Dynamics and kinetics exploration of the oxygen reduction reaction at the Fe-N/C-water interface accelerated by a machine learning force field.

Understanding the oxygen reduction reaction (ORR) mechanism and accurately characterizing the reaction interface are essential for improving fuel cell efficiency. We developed an active learning framework combining machine learning force fields and enhanced sampling to explore the dynamics and kinetics of the ORR on Fe-N/C using a fully explicit solvent model. Different possible reaction paths have been explored and the O adsorption process is confirmed as the rate-determining step of the ORR at the Fe-N/C-water interface, which needs to overcome a free energy barrier of 0.

Drug-induced thrombocytopenia severity and toxicity（ditpst）:binary classification of drugs by human thrombocytopenia toxicity.

Background: Drug-induced thrombocytopenia (DITP) often occurs in patients during clinical treatment. However, clinicians usually fail to distinguish which drugs can be plausible culprits accurately. We aimed to develop a large comprehensive drug benchmark database with DITP toxicity using the recommended method by FDA.

Pre-treatment subjective sleep quality as a predictive biomarker of tDCS effects in preclinical Alzheimer's disease patients: Secondary analysis of a randomised clinical trial.

Background: Despite transcranial direct current stimulation (tDCS) has demonstrated encouraging potential for modulating the circadian rhythm, little is known about how well and sustainably tDCS might improve the subjective sleep quality in older adults. This study sought to determine how tDCS affected sleep quality and cognition, as well as how well pre-treatment sleep quality predicted tDCS effects on domain-specific cognitive functions in patients with mild neurocognitive disorder due to Alzheimer's disease (NCD-AD).

Methods: This clinical trial aimed to compare the effectiveness of tDCS and cognitive training in mild NCD-AD patients (n =  201).

Temozolomide monotherapy versus combination therapies in melanoma: a meta-analysis of efficacy and safety.

Temozolomide is used in melanoma therapy, but the comparative efficacy and safety of monotherapy vs combination therapies are unclear. This meta-analysis evaluates temozolomide monotherapy vs combination therapies in melanoma patients. PubMed, Embase, and Cochrane Library were searched up to August 2024 for studies comparing temozolomide monotherapy with combination therapies in melanoma.

Glucose Metabolic Abnormalities and Their Interaction With Defective Phosphate Homeostasis in Tumor-induced Osteomalacia.

Context: Phosphate homeostasis was compromised in tumor-induced osteomalacia (TIO) due to increased fibroblast growth factor 23 (FGF23) secretion. Nevertheless, the glucose metabolic profile in TIO patients has not been investigated.

Objectives: This work aimed to clarify the glucose metabolic profiles in TIO patients and explore their interaction with impaired phosphate homeostasis.