Results 71 to 80 of about 403,627 (266)

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  

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

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

Hydropower Potential Assessment Under Energy Transition: The Case of the Radunia River (Northern Poland)

Energies
Progressive climate change and growing energy demand are increasing the importance of renewable energy sources, including hydropower, particularly in regions with favourable hydrological conditions.
Agata Jelińska, Oleksandr Obodovskyi, Aleksandra Jezierska-Thöle, Kamil Bombicki   +3 more
doaj   +1 more source

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

FEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

Calculation of Ultimate Ductility Index Based on Hysteretic Energy Analysis of the Restoring Force Curve

Buildings
This study proposes an energy-based framework for evaluating the seismic ductility of reinforced concrete (RC) structures using restoring force hysteresis curves.
Huang-Bin Lin
doaj   +1 more source

The potential energy surface and vibrational spectroscopy of HCP molecule

四川大学学报. 自然科学版, 2023
In this paper, based on the Molpro2019, the one-dimensional potential energy curves and two-dimensional potential energy surfaces of HCP are constructed by using the single and double excitation coupled cluster method（CCSD）combined with the basis set cc ...
ZHANG Jia-Mei, XU Jian-Gang, ZHANG Yun-Guang, ZHANG Si-Yu, GUO Tian, CHEN Yan-Nan   +5 more
doaj  

Acute caffeine treatment protects the developing retina from ischemia‐induced cell death

FEBS Open Bio, EarlyView.
Caffeine reduces cell death in the developing retina under ischemia (OGD). This effect does not involve BDNF upregulation or antioxidant pathways (NRF2/VEGF). Neuroprotection occurs mainly through adenosine A2A receptor antagonism, decreasing glutamate release and excitotoxicity, highlighting caffeine's potential as an acute neuroprotective agent in ...
Amanda Alves Nascimento, Danniel Pereira‐Figueiredo, Gabriella Grossi de Lima Dias, Gabriel Ferreira dos Santos, Mariana Rodrigues Pereira, Rafael Brito, Karin C Calaza   +6 more
wiley   +1 more source

The three-center two-positron bond. [PDF]

Chem Sci, 2022
Charry J, Moncada F, Barborini M, Pedraza-González L, Varella MTDN, Tkatchenko A, Reyes A.   +6 more
europepmc   +1 more source

A yeast model of 5‐oxoproline accumulation reveals a general toleration to 5‐oxoproline

FEBS Open Bio, EarlyView.
Using a yeast model, we show that even high accumulation of 5‐oxoproline causes only mild cellular stress and does not trigger oxidative stress. Instead, cells adapt by activating efflux pumps and diverse protective pathways, suggesting that previously proposed harmful effects of 5‐oxoproline may arise from indirect metabolic imbalances rather than the
Pratiksha Dubey, Vaishnavi Sanjayan, Praveen Singh, Shantanu Sengupta, Anand Kumar Bachhawat   +4 more
wiley   +1 more source