Results 201 to 210 of about 3,958,335 (294)

Nuclear Gradients from Auxiliary-Field Quantum Monte Carlo and Their Applications in ML-Driven Geometry Optimization and Transition State Search. [PDF]

J Chem Theory Comput
Kurian JS, Mahajan A, Sharma S.
europepmc   +1 more source

Dose‐dependent hepatotoxicity of hydrogen peroxide in HepG2 cells and its modulation by CYP450 induction

FEBS Open Bio, EarlyView.
NMR metabolomics revealed concentration‐dependent metabolic perturbations in HepG2 cells exposed to H2O2. Rifampicin pretreatment enhanced metabolic competence, attenuated toxin‐induced alterations and produced metabolite profiles more consistent with human liver physiology, supporting the use of CYP450‐induced HepG2 models for improved in vitro ...
Maren Jinks, Garth L. Maker, Emily C. Davies, Berin A. Boughton, Samantha Lodge   +4 more
wiley   +1 more source

Reduction of Np(v) to Np(iv) using oxalic acid: rethinking decades of nuclear processing conventions. [PDF]

RSC Adv
Gilson SE, Parker CJ, Lawson KM.
europepmc   +1 more source

ATZ‐1 promotes DNA replication efficiency to maintain normal meiotic function

FEBS Open Bio, EarlyView.
Absence of ATZ‐1 interferes with meiotic DNA replication and cell cycle function via CHK‐1. This causes downstream defects associated with DNA damage and genomic integrity. Taken together, this study suggests that ATZ‐1 influences DNA replication efficiency and cell cycle function to maintain normal meiotic function.
Taylin E. Gourley, Luke W. Molesworth, Nethma H. Waduge, Fahimeh Eskandari, Peter R. Boag, Gregory M. Davis   +5 more
wiley   +1 more source

The Newton-X platform for mixed quantum-classical dynamics.

Phys Chem Chem Phys
Barbatti M, Mattos RS, Demoulin B, de O Bispo M, Bondanza M, Brady M, Crespo-Otero R, de Miranda EGF, Dral PO, Granucci G, Hehn A, Hernández FJ, Iuzzolino G, Kar R, Kossoski F, Lischka H, Mennucci B, Mukherjee S, Mukhopadhyay A, Perrella F, Persico M, Pinheiro M, Pittner J, Plasser F, Rega N, Sangiogo-Gil E, Thorat T, Toldo JM, Tomaz AA, Varella MTDN, Vasquez L.   +30 more
europepmc   +1 more source

Nuclear-Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime. [PDF]

J Chem Theory Comput
Paenurk E, Yoo JM, Hammes-Schiffer S.
europepmc   +1 more source

KDAC6 alters cell morphology and motility through positive and negative modulation of F‐actin distribution

FEBS Open Bio, EarlyView.
KDAC6 has been associated with cell motility and actin structures, but specific domain contributions are not established. The two catalytic domains have differential effects on motility and F‐actin regulation, affecting cortical F‐actin density, motility, stress fibers, and cell spreading.
Taylor V. Joseph, Andrea B. Pham, Kiara E. Bornes, Razan H. Hammad, Chelsea A. Rousseve‐Ross, Thomas M. Huckaba, Terry J. Watt, Tasha B. Toro   +7 more
wiley   +1 more source

Designing novel linagliptin analogs through combined generative artificial intelligence, molecular docking, molecular dynamics simulation, and binding energy estimation for targeting fibroblast activation protein. [PDF]

Front Chem
Shi M, Yang Z, Yang Y, Chen J, He C, Li X.   +5 more
europepmc   +1 more source

Accurate and noninvasive prostate cancer detection using plasma‐derived extracellular vesicle RNA

FEBS Open Bio, EarlyView.
Plasma extracellular vesicles were captured with WGA‐conjugated magnetic beads and profiled for RNA biomarkers. A three‐RNA panel (NM_024955, NR_047469, and NR_002564) distinguished prostate cancer from healthy controls and benign prostatic hyperplasia, supporting a simple, noninvasive approach to improve prostate cancer detection.
Hanping Wei, Haoran Wu, Wei Feng
wiley   +1 more source