DHAG-DTA: Dynamic Hierarchical Affinity Graph Model for Drug-Target Binding Affinity Prediction.

Computational methods for predicting drug-target binding affinity (DTA) are critical for large-scale screening of prospective therapeutic compounds during drug discovery. Deep neural networks (DNNs) have recently shown significant promise for DTA prediction. By leveraging available data for training, DNNs can expand the use of DTA prediction to situations where only sequence information is available for potential drug molecules and their targets, and there is no prior knowledge regarding the molecular geometric conformations.

Kindlin-1 promotes mitophagy by inhibiting PINK1 degradation to enhance hepatocellular carcinoma progression and modulates sensitivity to donafenib.

Mitophagy, essential for mitochondrial homeostasis, may affect hepatocellular carcinoma (HCC) progression and drug sensitivity, though its precise role remains unclear. Kindlin-1 is an adhesion protein which can regulate the function of integrins, resulting in an aggressive phenotype in certain solid malignant tumors.This study explored the clinical significance and cellular functions of Kindlin-1 in HCC.

Fatty acid-binding proteins in cancers.

Fatty acid-binding proteins (FABPs) are intracellular lipid chaperones with molecular weights of approximately 14-15 kDa. By binding and transporting fatty acids and lipid-related molecules, FABPs precisely regulate metabolic pathways, signal transduction, and gene expression, playing a central role in cancer initiation and progression. The 11 identified subtypes (FABP1-FABP12; FABP11 is identical to FABP3) exhibit tissue-specific expression and influence tumor progression through metabolic reprogramming, immune microenvironment modulation, and therapy resistance.

Bacterial extracellular vesicles: emerging mediators of gut-liver axis crosstalk in hepatic diseases.

Bacterial Extracellular Vesicles (BEVs) are key mediators of cross-talk between gut microorganisms and host organs, playing an especially important role in the gut-liver axis. In this paper, we systematically review the mechanisms of BEV production, their classification, and their regulatory networks in liver diseases. BEVs carry pathogenic factors such as lipopolysaccharide (LPS) and bacterial DNA, which can enter the circulatory system by disrupting the intestinal barrier and target the liver to induce metabolic abnormalities, including insulin resistance.

Predict status of axillary lymph node after neoadjuvant chemotherapy with dual-energy CT in breast cancer.

Background: A proportion of breast patients achieve axillary pathological complete response (pCR) following NAC. However, few studies have investigated the potential of quantitative parameters derived from dual-energy CT (DECT) for predicting axillary lymph node (ALN) downstaging after NAC.

Methods: This study included a prospective training and retrospective validation cohort from December 2019 to June 2022.

Single-cell and transcriptomic analyses reveal the role of PCDH17 in the non-inflammatory tumor microenvironment of pancreatic cancer.

Background: The PCDH17 family has emerged as a prominent research focus in the field of oncology; however, the precise mechanism underlying the regulatory role of PCDH17 in shaping the inflammatory tumor microenvironment in pancreatic cancer remains elusive.

Method: A thorough examination was carried out to explore the presence of PCDH17 in cancerous tumor tissues and its association with genes related to inflammation. Additionally, we comprehensively examined the association between PCDH17 and immune cell infiltration as well as immunotherapy in pancreatic cancer.

Associations between the meniscal lesion parameters and knee joint structures and symptoms in patients with symptomatic knee osteoarthritis.

Background: To investigate cross-sectional associations between meniscal lesion parameters and knee joint structures and symptoms in patients with symptomatic knee osteoarthritis (KOA).

Methods: A total of 102 subjects with symptomatic KOA were included in this study. Coronal magnetic resonance imaging was used to measure the meniscal parameters including the mean distance from medial to lateral meniscal lesions (Mean(MLD)), the mean value of tibial plateau width (Mean(TPW)) and the mean of the relative percentage of the medial to lateral meniscal lesions distance (Mean(RMLD)).

Linear Radical Additions-Coupling Polymerization (LRAsCP): Model, Experiment and Application.

Exploring new polymerization strategies for currently available monomers is a challenge in polymer science. Herein, a bifunctional initiator (BFI) is introduced for the conventional radical polymerization of a vinyl monomer, resulting in linear radical additions-coupling polymerization (LRAsCP). In LRAsCP, the coupling reaction alongside the addition reaction of the radicals contributes to the construction of polymer chains, which leads to stepwise growth of the multiblock structure.

Under the wave of environmentalism: How public attention unmasks the green-washing disguise of corporations.

To guide public active participation in environmental governance and curb corporate greenwashing, this paper utilizes microdata from A-share listed companies spanning from 2011 to 2021 to explore the impact of public environmental concern on corporate greenwashing behavior. The study found that public environmental concerns significantly inhibit corporate greenwashing, but the inhibiting effect shows a diminishing marginal return. Furthermore, public environmental concerns show a stronger inhibiting effect in enterprises with fewer financing constraints, lower pollution levels, and no political connections.

Targeting Poly (ADP-ribose) polymerase-1 (PARP-1) for DNA repair mechanism through QSAR-based virtual screening and MD simulation.

Poly (ADP-ribose) polymerase-1 (PARP-1) is a key enzyme in the base excision repair pathway, crucial for maintaining genomic stability by repairing DNA breaks. In cancers with mutations in DNA repair genes, such as BRCA1 and BRCA2, PARP-1 activity becomes essential for tumor cell survival, making it a promising target for therapeutic intervention. This study employs QSAR modeling, virtual screening, and molecular dynamics (MD) simulations to identify potential PARP-1 inhibitors.

PRKCSH enhances colorectal cancer radioresistance via IRE1α/XBP1s-mediated DNA repair.

Neoadjuvant radiotherapy is the standard treatment for locally advanced rectal cancer, but resistance to this therapy remains a significant clinical challenge. Understanding the molecular mechanisms of radioresistance and developing strategies to enhance radiosensitivity are crucial for improving treatment outcomes. This study investigated the role of PRKCSH in colorectal cancer radioresistance and its underlying mechanisms.

The Flip Side of the Coin: METTL3 Serves as a Novel Cellular Senescence Accelerator via Negative Regulation of ITGA9.

N6-Methyladenosine (m6A), a prevalent and dynamically regulated chemical modification, has recently emerged as a crucial post-transcriptional regulator of gene expression, and affected diverse eukaryotic biological processes. However, the role of m6A modification in aging research was still rarely reported. Herein, we uncovered that both the m6A modification level and the expression level of the methyltransferase METTL3 were significantly elevated during the aging process, as observed in the physiological aging mouse model in vivo, and the cellular senescence model in vitro.

Research progress on artificial intelligence technology-assisted diagnosis of thyroid diseases.

With the rapid development of the "Internet + Medical" model, artificial intelligence technology has been widely used in the analysis of medical images. Among them, the technology of using deep learning algorithms to identify features of ultrasound and pathological images and realize intelligent diagnosis of diseases has entered the clinical verification stage. This study is based on the application research of artificial intelligence technology in medical diagnosis and reviews the early screening and diagnosis of thyroid diseases.

Prognostic and Therapeutic Significance of Cancer-Associated Fibroblasts Genes in Osteosarcoma Based on Bulk and Single-Cell RNA Sequencing Data.

Osteosarcoma (OS) is the most frequent primary solid malignancy of bone, whose course is usually dismal without efficient treatments. The aim of the study was to discover novel risk models to more accurately predict and improve the prognosis of patients with osteosarcoma. The single-cell RNA sequencing (scRNA-seq) data was obtained from the GEO database.

MOF-derived Cu@CuO nanoclusters for photothermally enhanced Fenton-like catalytic degradation of dye pollutants.

This paper presents a synthesis method for a novel octahedral Cu@CuO nanocluster (NAs), which is prepared by calcining Cu-BTC (metal-organic framework, 1,3,5-benzenetricarboxylate) in air, resulting in a porous carbon structure. The obtained Cu@CuO nanoclusters exhibit heterogeneous interfaces between Cu and CuO, significantly enhancing their Fenton-like catalysis and photothermal properties. Using SEM, TEM, XPS, and XRD techniques, the Cu@CuO NAs were comprehensively characterized.

Cer-ConvN3Unet: an end-to-end multi-parametric MRI-based pipeline for automated detection and segmentation of cervical cancer.

Background: We established and validated an innovative two-phase pipeline for automated detection and segmentation on multi-parametric cervical cancer magnetic resonance imaging (MRI) and investigated the clinical efficacy.

Methods: The retrospective multicenter study included 125 cervical cancer patients enrolled in two hospitals for 14,547 two-dimensional images. All the patients underwent pelvic MRI examinations consisting of diffusion-weighted imaging (DWI), T2-weighted imaging (T2WI), and contrast-enhanced T1-weighted imaging (CE-T1WI).

TRACE Model: Predicting Treatment Response to Transarterial Chemoembolization in Unresectable Hepatocellular Carcinoma.

Purpose: To develop and validate a predictive model for predicting six-month outcome by integrating pretreatment MRI features and one-month treatment response after TACE.

Methods: A total of 108 patients with 160 hCCs from a single-arm, multicenter clinical trial (NCT03113955) were analyzed and served as the training cohort. An external multicenter dataset (ChiCTR2100046020) consisting of 63 patients with 99 hCCs served as the test dataset.

Interfacial seed-assisted FAPbI crystallization and phase stabilization enhance the performance of all-air-processed perovskite solar cells.

Formamidinium lead triiodide (FAPbI) has received significant attention in the field of perovskite solar cells (PSCs) owing to its excellent optoelectronic properties and high thermal stability. However, the photoactive α-FAPbI perovskites are highly susceptible to degradation into non-perovskite δ-FAPbI phases, especially under humid conditions, which severely diminishes the device performance of FAPbI PSCs. Here, we propose an interfacial seeding strategy for regulating crystallization and stabilizing α-FAPbI perovskites in humid air.

Reducing Nonradiative Recombination in Halide Perovskites through Appropriate Band Gaps and Heavy Atomic Masses.

Halide perovskite optoelectronic devices achieve high energy conversion efficiencies. However, their efficiency decreases significantly with an increase in temperature. This decline is likely caused by changes in nonradiative recombination and electron-phonon coupling, which remain underexplored.

Unprecedented short-circuit current density and efficiency of vacuum-deposited organic solar cells based on 8H-thieno[2',3':4,5]thieno[3,2-b] thieno[2,3-d]pyrrole.

Despite the many advantages for industrial mass production, vacuum-deposited organic solar cells (OSCs) suffer from low efficiency, primarily due to the limited molecular library of small-molecule donor and acceptor materials, which remains a significant challenge. Herein, two donor-acceptor-acceptor (D-A-A)-configured small-molecule donors, named TTBTDC and TTBTDC-F were synthesized, using 8H-thieno[2',3':4,5]thieno[3,2-b]thieno[2,3-d]pyrrole (TTP) as a new fused-ring donor unit. Benefiting from the strong electron-donating ability of the TTP moiety and the adoption of the D-A-A molecular configuration, these molecules exhibited strong visible and near-infrared absorption as well as deep-lying highest occupied molecular orbital (HOMO) energy levels.

Dual-Oxide Bridge-Trap Structure via Atomic Layer Infiltration for Enhanced Performance of Quantum Dot Photodetector.

Achieving high-performance lead sulfide quantum dot (PbS QD)-based photodetectors requires enhanced carrier transfer, which inevitably leads to an increased dark current. Balancing a high photocurrent and low dark current is crucial. In this work, a bridge-trap structure constructed by the atomic layer deposition of dual oxides is proposed to simultaneously enhance photoresponse performance and reduce dark current.

Regulatory Mechanism of Exogenous ABA on Gibberellin Signaling and Antioxidant Responses in Pall. Under UV-B Stress.

In the present work, we examined the effects of exogenous abscisic acid (ABA) under ultraviolet B (UV-B) exposure on gibberellin (GA) production, signaling, and antioxidant-related genes in Pall (). Using transcriptomics, acetylated proteomics, and widely targeted metabolomics, the effects of UV-B stress on and the regulatory effects of exogenous ABA on it were revealed from multiple perspectives. The findings revealed that 's antioxidant enzyme genes were differentially expressed by UV-B radiation and were substantially enriched in the glutathione metabolic pathway.

Neuroligin 1 Regulates Autistic-Like Repetitive Behavior through Modulating the Activity of Striatal D2 Receptor-Expressing Medium Spiny Neurons.

Restricted and repetitive behavior (RRB) is a primary symptom of autism spectrum disorder (ASD), which poses a significant risk to individuals' health and is becoming increasingly prevalent. However, the specific cellular and neural circuit mechanisms underlying the generation of RRB remain unclear. In this study, it is reported that the absence of the ASD-related protein Neuroligin 1 (NLGN1) in dopamine receptor D2-expressing medium spiny neurons (D2-MSNs) in the dorsal striatum is associated with the duration and frequency of self-grooming and digging behaviors.

Strigolactone modulates phenolic acid accumulation and thereby improves tolerance to UV-B stress in Rhododendron chrysanthum Pall.

Multi-omics studies have shown that strigolactone modulates phenolic acid accumulation in the leaves of R. chrysanthum and can enable it to cope with UV-B stress. UV-B stress is an abiotic stress that plants will inevitably suffer during growth and can seriously affect the normal physiological state of plants.