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Precise Carboxylic Acid-Functionalized Polyesters in Reprocessable Vitrimers

Immunological profile of lactate metabolism-related genes in Psoriasis a comprehensive analysis based on bulk and single-cell RNA sequencing data

A Dynamic Covalent Organic Framework with Entangled 2D Layers

New nanomanufacturing strategy through bioinspired design, for promising treatment of Parkinson’s disease

Vancomycin–Teixobactin Conjugates

Development and validation of a machine learning approach for screening new leprosy cases based on the leprosy suspicion questionnaire

Harnessing Mn²⁺ Ions and Antitumor Peptides: A Robust Hydrogel for Enhanced Tumor Immunotherapy

Joint event extraction model based on dynamic attention matching and graph attention networks

Robust Heteronuclear Correlations for Sub-milligram Protein in Ultrafast Magic-Angle Spinning Solid-State NMR

A labeled medical records corpus for the timely detection of rare diseases using machine learning approaches

Atroposelective Diverse Remote <i>meta</i>-C–H Functionalization via Kinetic Resolution

Interplay of student characteristics multidimensional engagement and influencing factors in online computer science education

Correction to “Air and Thermally Stable Cyclic (Alkyl)(amino)carbene Ruthenium Complexes for Efficient Ring Expansion Metathesis Polymerization”

Insect resistance responses of ten Aster varieties to damage by Tephritis angustipennis in the three rivers source region of China

Rare disease gene association discovery in the 100,000 Genomes Project

Abstract Up to 80% of rare disease patients remain undiagnosed after genomic sequencing 1 , with many probably involving pathogenic variants in yet to be discovered disease–gene associations. To search for such associations, we developed a rare variant gene burden analytical framework for Mendelian diseases, and applied it to protein-coding variants from whole-genome sequencing of 34,851 cases and their family members recruited to the 100,000 Genomes Project 2 . A total of 141 new associations were identified, including five for which independent disease–gene evidence was recently published. Following in silico triaging and clinical expert review, 69 associations were prioritized, of which 30 could be linked to existing experimental evidence. The five associations with strongest overall genetic and experimental evidence were monogenic diabetes with the known β cell regulator 3,4 UNC13A , schizophrenia with GPR17 , epilepsy with RBFOX3 , Charcot–Marie–Tooth disease with ARPC3 and anterior segment ocular abnormalities with POMK . Further confirmation of these and other associations could lead to numerous diagnoses, highlighting the clinical impact of large-scale statistical approaches to rare disease–gene association discovery.

Breaking the Scaling Relationship for Oxygen Reduction Reaction Using Molecular Cobalt Complexes

Personalized contrast agent dosing to prevent contrast induced nephropathy in high risk populations in Guangdong, China

Asymmetric Total synthesis of Asperones A and B through Organocatalyzed Quinone [5 + 2] Cycloaddition

DFT insights into bandgap engineering of lead-free LiMCl3 (M = Mg, Be) halide perovskites for optoelectronic device applications

Abstract In this theoretical analysis, the pressure-dependent structural, electronic, mechanical, and optoelectronic properties of LiMCl3 (M = Mg, Be) have been calculated using density functional theory within the framework of the GGA PBE and hybrid HSE06 functional. At ambient pressure, the calculated lattice parameters of LiMCl3 match well with previously reported values, validating the accuracy of this study. Geometry optimization reveals that under increasing hydrostatic pressure, both the lattice parameters and the unit cell volume decrease. Additionally, the band structure exhibits notable phenomena over the pressure range from 0 to 100 GPa. For the LiMgCl3 compound, the bandgap decreases from an indirect bandgap of 4 eV to a direct bandgap of 2.563 eV. Similarly, LiBeCl3 shows an indirect bandgap that decreases from 2.388 eV to 0.096 eV over the pressure range from 0 to 100 GPa. The optical properties of LiMCl3, including absorption coefficient, reflectivity, refractive index, dielectric function, and conductivity, have been calculated throughout the study under varying pressure conditions. The analysis reveals that the optical properties of LiMCl3 (M = Be, Mg) enhance with increasing hydrostatic pressure, thereby rendering these materials more suitable for optoelectronic applications. To assess the stability of these compounds, elastic constants were analyzed, indicating that LiMCl3 exhibits ductile and anisotropic characteristics under different pressure conditions. These investigated materials are suitable for use in optoelectronic devices due to their favorable physical properties under different pressure circumstances.

Ideal Bifunctional Catalysis for Propane Dehydrogenation over Pt-Promoted Gallia-Alumina and Minimized Use of Precious Elements