Results 81 to 90 of about 15,010,208 (306)

Optimizing photoactivation of PA‐mCherry for optical pooled CRISPR screens

FEBS Open Bio, EarlyView.
Photoactivatable PA‐mCherry finds widespread use to optically tag individual cells. However, confocal 405 nm UV laser‐scanning (normal scan) is much less efficient than widefield UV illumination, limiting the use of PA‐mCherry on confocal instruments. We remedy this limitation by reporting that rapid and repeated confocal scanning with a low‐intensity,
Sravasti Mukherjee, Giulia Zanetti, Bram van den Broek, Kees Jalink   +3 more
wiley   +1 more source

COPPER CHLORIDE: SPIN-ORBIT CI POTENTIAL CURVES

, 1991
Author Institution: Department of Chemistry, The Ohio State UniversityAb initio potential energy curves for the ground and low-lying excited states of CuCl have been calculated using relativistic effective core potentials in a spin-orbit configuration ...
Wallace, Nora M., Pitzer, Russell M.
core   +1 more source

A pathway to accurate potential energy curves on NISQ devices [PDF]

, 2022
We present a practical workflow to compute the potential energy curve of the hydrogen molecule on near intermediate-scale quantum (NISQ) devices. The proposed approach uses an extrapolation scheme to deliver, with only few qubits, full configuration ...
Benoit, David M., Ward, Ryan, Benfenati, Francesco   +2 more
core   +1 more source

Réseaux de distribution de l’énergie et sobriété énergétique des territoires, les apports d’une approche thermodynamique et métabolique des systèmes territoriaux

VertigO, 2017
In the context of energy transition and current environmental crisis, the interest of local and systemic approaches to energy issues seems admitted today.
Paul-Marie Guinchard, Marie-Hélène de Sède-Marceau, Massimiliano Capezzali   +2 more
doaj   +1 more source

Aquaporin‐3 and aquaporin‐5 impact the development of pancreatic ductal adenocarcinoma spheroids

FEBS Open Bio, EarlyView.
Schematic representation of the role of aquaporin‐3 (AQP3) and aquaporin‐5 (AQP5) in pancreatic ductal adenocarcinoma (PDAC). Both proteins are upregulated in PDAC and are associated with tumor progression and metastatic potential. Silencing AQP3 or AQP5 in PDAC spheroids results in decreased diameter, area, and overall growth, underscoring their key ...
Catarina Pimpão, Diogo M. Engrácia, Graça Soveral, Filipa Mendes   +3 more
wiley   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source

Ab Initio Computational Investigations of Low-Lying Electronic States of Yttrium Lithide and Scandium Lithide

Computation
Ab initio studies using CASSCF/MRCI calculations have been performed to investigate the spectroscopic properties of YLi and ScLi molecules. Our calculations have computed 25 singlet and triplet states for YLi and 37 electronic states for ScLi. The lowest
Jean Tabet, Nancy Zgheib, Sylvie Magnier, Fadia Taher   +3 more
doaj   +1 more source

Guiding AlphaFold to predict how Munc13‐1 opens Syntaxin‐1

FEBS Open Bio, EarlyView.
The syntaxin‐1 Habc‐domain (orange), linker (pink) and SNARE motif (yellow) form a closed conformation that binds to Munc18‐1 (violet) and is opened by the Munc13‐1 MUN domain (cyan) to form the SNARE complex that triggers neurotransmitter release.
Madhurima Chattopadhyay, Junjie Xu, Josep Rizo   +2 more
wiley   +1 more source

Molecular character and potential energy function of CO under external electric field

四川大学学报. 自然科学版, 2017
The DFT(B3LYP) method with Aug-cc-pvtz basis set is used to investigate the equilibrium structures, atomic charge distributions, dipole moments, harmonic frequencies and total energies of CO molecule under different external electric fields.
WU Yong-Gang, LUO Ya, LINGHU Rong-Feng
doaj  

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source