Results 81 to 90 of about 110,863 (301)

Organic ion association in aqueous phase and ab initio -based force fields: The case of carboxylate/ammonium salts

, 2017
International audienceWe performed molecular dynamics simulations of carboxylate/methylated ammonium ion pairs solvated in bulk water and of carboxylate/methylated ammonium salt solutions at ambient conditions using an ab initio-based polarizable force ...
Masella, Michel, Florent Réal, Céline Houriez, Vallet, Valérie, Michel Masella, Houriez, Celine, Réal, Florent, Meot-Ner (mautner), Michael, Valérie Vallet, Michael Meot-Ner (Mautner)   +9 more
core   +1 more source

Empirical correlation of electrical conductivity with CO2 absorption and desorption capacity in 10–25 wt% aqueous MDEA solutions during cyclic operation

Journal of CO2 Utilization
This study investigates a continuous CO2 absorption-desorption cycle using 10–25 wt% aqueous methyl-diethanolamine (MDEA) solutions as tertiary-amine solvents for post-combustion CO2 capture. Absorption is conducted at 25 ℃ and thermal desorption at 80 ℃.
Sang-Jun Han, Jung-Ho Wee, Imtiaz Afzal Khan   +2 more
doaj   +1 more source

MicroRNA Dysregulation in Prostate Cancer

Pharmacogenomics and Personalized Medicine, 2022
Vlad Horia Schitcu,1– 3,* Lajos Raduly,1,* Andreea Nutu,1,* Oana Zanoaga,1 Cristina Ciocan,1 Vlad Cristian Munteanu,2,3 Roxana Cojocneanu,1 Bogdan Petrut,2,3 Ioan Coman,2 Cornelia Braicu,1 Ioana Berindan-Neagoe1 1Research Center for ...
Schitcu VH, Raduly L, Nutu A, Zanoaga O, Ciocan C, Munteanu VC, Cojocneanu R, Petrut B, Coman I, Braicu C, Berindan-Neagoe I   +10 more
doaj  

Interpreting the effects of DNA polymerase variants at the structural level

Molecular Oncology, EarlyView.
Using MAVISp and molecular dynamics simulations, we analyzed over 60 000 missense variants in POLE and POLD1 from ClinVar, COSMIC, cBioPortal, and saturation mutagenesis. Identified mechanistic indicators, including stability, binding, and long‐range, enable structural interpretation, providing ACMG‐like evidence for possible reclassification of VUS ...
Matteo Arnaudi, Karolina Krzesińska, Ludovica Beltrame, Pablo Sánchez‐Izquierdo Besora, Matteo Tiberti, Mef Nilbert, Anna Rohlin, Elena Papaleo   +7 more
wiley   +1 more source

Genetic analyses and prediction for lodging‑related traits in a diverse Iranian hexaploid wheat collection

Scientific Reports
Lodging is one of the most important limiting environmental factors for achieving the maximum yield and quality of grains in cereals, including wheat. However, little is known about the genetic foundation underlying lodging resistance (LR) in wheat.
Ehsan Rabieyan, Reza Darvishzadeh, Hadi Alipour   +2 more
doaj   +1 more source

Finding novel vulnerabilities of hypomorphic BRCA1 alleles

Molecular Oncology, EarlyView.
Synthetic lethality screens performed to identify novel vulnerabilities often model complete gene loss, thereby overlooking patient‐derived hypomorphic mutations. In this study, we have performed genome‐wide CRISPR screens on BRCA1 hypomorphic mutations, showing BRCA1I26A behaves like wild‐type, while BRCA1R1699Q mimics deficiency. Furthermore, we have
Anne Schreuder, Klaas de Lint, Hồ Mỹ Phúc Võ, Mariana M. Góis, Rosalie A. Kampen, Marta San Martin Alonso, Ilse Nootenboom, Veronica Garzero, Tiemen J. Wendel, Rob M. F. Wolthuis, Sylvie M. Noordermeer   +10 more
wiley   +1 more source

Ion-Specific Effects in Carboxylate Binding Sites

, 2016
Specific ion binding by carboxylates (−COO–) is a broadly important topic because −COO– is one of the most common functional groups coordinated to metal ions in metalloproteins and synthetic polymers.
Susan L. B. Rempe (3383174), Mark J. Stevens (138084)   +1 more
core   +1 more source

Erythropoietin modulates hepatic inflammation, glucose homeostasis, and soluble epoxide hydrolase and epoxides in high‐fat diet‐induced obese mice

FEBS Open Bio, EarlyView.
Erythropoietin administration suppresses hepatic soluble epoxide hydrolase (sEH) expression, leading to increased CYP‐derived epoxides. This is associated with a shift in hepatic macrophage polarization characterized by reduced M1 markers and increased M2 markers, along with reduced hepatic inflammation, suppressed hepatic lipogenesis, and attenuated ...
Takeshi Goda, Satoru Sugimoto, Chiharu Cho, Madoka Konishi, Nozomi Inoue, Satoshi Miyagaki, Yasuhiro Kawabe, Takuro Okamura, Masahide Hamaguchi, Hisakazu Nakajima, Michiaki Fukui, Masakazu Shinohara, Tomoko Iehara   +12 more
wiley   +1 more source

Ion-ion-solvent interactions in solution. Part 5. - Influence of added halide, change in temperature and solvent deuteration on ion association in aqueous solutions of nitrate salts

, 1982
Band-component analysis of the band due to symmetrical stretching of the nitrate ion in aqueous solutions has been used to study association equilibria.
James, David W., Frost, Ray L.
core   +1 more source

Beyond the Diffusion Limit: Pre‐Associated Ion‐Pair Photoinitiating Systems for Radical Photopolymerization

Chemistry – A European Journal
AbstractThe pre‐association mechanism of an ion‐pair Type II photoinitiating system (PIS) acting in the visible range was studied. The choice of a dye as photoinitiator (crystal violet) with an excited state lifetime of 200 ps ensured the absence of dynamical quenching by the borate salts used as coinitiator.
Léo Niederst, Xavier Allonas, Christian Ley, Thomas Rölle, Mira Holzheimer, Lena Nault   +5 more
openaire   +2 more sources