Conformalized Graph Learning for Molecular ADMET Property Prediction and Reliable Uncertainty Quantification.

Drug discovery and development is a complex and costly process, with a substantial portion of the expense dedicated to characterizing the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of new drug candidates. While the advent of deep learning and molecular graph neural networks (GNNs) has significantly enhanced in silico ADMET prediction capabilities, reliably quantifying prediction uncertainty remains a critical challenge. The performance of GNNs is influenced by both the volume and the quality of the data.

The compassionate care framework plus quality control group improves the quality of postoperative nursing management for patients in anorectal surgery: An observational study.

Objective: This study aimed to investigate the effectiveness of the joint application of the compassionate care framework (CCF) and a quality control (QC) team in improving the quality of postoperative nursing management for patients in anorectal surgery.

Methods: Patients who underwent anorectal surgery at the China-Japan Friendship Hospital between May 2022 and December 2022 were selected by convenience sampling. A digital random generator was used for random grouping.

G protein coupled receptor in apoptosis and apoptotic cell clearance.

Apoptosis is a genetically programmed form of cell death that is substantially conserved across the evolutionary tree. Apoptotic cell elimination includes recognition, phagocytosis, and degradation. Failure to clear apoptotic cells can ultimately cause a series of human diseases, such as systemic lupus erythematosus, Alzheimer's disease, atherosclerosis, and cancer.

Physicochemical properties and in vitro digestion of quinoa starch induced by combination of ultrasound and konjac glucomannan.

This study investigated the effects of konjac glucomannan (KGM) and ultrasound on the solubility, pasting properties, rheological behavior, thermal properties, structural characteristics, and digestibility of quinoa starch. The results demonstrated significant improvements in starch properties with both ultrasound and KGM treatment, with the most pronounced effects observed in the combined ultrasound and KGM treatment. This combined treatment led to enhanced energy storage modulus and loss modulus, indicating improved rheological properties.

The Effects of -citrulline Supplementation on the Athletic Performance, Physiological and Biochemical Parameters, Antioxidant Capacity, and Blood Amino Acid and Polyamine Levels in Speed-Racing Horses.

The objective of this study was to evaluate the effects of pre-exercise -citrulline supplementation on the athletic performance of speed-racing horses during a high-intensity exercise. On the 20th day of the experiment, blood samples were collected at 3 h and 6 h post-supplementation to measure the amino acid and polyamine concentrations. On the 38th day of the experiment, the horses participated in a 2000 m speed race, and three distinct blood samples were gathered for assessing blood gases, hematological parameters, the plasma biochemistry, antioxidant parameters, and NO concentrations.

Contralateral facial artery myomucosal island flap for the reconstruction of T-T oncologic oral defects.

Objectives: To avoid the oncologic risks of ipsilateral regional flaps, this study aimed to explore the feasibility and clinical outcomes of the contralateral-based facial artery myomucosal island flap (C-FAMMIF) for oral T-T oncologic defects reconstruction.

Methods: A study of flap anatomy was conducted on 7 cadaver samples and a cohort of 24 patients who received C-FAMMIF reconstruction after malignancy resection were retrospectively researched. A balanced anterolateral thigh flap (ALT) group of 47 patients was extracted as control group using propensity score matching method.

Quality analysis of dough and steamed bread under various freezing conditions.

Freezing is a crucial step in the process of frozen foods. In this study, the effects of different freezing methods, including liquid nitrogen immersion freezing (LF), quick-freezing machine freezing (QF), packaging immersion freezing (PF), and ultralow temperature refrigerator freezing (UF), and freezing time (0, 15, 30, and 60 days) on the textural properties, dynamic rheological properties, water distribution, and structure of dough and the quality of end steamed bread were evaluated. Freezing resulted in a decline in the physicochemical properties of dough.

Allelopathic Effects of Corn Straw and Its Water Extracts on Four Weed Species and Foxtail Millet.

Straw covering is a protective tillage measure in agricultural production, but there is relatively little research on the allelopathic effects of corn straw on weeds and foxtail millet. This experiment studied the allelopathic effects of corn straw on four weeds (, , and ) in foxtail millet fields, and also measured the growth indicators of foxtail millet. The study consisted of Petri dish and field experiments.

Innervation of nociceptor neurons in the spleen promotes germinal center responses and humoral immunity.

Peripheral sensory neurons widely innervate various tissues to continuously monitor and respond to environmental stimuli. Whether peripheral sensory neurons innervate the spleen and modulate splenic immune response remains poorly defined. Here, we demonstrate that nociceptive sensory nerve fibers extensively innervate the spleen along blood vessels and reach B cell zones.

Susceptibility and cecal microbiota alteration to Eimeria-infection in Yellow-feathered broilers, Arbor Acres broilers and Lohmann pink layers.

Coccidiosis, which is caused by Eimeria species, results in huge economic losses to the poultry industry. Arbor Acres (AA) broilers and yellow-feathered broilers are the dominant broilers in northern and southern China, respectively. However, their susceptibility to coccidiosis has not been fully compared.

M1-type microglia-derived exosomes contribute to blood-brain barrier damage.

Background: As a key substance for intercellular communication, exosomes could be a potential strategy for stroke treatment. Activated microglia disrupt the integrity of blood-brain barrier (BBB) to facilitate the stroke process. Hence, this study was designed to investigate the effect of microglia-derived exosomes on BBB cell model injury and to explore the underlying molecular mechanisms.

Effects of different thawing methods on physical and physicochemical properties of frozen dough and quality of corresponding steamed bread.

The thawing method is critical for the final quality of products based on the frozen dough. The effects of ultrasound thawing, proofer thawing, refrigerator thawing, water bath thawing, ambient thawing, and microwave thawing on the rheology, texture, water distribution, fermentation characteristics, and microstructure of frozen dough and the properties of steamed bread were investigated. The results indicated that the ultrasound thawing dough had better physicochemical properties than other doughs.

Application of deep learning image reconstruction-high algorithm in one-stop coronary and carotid-cerebrovascular CT angiography with low radiation and contrast doses.

Background: For patients with suspected simultaneous coronary and cerebrovascular atherosclerosis, conventional single-site computed tomography angiography (CTA) for both sites can result in nonnegligible radiation and contrast agent dose. The purpose of this study was to validate the feasibility of one-stop coronary and carotid-cerebrovascular CTA (C&CC-CTA) with a "double-low" (low radiation and contrast) dose protocol reconstructed with deep learning image reconstruction with high setting (DLIR-H) algorithm.

Methods: From February 2018 to January 2019, 60 patients referred to C&CC-CTA simultaneously in West China Hospital were recruited in this prospective cohort study.

Insight into the Feasibility of Fatty Acyl Chlorides with 10-18 Carbons for the Ball-Milling Synthesis of Thermoplastic Cellulose Esters.

Fatty acid cellulose esters (FACE) are common cellulose-based thermoplastics, and their thermoplasticity is determined by both the contents and the lengths of the side chains. Herein, various FACE were synthesized by the ball-milling esterification of cellulose and fatty acyl chlorides containing 10-18 carbons, and their structures and thermoplasticity were thoroughly studied. The results showed that FACE with high degrees of substitution (DS) and low melting flow temperatures () were achieved as the chain lengths of the fatty acyl chlorides were reduced.

Structure of a unique PSII-Pcb tetrameric megacomplex in a chlorophyll -containing cyanobacterium.

is a unique cyanobacterium using chlorophyll (Chl ) as its major pigment and thus can use far-red light for photosynthesis. Photosystem II (PSII) of associates with a number of prochlorophyte Chl-binding (Pcb) proteins to act as the light-harvesting system. We report here the cryo-electron microscopic structure of a PSII-Pcb megacomplex from at a 3.

Enhancing Sodium-Ion Transport by Hollow Nanotube Structure Design of a VS@C Anode for Sodium-Ion Batteries.

VS has received extensive attention in the field of sodium-ion batteries (SIBs) due to its two-dimensional (2D) layered structure, and weak van der Waals forces between V-S accelerate the transport of sodium ions. However, the long-term cycling of VS still suffers from volume expansion and low conductivity. Herein, a hollow nanotube VS@C (H-VS@C) with improved conductivity was synthesized by a solvothermal method to alleviate cracking caused by volume expansion.

Effect of Residual Stress and Microstructure on the Fatigue Crack Growth Behavior of Aluminum Friction Stir Welded Joints.

Friction stir welding (FSW) has been adopted in the aerospace industry for fabricating structural alloys due to the low melting point and high thermal conductivity of aviation aluminum alloys. However, welding residual stresses can lead to secondary deformation in friction stir welded (FSWed) structures. Additionally, microstructural characteristics impact the crack growth rates and directions in these structures.

The willingness and influencing factors to choose institutional elder care among rural elderly: an empirical analysis based on the survey data of Shandong Province.

Background: The ageing of the population has become an escalating problem in China, which has led to an increasing demand for healthcare throughout society. The care services of elderly institutions, as a more mature way of aging, can alleviate various social problems brought about by ageing to a certain extent. The aim of this paper is to explore the degree of acceptance of institutional care by rural elderly people in Shandong Province and the factors that influence whether rural elderly people accept institutional care services.

Tim-3 deficiency aggravates cadmium nephrotoxicity via regulation of NF-κB signaling and mitochondrial damage.

Kidney is the target organ of serious cadmium injury. Kidney damage caused by cadmium exposure is greatly influenced by the inflammatory response and mitochondrial damage. T cell immunoglobulin domain and mucin domain 3 (Tim-3) is an essential protein that functions as a negative immunological checkpoint to regulate inflammatory responses.

Comparative genomics reveals evolutionary drivers of the dietary shift in Hemiptera.

Hemiptera insects exhibit a close relationship to plants and demonstrate a diverse range of dietary preferences, encompassing phytophagy as the predominant feeding habit while a minority engages in carnivorous or haematophagous behaviour. To counteract the challenges posed by phytophagous insects, plants have developed an array of toxic compounds, causing significant evolutionary selection pressure on these insects. In this study, we employed a comparative genomics approach to analyse the expansion and contraction of gene families specific to phytophagous insect lineages, along with their adaptive evolutionary traits, utilising representative species from the Hemiptera order.