Results 61 to 70 of about 7,655,786 (300)

Recent insights into the molecular mechanism of ubiquinol oxidation by cytochrome bc1

FEBS Open Bio, EarlyView.
The review reflects on the mechanism of the catalytic reaction in cytochrome bc1: the electron bifurcation that involves the separation of two electrons derived from the quinol oxidation to opposite sides of the enzyme across the membrane. This review summarizes the long‐standing effort to understand the mechanism of quinol oxidation catalyzed by ...
Anna Wójcik‐Augustyn, Artur Osyczka, Marcin Sarewicz   +2 more
wiley   +1 more source

Quantum chemical calculations of lupeol (C30H50O) isolated from the ethyl acetate leaf extracts of Justicia Secunda

Journal of Nigerian Society of Physical Sciences
The discovery of lupeol, a triterpenoid compound (C30H50O), in the ethyl acetate leaf extract of Justicia secunda (Blood root), has opened doors to extensive research and development opportunities in natural product-based pharmaceuticals.
B. Bako, E. E. Etim, J. P. Shinggu, S. S. Humphrey, L. J. Moses, M. E. Khan   +5 more
doaj   +1 more source

Selective elimination of quiescent cancer cells by dequalinium chloride via ROS‐mediated ferroptosis

FEBS Open Bio, EarlyView.
Dequalinium chloride (DQ) selectively eliminates quiescent cancer cells (QCCs) by amplifying mitochondrial ROS. QCCs exhibit elevated basal ROS and limited redox‐buffering capacity, making them vulnerable to further ROS increases. DQ‐induced ROS exceeds the tolerance threshold, triggering lipid peroxidation and ferroptosis, whereas proliferating cells ...
Kotaro Miyamoto, Shiori Sakai, Minori Endo, Terigele, Mizuho Niibori, Taiki Morita, Yu Goto, Arisa Yoshida, Tomohiro Tanaka, Ning Lin, Takahiro Kuchimaru, Hiroyuki Nakamura, Masahiro Inoue, Shinae Kizaka‐Kondoh, Tetsuya Kadonosono   +14 more
wiley   +1 more source

Analysis of Enzymatic Reactions by Quantum Chemical Calculations

YAKUGAKU ZASSHI, 2012
Density functional theory (DFT) is now extensively used as a research tool for the investigation of structure and reactivity of biological systems; however, its high computational demands still restrict the applicability of DFT to systems of a few tens up to one hundred atoms.
openaire   +3 more sources

Quantum scattering calculations on chemical reactions

, 2003
This review discusses recent quantum scattering calculations on bimolecular chemical reactions in the gas phase. This theory provides detailed and accurate predictions on the dynamics and kinetics of reactions containing three atoms.
Althorpe, SC, Clary, David
core   +1 more source

Using fluorescence fluctuation spectroscopy to quantify molecular dynamics within cells

FEBS Open Bio, EarlyView.
Microscopy techniques like fluorescence correlation spectroscopy (FCS) and number and brightness analysis (N&B) allow to quantify concentrations, diffusion rates, and oligomerization of fluorescently labeled molecules in the living cell. In this protocol the principles of how to set up these types of experiments are described including calibration ...
Mark A. Hink
wiley   +1 more source

Elucidating Drug-Enzyme Interactions and Their Structural Basis for Improving the Affinity and Potency of Isoniazid and Its Derivatives Based on Computer Modeling Approaches

Molecules, 2010
The enoyl-ACP reductase enzyme (InhA) from M. tuberculosis is recognized as the primary target of isoniazid (INH), a first-line antibiotic for tuberculosis treatment.
Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, Peter Wolschann, Pornpan Pungpo   +4 more
doaj   +1 more source

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

DOXEPIN AS CORROSION INHIBITOR FOR COPPER IN 3.5 wt. % NaCl SOLUTION

Studia Universitatis Babes-Bolyai Chemia, 2020
The effect of 3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropane-1-amine (doxepin) on the corrosion behaviour of copper in 3.5 wt.% NaCl solution was investigated by electrochemical techniques, SEM-EDX and quantum chemical calculations ...
Simona VARVARA, Roxana BOSTAN, Maria POPA, Luiza GĂINĂ, Florin POPA   +4 more
doaj   +1 more source

Microstructure‑Dependent Phase Transformations Under High‑Pressure Laser Heating in Additively Manufactured AlCrFe2Ni2

Advanced Engineering Materials, EarlyView.
Additively manufactured AlCrFe2Ni2 with contrasting BCC/B2‐dominant and lamellar FCC + BCC/B2 microstructures exhibits the same pressure‐induced BCC/B2 → HCP transformation. Under laser heating at high pressure, HCP is destabilized, and a cubic BCC/B2 + FCC assemblage is recovered, while the lower‐scan‐speed microstructure transforms at a lower ...
Raimundas Sereika, Hunter Kantelis, Yogesh K. Vohra, Shengbiao Zhang, Wuxian Yang, Wen Chen   +5 more
wiley   +1 more source