CPconf_score: A Deep Learning Free Energy Function Trained Using Molecular Dynamics Data for Cyclic Peptides.

Accurate structural feature characterization of cyclic peptides (CPs), especially those with less than 10 residues and -peptide bonds, is challenging but important for the rational design of bioactive peptides. In this study, we performed high-temperature molecular dynamics (high-T MD) simulations on 250 CPs with random sequences and applied the point-adaptive k-nearest neighbors (PAk) method to estimate the free energies of millions of sampled conformations. Using this data set, we trained a SchNet-based deep learning model, termed CPconf_score, to predict the conformational free energies of CPs.

Identification of the MAP4K gene family reveals GhMAP4K13 regulates drought and salt stress tolerance in cotton.

Mitogen-activated protein kinase kinase kinase kinases (MAP4Ks) are a class of highly conserved serine/threonine-protein kinases in eukaryotes. They participate in the typical MAPK cascade system and various signal transduction pathways regulating biological processes in plants, during stressful conditions. To date, genome-wide identification of MAP4Ks in cotton has not been reported.

Prevalence and influencing factors of elder abuse tendency among Chinese caregivers working in Gansu Province nursing homes: A cross-sectional study.

Background: Elder abuse is a global public health and human rights concern that is predicted to increase with the rapid increase in the elderly population in China.

Objectives: To investigate the incidence of elder abuse tendency and factors related to such a tendency among caregivers working in nursing homes.

Methods: A cross-sectional study comprising 412 caregivers from nursing homes was conducted.

Research trends and frontiers on risk factors of urinary stones: a bibliometric analysis from 2010 to 2023.

Background And Objective: The occurrence of urinary stone disease (USD) is associated with several factors. However, no conclusive results have been reached regarding the treatment of USD risk factors. This study conducted a detailed bibliometric analysis of USD risk factors to determine research hotspots and provide future development directions.

Selective-excitation-based method for measurement of NMR relaxation time.

Background: Relaxation time provides invaluable insights into the molecular structure, interactions, and dynamics in nuclear magnetic resonance spectroscopy. However, conventional relaxation-time measurement techniques produce inaccurate relaxation times when the spectral peaks overlap because of the narrow chemical-shift range and J-coupled splitting. While the combination of pure-shift methods can solve this issue, they are not widely used due to their inherent drawbacks such as low sensitivity and long acquisition time.

Functional Monitoring of Patients With Knee Osteoarthritis Based on Multidimensional Wearable Plantar Pressure Features: Cross-Sectional Study.

Background: Patients with knee osteoarthritis (KOA) often present lower extremity motor dysfunction. However, traditional radiography is a static assessment and cannot achieve long-term dynamic functional monitoring. Plantar pressure signals have demonstrated potential applications in the diagnosis and rehabilitation monitoring of KOA.

Gastroesophageal reflux disease influences blood pressure components, lipid profile and cardiovascular diseases: Evidence from a Mendelian randomization study.

Background: Gastroesophageal reflux disease (GERD) is a prevalent gastrointestinal disorder associated with a range of cardiovascular and metabolic complications. However, the relationship between GERD and blood pressure components, lipid profile, and cardiovascular diseases remains unclear.

Methods: Leveraging genetic variants associated with GERD as instrumental variables, we performed this Mendelian randomization (MR) analyses.

Mechanism behind overestimating the duration of fearful expressions: The role of arousal and memory.

Background: Previous studies have demonstrated that individuals overestimate the time duration of fear-related stimuli compared with relatively neutral stimuli. However, their physiological and psychological mechanisms behind this effect remain unclear. This study investigates the overestimation the duration perception of fearful faces and its relationship with general cognitive ability (short-term memory, working memory, and attentional inhibition).

Ionic aggregates induced room temperature autonomous self-healing elastic tape for reducing ankle sprain.

Traditional kinesiology tape (KT) is an elastic fabric tape that clinicians and sports trainers widely use for managing ankle sprains. However, inadequate mechanical properties, adhesive strength, water resistance, and micro-damage generation could affect the longevity of the tape on the skin during physical activity and sweating. Therefore, autonomous room-temperature self-healing elastomers with robust mechanical properties and adequate adhesion to the skin are highly desirable to replace traditional KT.

A smartphone-based immunochromatographic strip platform for on-site quantitative detection of antigenic targets.

To report the testing signal of an immunochromatographic assay for on-site quantitative detection, a portable and user-friendly smartphone-based biosensing platform is developed in this study. This innovative system is composed of an ambient light sensor inherent smartphone reader and a 3D-printed handhold device, a quantitative tool capable of directly interpreting carbon nanoparticle (CNP)-conjugated immunochromatographic strips. To showcase the platform capability, the smartphone-based immunochromatography system (SPICS) reader and device were successfully used in CNP strips for rapid detection of the early pregnancy marker human chorionic gonadotropin in female urine (HCG; limit of detection [LOD]: 0.

Opposite Effects of Planting on Antibiotic Resistomes in Rhizosphere Soil with Different Sulfamethoxazole Levels.

Achieving consensus about the rhizosphere effect on soil antibiotic resistomes is challenging due to the variability in antibiotic concentrations, sources, and the elusory underlying mechanisms. Here, we characterized the antibiotic resistomes in both the rhizosphere and bulk soils of soybean plants grown in environments with varying levels of antibiotic contamination, using sulfamethoxazole (SMX) as a model compound. We also investigated the factors influencing resistome profiles.

Impacts of ultraviolet absorption by zinc oxide nanoparticle modifiers on asphalt aging.

Ultraviolet absorption ability of modifiers is essential to protect asphalt from ageing. However, the detailed correlation between them remains unclear. In this study, zinc oxide nanoparticles were used as modifiers, and their ultraviolet absorption ability was manipulated by magnesium and aluminum doping.

Effects of Physical Activity Interventions on Physical Self-Perception in College Students: A Systematic Review and Meta-Analysis.

Background: Although the physical activities have demonstrated efficacy in improving physical self-perception, the findings of available studies in college students were conflicting. This review aimed to examine the effects of physical activity interventions on physical self-perception in college students.

Methods: Web of Science, PubMed, Cochrane Library, EBSCOhost, Embase, Scopus, CNKI, WanFang, and Chinese Technical Periodicals were searched from inception to April 2024.

Efficacy of NKG2D CAR-T cells with IL-15/IL-15Rα signaling for treating Epstein-Barr virus-associated lymphoproliferative disorder.

Epstein-Barr virus (EBV) related post-transplant lymphoproliferative disorder (EBV-PTLD) is a life-threatening complication after hematopoietic stem cell transplantation (HSCT) or solid organ transplantation (SOT), for which no standard therapeutic means have been developed. Significant increase expression of natural killer group 2 member D ligands (NKG2DLs) was observed on B-lymphoblastoid cells of EBV-PTLD, indicating NKG2DLs as potential therapeutic targets for treatment of EBV-PTLD. In this study, the recombinant constructs of NKG2D CAR and IL-15/IL-15Rα-NKG2D CAR were generated with a retroviral vector and then transduced to human T cells to produce NKG2D CAR-T and IL-15/IL-15Rα-NKG2D CAR-T cells, respectively.

Bioinformatics and systems biology approach to identify the pathogenetic link of neurological pain and major depressive disorder.

Neurological pain (NP) is always accompanied by symptoms of depression, which seriously affects physical and mental health. In this study, we identified the common hub genes (Co-hub genes) and related immune cells of NP and major depressive disorder (MDD) to determine whether they have common pathological and molecular mechanisms. NP and MDD expression data was downloaded from the Gene Expression Omnibus (GEO) database.

Direct comparison of bone marrow biopsy and PET/CT for the detection of bone marrow infiltration in patients with non-Hodgkin lymphoma: a meta-analysis.

Background: The diagnostic utility of F-18 fluorodeoxyglucose positron emission tomography/computed tomography (PET/CT) compared to bone marrow biopsy (BMB) in patients with non-Hodgkin lymphoma (NHL) remained to be confirmed. This study aimed to compare BMB and PET/CT for bone marrow infiltration (BMI) in patients with NHL.

Methods: PubMed, Embase, and the Cochrane library were searched for papers published up to October 2021.

Comparable cerebral cortex activity and gait performance in elderly hypertensive and healthy individuals during dual-task walking: A fNIRS study.

Background: Hypertension increases the risk of cognitive impairment and related dementia, causing impaired executive function and unusual gait parameters. However, the mechanism of neural function illustrating this is unclear. Our research aimed to explore the differences of cerebral cortex activation, gait parameters, and working memory performance between healthy older adults (HA) and older hypertensive (HT) patients when performing cognitive and walking tasks.