J Chem Inf Model
August 2025
Accurate modeling of protein-peptide interactions is essential for understanding fundamental biological processes and designing peptide-based drugs. However, predicting the complex structures of these interactions remains challenging, primarily due to the high conformational flexibility of peptides. To support a fair and systematic evaluation of recent deep learning (DL) approaches, we introduce PepPCBench, a benchmarking framework tailored to assess protein folding neural networks (PFNNs) in protein-peptide complex prediction.
View Article and Find Full Text PDFWith the sustained growth of the economy and significant changes in social demographics, the issue of elderly-related diseases has increasingly drawn attention, particularly. Alzheimer's disease (AD), as a representative disease of neurodegenerative diseases, has become a major challenge, affecting the health and quality of life of the elderly population severely. In recent years, the incidence, prevalence and mortality rates of AD have increased in China, imposing substantial economic burdens on families, society and the entire healthcare system.
View Article and Find Full Text PDFBackground: Sepsis-induced myopathy (SIM) is a severe complication of sepsis, leading to significant muscle dysfunction and increased mortality. The molecular mechanisms underlying SIM remain poorly understood, necessitating comprehensive studies to identify potential therapeutic targets. This study aims to explore the molecular basis of SIM through gene expression analysis and bioinformatics approaches.
View Article and Find Full Text PDFUnlabelled: Development of bone metastases increases mortality in patients with medullary thyroid cancer (MTC), with ∼50% survival at 5 years after diagnosis, but the underlying mechanisms are unknown. We show that patient-derived MTC cells ( mutant TT cells and mutant MZCRC1 cells) promote an osteoblastic phenotype due to reduced bone resorption. Mechanistically, activated RET increases the expression of osteoprotegerin (OPG), an inhibitor of bone resorption, leading to decreased osteoclast differentiation.
View Article and Find Full Text PDFWhole grains and dietary fibers like arabinoxylan (AX) are crucial for human health. However, randomized controlled trials on AX-rich supplements show inconsistent outcomes, with ambiguous explanations. This study aims to differentiate the impact of foods rich in intrinsic versus isolated AXs on immunometabolic profiles.
View Article and Find Full Text PDFRecently, anti-protein arginine methyltransferase 5 (PRMT5) antibodies has been identified a novel marker for systemic sclerosis (SSc). The present study aimed to to explore the association between anti-PRMT5 antibodies and rheumatoid arthritis (RA). The study recruited a cohort of 33 patients diagnosed with SSc, 87 patients with RA, and 31 healthy control subjects.
View Article and Find Full Text PDFAcute pancreatitis (AP) is associated with high mortality rates and is characterized by increased cell death of acinar cells, with the premature release and activation of digestive enzymes. In its acute phase, AP is accompanied by increased efferocytosis, to clear phagocytic apoptotic cells; annexin A1 (Anxa1) is key to efferocytosis, but its role in AP is still unknown. Here we show that Anxa1 deficiency abrogates the efferocytosis of pancreatic macrophages, resulting in the accumulation of apoptotic acinar cells and necrosis.
View Article and Find Full Text PDFFirst-line treatments for severe aplastic anemia (SAA) patients include HLA-matched sibling donor hematopoietic stem cell transplantation (MSD-HSCT) for young patients and immunosuppressive therapy (IST) for those without suitable donors or with advanced age. Nevertheless, MSD-HSCT is limited by donor availability, while IST is associated with high relapse and clonal evolution risks. Haploidentical hematopoietic stem cell transplantation (haplo-HSCT) is commonly recommended as salvage therapy for SAA patients following primary IST failure.
View Article and Find Full Text PDFHydrocracking of polyolefins using metal-zeolite catalysts offers a promising route for upcycling plastic waste into valuable fuels. However, achieving high-efficiency hydrocracking remains a significant challenge due to the complex depolymerization mechanisms, which hinder the optimization of catalyst structures. Here, we present a novel catalyst design strategy that achieves precise spatial control of Pt and acid sites by strategically positioning Pt clusters on the external surfaces and within the channels of H-Beta (Hβ) zeolite.
View Article and Find Full Text PDFMetabolic alterations and genomic instability are the hallmark features of many cancers. However, the precise mechanisms underlying the intricate links among these processes remain largely unknown. Here, a molecular mechanism is presented that regulates the interplay between cellular energy metabolism and DNA repair.
View Article and Find Full Text PDFAdv Sci (Weinh)
August 2025
The precise matching of medication regimens to individual patients, known as personalized medication, is critical for the effective management of chronic diseases. Traditional machine learning-based models for personalized medication regimens typically rely solely on either clinical macro-phenotypes or molecular-level drug characteristics. It remains challenging to capture the patient-medication relationship from a comprehensive perspective that integrates individual patient characteristics with macro- and micro-level properties of the medication.
View Article and Find Full Text PDFAqueous zinc-bromine (Zn-Br) batteries have emerged as promising candidates for grid-scale energy storage due to their intrinsic safety and low cost. However, their practical deployment is hindered by the dissolution of polybromide species at the cathode and their subsequent shuttling and corrosive reactions at the zinc anode, which severely limit areal capacity and cycling stability. Herein, a Taiji-inspired dual-electrode stabilization strategy is developed to synergistically regulate interfacial chemistry at both electrodes, enabling durable high-areal-capacity Zn-Br batteries.
View Article and Find Full Text PDFBiomacromolecules
September 2025
To synthesize functional polypeptoids, the most straightforward strategy involves designing tailored amino acids to generate corresponding -substituted glycine -carboxyanhydrides (NNCAs) or -substituted glycine -thiocarboxyanhydrides (NNTAs). An alternative route is offered by postpolymerization modification. However, the potential method of modifying NNCA and NNTA monomers to produce functional polypeptoids has received scant attention.
View Article and Find Full Text PDFPitaya is a high-value perennial tropical fruit known for its nutritional and health benefits. It is now widely cultivated in many tropical and subtropical countries, offering strong economic returns. China ranks first globally in pitaya cultivation, which includes both open-field production in tropical and subtropical regions and facility-based cultivation in temperate zones.
View Article and Find Full Text PDFPurpose: This study aimed to evaluate the therapeutic efficacy, safety, and biocompatibility of calcium alginate hydrogel in suprachoroidal buckling procedures performed on rabbit eyes.
Methods: A total of 21 healthy New Zealand White rabbits underwent surgery, during which calcium alginate hydrogel was injected into the suprachoroidal space of one eye. Monthly ophthalmic examinations were performed for 3 months following the procedure.
Background: Memory impairment, a hallmark manifestation of neurodegenerative disorders exemplified by Alzheimer's disease, constitutes a critical global public health challenge requiring urgent therapeutic innovation. The present study aims to systematically investigate the potential mechanisms of fish scale collagen peptides (FSCP) in enhancing cognitive function through behavioral experiments, detection of hippocampal biochemical indicators and histopathological observation. Concurrently, liquid chromatography-tandem mass spectrometry analysis and in silico methods were utilized to screen active peptide fragments with potential auxiliary effects on memory improvement.
View Article and Find Full Text PDFAs an alternative to traditional pesticides, sulfoxaflor (SFX) is a sulfoximine insecticide with the same mechanism of action as neonicotinoid insecticides (NNIs). However, increasing evidence suggests that SFX poses a threat to aquatic organisms. To investigate the toxic effects and potential risks in amphibians, bioaccumulation and elimination experiments were conducted at environmentally relevant concentrations.
View Article and Find Full Text PDFThe current study aimed to explore the efficacy and safety of excisional goniotomy using the Kahook Dual Blade (KDB-GTE) in refractory glaucoma. A total of 20 eyes from 19 subjects with mild to late-stage refractory glaucoma who underwent standalone KDB goniotomyor combined phacoemulsification plusintraocular lens (IOL) implantation (partially combined withgoniosynechialysis) in Beijing Tongren Hospital from August 2021 to April 2023 were included. There were 9 males and 10 females, with a mean age of (57±17) years and a follow-up time of (19.
View Article and Find Full Text PDFDrip irrigation represents a key water-saving strategy in arid agricultural systems, but its influence on soil organic carbon (SOC) dynamics, particularly labile organic carbon (LOC) fractions, remains poorly understood. Here, we examined how converting flood to drip irrigation alters C stocks, LOC fractions, and associated microbial communities. The conversion from flood to drip irrigation decreased SOC while largely increasing soil inorganic carbon (SIC), ultimately enhancing total C stocks in the whole soil profile.
View Article and Find Full Text PDFNeuroimmunological mechanisms are essential for maintaining bodily homeostasis. Abnormal activation of these mechanisms is significantly linked to various skin disorders and constitutes a significant component in the development of these diseases. However, the involvement of neuroimmunological interactions in psoriasis pathogenesis is not yet fully understood.
View Article and Find Full Text PDFSemin Pediatr Surg
August 2025
This paper explores the integral role of advocacy in pediatric surgery, a critical yet often underrepresented aspect of surgical education that influences healthcare policies, systems, and patient outcomes. Through a comprehensive review, we discuss the challenges and strategies for integrating advocacy training into pediatric surgical curricula,emphasizing experiential learning, structured mentorship, and community engagement. We highlight the unique position of pediatric surgeons in advocating for vulnerable populations, exemplified by their efforts in firearm injury prevention and healthcare accessibility.
View Article and Find Full Text PDFZhonghua Nan Ke Xue
February 2025
Objective: To explore the influence of oligospermia (OS) on the detection of sperm DNA fragmentation index (DFI) by fluorescence method based on artificial intelligence (AI) recognition and flow cytometry-based sperm chromatin structure assay (SCSA).
Methods: We collected semen samples from 201 males, including 50 azoospermia (AS) patients as negative controls, 90 OS patients (sperm concentration >0×10⁶/ml and <15×10⁶/ml), and 61 normal men (sperm concentration ≥15×10⁶/ml). Then we subdivided the OS patients into a mild OS (sperm concentration ≥10×10⁶/ml and <15×10⁶/ml), a moderate OS (sperm concentration ≥5×10⁶/ml and <10×10⁶/ml) and a severe/extremely severe OS group (sperm concentration >0×10⁶/ml and <5×10⁶/ml), with 30 cases in each group, and compared the results of DFI detection between the AI fluorescence method and traditional flow cytometry.
Zhonghua Nan Ke Xue
December 2024
Objective: To compare the effects of normal-pressure drainage (norPD) and negative-pressure drainage (negPD) after laparoscopic radical prostatectomy (LRP) in the treatment of PCa.
Methods: We retrospectively analyzed the clinical and follow-up data on 87 cases of PCa treated by LRP from October 2019 to October 2022, 46 receiving norPD and the other 41 negPD postoperatively. We indwelt an F20 pelvic drainage tube for each of the patients, which were connected to an anti-reflux drainage bag for those in the norPD group and a 200 ml negative pressure ball for those in the negPD group, and removed the tubes at the drainage volume ≤30 ml/d.
Recent studies have highlighted RNA modifications as integral regulators of gene expression during spermatogenesis. Ribosomal RNAs (rRNAs) are the most abundant RNA in cells, while the function and clinical relevance of rRNA modifications in spermatogenesis remain poorly understood. Here, we identified 4 pathogenic heterozygous variants of METTL5 in 1,427 patients with male infertility characterized as oligoasthenoteratozoospermia (OAT).
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