzyna Stapor, Leszek Konieczny, Krzysztof Gądek, Piotr Nowakowski   +4 more
wiley   +1 more source

Structural and Electronic Stabilization Tuning of Al₆N₆ Clusters via Hydrogenation: A Theory Study of Al₆N₆H₈

Molecules
Investigating aluminum nitride (AlN) clusters is essential for understanding the properties of bulk AlN materials. The incorporation of hydrogen into AlN clusters represents an effective strategy for structural modification and for tuning their ...
Peng-Fei Li, Yang Yang, Shu-Juan Gao
doaj   +1 more source

Contradictions in theoretical chemistry [PDF]

Nature, 1981
Chemistry, Quantum Mechanics and Reductionism. By Hans Primas. Pp.451. ISBN 3-540-10696-0. (Springer-Verlag: 1981.) DM 68, $32.40.
openaire   +2 more sources