Desmodium caudatum (Thunb.) DC. Extract Attenuates Hyperuricemia-Induced Renal Fibrosis via Modulating TGF-β1 Pathway and Uric Acid Transporters: Evidence from In Vitro and In Vivo Studies.

Ethnopharmacological Relevance: Desmodium caudatum (Thunb.) DC., a traditional Chinese medicinal herb, has been used to treat conditions such as rheumatic back pain, diarrhea, jaundice-related hepatitis, and abscesses; it also serves as an anthelmintic.

Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals.

We present an efficient implementation of the direct random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With recommended loose, normal, and tight parameter settings, DLPNO-RPA achieves approximately 99.7-99.

Chemical speciation and rice uptake of soil molybdenum-Investigation with X-ray absorption spectroscopy and isotope fractionation.

Molybdenum (Mo) contamination of farmland soils poses health risks due to Mo accumulation in crops like rice. However, the mechanisms regulating soil availability and plant uptake of Mo remain poorly understood. This study investigated Mo uptake by rice plants, focusing on Mo speciation and isotope fractionation in soil and rice plants.

Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals?

Attaining kJ/mol accuracy in cohesive energy for molecular crystals is a persistent challenge in computational materials science. In this study, we evaluate second-order Møller-Plesset perturbation theory (MP2) and its spin-component scaled models for calculating cohesive energies for 23 molecular crystals (X23 data set). Using periodic boundary conditions and Brillouin zone sampling, we converge results to the thermodynamic and complete basis set limits, achieving an accuracy of about 2 kJ/mol (0.

Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems.

Multipole moments are the first-order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory prediction of molecular multipole moments thus characterizes errors in modeling the electron density itself, as well as the performance in describing molecules interacting with external electric fields. However, only the lowest non-zero moment is translationally invariant, making the higher-order moments origin-dependent.

High-precision iron isotope analysis of whole blood, erythrocytes, and serum in adults.

Background: Iron isotopic composition serves as a biological indicator of Fe metabolism in humans. In the process of Fe metabolism, essential carriers of Fe circulate in the blood and pass through storage organs and intestinal absorptive tissues. This study aimed to establish an analytical method for high-precision Fe isotopic measurement, investigate Fe concentration and isotopic composition in different parts of whole blood, and explore the potential of Fe isotopic composition as an indicator for Fe status within individuals.