Ligand-Conditioned Side Chain Packing for Flexible Molecular Docking.

Molecular docking is a crucial technique for elucidating protein-ligand interactions. Machine learning-based docking methods offer promising advantages over traditional approaches, with significant potential for further development. However, many current machine learning-based methods face challenges in ensuring the physical plausibility of generated docking poses.

Surface Fluorination of Silicone Rubber with Enhanced Stain Resistance and Slip Properties.

Silicone rubber (SR) holds significant potential for everyday wearable devices due to its inherent sweat resistance and flexibility. However, its broader applicability is constrained by poor oil resistance and a suboptimal slip performance. In this study, we developed an SR with durable oil resistance and enhanced slip properties by forming a covalently bonded barrier layer on its surface through a one-step in situ fluorination reaction using F/N.

All-solid Conductive Elastomers Bridging Mechanical Performance and Sustainability for Durable and Multifunctional Electronics.

The next generation of stretchable electronics seeks to integrate superior mechanical properties with sustainability and sensing stability. Ionically conductive and liquid-free elastomers have gained recognition as promising candidates, addressing the challenges of evaporation and leakage in gel-based conductors. In this study, a sustainable polymeric deep eutectic system is synergistically integrated with amino-terminated hyperbranched polyamide-modified fibers and aluminum ions, forming a conductive supramolecular network with significant improvements in mechanical performance.

Discovery of an Enzyme-Activated Fluorogenic Probe for Profiling of Acylaminoacyl-Peptide Hydrolase.

Acylaminoacyl-peptide hydrolase (APEH), a serine peptidase that belongs to the prolyl oligopeptidase (POP) family, catalyzes removal of N-terminal acetylated amino acid residues from peptides. As a key regulator of protein N-terminal acetylation, APEH was involved in many important physiological processes while its aberrant expression was correlated with progression of various diseases such as inflammation, diabetics, Alzheimer's disease (AD), and cancers. However, while emerging attention has been attracted in APEH-related disease diagnosis and drug discovery, the mechanisms behind APEH and related disease progression are still unclear; thus, further investigating the physiological role and function of APEH is of great importance.

High-Performance Mechano-Sensitive Piezoelectric Nanogenerator from Post-Treated Nylon-11,11 Textiles for Energy Harvesting and Human Motion Monitoring.

Piezoelectric polymer textiles offer distinct advantages in the fabrication of wearable nanogenerators (NGs). One effective strategy to enhance the output capacity of NGs is to modulate the piezoelectric performance of the textiles. This paper focuses on further improving the piezoelectric properties of nylon-11,11 textiles through post-drawing and annealing treatments.

Delineation of reduced CTV2 on the basis of the characteristics and distribution of cervical lymph node metastasis in nasopharyngeal carcinoma.

Introduction: The core objective of this study was to precisely locate metastatic lymph nodes, identify potential areas in nasopharyngeal carcinoma patients that may not require radiotherapy, and propose a hypothesis for reduced target volume radiotherapy on the basis of these findings. Ultimately, we reassessed the differences in dosimetry of organs at risk (OARs) between reduced target volume (reduced CTV2) radiotherapy and standard radiotherapy.

Methods And Materials: A total of 209 patients participated in the study.

The incidence of inflow and drain pain and associated risk factors for patients on peritoneal dialysis.

Background: The high prevalence and prolonged duration of inflow pain and drain pain experienced by peritoneal dialysis (PD) patients following PD catheter implantation impact their quality of life. However, there is limited data on the frequency and predisposing factors of these pains in the Chinese population undergoing peritoneal dialysis.

Methods: This study encompassed individuals who underwent peritoneal dialysis catheter implantation at our institution from September 1, 2023, to March 31, 2024.

Unveiling the omics tapestry of B-acute lymphoblastic leukemia: bridging genomics, metabolomics, and immunomics.

Acute B-lymphoblastic leukemia (B-ALL) is a highly heterogeneous hematologic malignancy, characterized by significant molecular differences among patients as the disease progresses. While the PI3K-Akt signaling pathway and metabolic reprogramming are known to play crucial roles in B-ALL, the interactions between lipid metabolism, immune pathways, and drug resistance remain unclear. In this study, we performed multi-omics analysis on different patient cohorts (newly diagnosed, relapsed, standard-risk, and poor-risk) to investigate the molecular characteristics associated with metabolism, signaling pathways, and immune regulation in B-ALL.

Foliar application of nano biochar solution elevates tomato productivity by counteracting the effect of salt stress insights into morphological physiological and biochemical indices.

Nano-biochar considers a versatile and valuable sorbent to enhance plant productivity by improving soil environment and emerged as a novel solution for environmental remediation and sustainable agriculture in modern era. In this study, roles of foliar applied nanobiochar colloidal solution (NBS) on salt stressed tomato plants were investigated. For this purpose, NBS was applied (0%, 1% 3% and 5%) on two groups of plants (control 0 mM and salt stress 60 mM).

Finding a needle in a haystack: functional screening for novel targets in cancer immunology and immunotherapies.

Genome-wide functional genetic screening has been widely used in the biomedicine field, which makes it possible to find a needle in a haystack at the genetic level. In cancer research, gene mutations are closely related to tumor development, metastasis, and recurrence, and the use of state-of-the-art powerful screening technologies, such as clustered regularly interspaced short palindromic repeat (CRISPR), to search for the most critical genes or coding products provides us with a new possibility to further refine the cancer mapping and provide new possibilities for the treatment of cancer patients. The use of CRISPR screening for the most critical genes or coding products has further refined the cancer atlas and provided new possibilities for the treatment of cancer patients.

Rubber intercropping with arboreal and herbaceous species alleviated the global warming potential through the reduction of soil greenhouse gas emissions.

Agroforestry systems are known to enhance soil health and climate resilience, but their impact on greenhouse gas (GHG) emissions in rubber-based agroforestry systems across diverse configurations is not fully understood. Here, six representative rubber-based agroforestry systems (encompassing rubber trees intercropped with arboreal, shrub, and herbaceous species) were selected based on a preliminary investigation, including Hevea brasiliensis intercropping with Alpinia oxyphylla (AOM), Alpinia katsumadai (AKH), Coffea arabica (CAA), Theobroma cacao (TCA), Cinnamomum cassia (CCA), and Pandanus amaryllifolius (PAR), and a rubber monoculture as control (RM). Soil physicochemical properties, enzyme activities, and GHG emission characteristics were determined at 0-20 cm soil depth.

Using monitoring and simulation to analyze the failure characteristics of multizone landslides controlled by faults: a case study.

Slopes influenced by multiple faults are prone to large-scale landslides triggered by multi-regional failures. Understanding the failure process and sequence is essential for the sustainable development of mining operations. This paper presents a method combining InSAR monitoring and numerical simulation to analyze the failure processes of slopes affected by multiple faults.

Atomically thin high-entropy oxides via naked metal ion self-assembly for proton exchange membrane electrolysis.

Designing efficient Ruthenium-based catalysts as practical anodes is of critical importance in proton exchange membrane water electrolysis. Here, we develop a self-assembly technique to synthesize 1 nm-thick rutile-structured high-entropy oxides (RuIrFeCoCrO) from naked metal ions assembly and oxidation at air-molten salt interface. The RuIrFeCoCrO requires an overpotential of 185 mV at 10 m A cm and maintains the high activity for over 1000 h in an acidic electrolyte via the adsorption evolution mechanism.

Cathodic tandem alkylation/dearomatization of heterocycles enabled by Al-facilitated carbonyl deoxygenation.

Developing efficient strategies for the deoxygenative functionalization of carbonyl compounds is crucial for enhancing the effective utilization of biomass and the upgrading of chemical feedstocks. In this study, we present an elegant cathodic reduction strategy that enables a tandem alkylation/dearomatization reaction between quinoline derivatives and aryl aldehydes/ketones in a one-pot process. Our approach can be executed via two distinct paths: the aluminum (Al)-facilitated spin-center shift (SCS) path and the Al-facilitated direct deoxygenation path.

[Solid, endometrial-like and transitional growth patterns of ovarian high-grade serous carcinoma: a clinicopathological analysis of 25 cases].

To investigate the clinicopathological characteristics of solid, endometrial-like and transitional (SET) cell growth subtype in high-grade serous ovarian carcinoma (HGSC). Clinical data of 25 cases of HGSC-SET were collected from January 2020 to March 2024 at the Affiliated Suzhou Hospital of Nanjing Medical University, and their histological features were analyzed. Immunohistochemical stains were used to analyze the expression of ER, PR, PAX8, WT-1, p16, p53 and Ki-67.

Research progress in the etiology and minimally invasive therapy of hallux valgus.

Hallux valgus (HV) is the most common foot deformity. It has various pathogenic factors that make its pathogenesis challenging to understand. As the disease progresses, patients experience amplified pain and decreased activities, significantly affecting their quality of life.

Carbon-supported Fe single atom nanozymes with long-lasting ROS generation and high NIR photothermal performance for synergistic cancer therapy.

Synergistic therapy combining photothermal therapy (PTT) and chemodynamic therapy (CDT) has proven to be a highly effective strategy for cancer treatment. However, PTT heavily relies on the accumulation of therapeutic agents at the tumor site. The peroxidase (POD) activity of common catalysts can be rapidly exhausted during the accumulation process, prior to laser intervention, thereby diminishing the synergistic enhancement effect of the combined therapy.

Microstructural white matter injury contributes to cognitive decline: Besides amyloid and tau.

Background: Cognitive decline and the progression to Alzheimer's disease (AD) are traditionally associated with amyloid-beta (Aβ) and tau pathologies. This study aims to evaluate the relationships between microstructural white matter injury, cognitive decline and AD core biomarkers.

Methods: We conducted a longitudinal study of 566 participants using peak width of skeletonized mean diffusivity (PSMD) to quantify microstructural white matter injury.

Cerebral perfusion correlates with amyloid deposition in patients with mild cognitive impairment due to Alzheimer's disease.

Background: Changes in cerebral blood flow (CBF) may contribute to the initial stages of the pathophysiological process in patients with Alzheimer's disease (AD). Hypoperfusion has been observed in several brain regions in patients with mild cognitive impairment (MCI). However, the clinical significance of CBF changes in the early stages of AD is currently unclear.

Acid triggering highly-efficient release of reactive oxygen species to block mitochondrial-mediated homeostasis maintenance for accelerating cell death.

A pivotal pathway of photodynamic therapy (PDT) is to prompt mitochondrial damage by reactive oxygen species (ROS) generation, thus leading to cancer cell apoptosis. However, mitochondrial autophagy is induced during such a PDT process, which is a protective mechanism for cancer cell homeostasis, resulting in undermined therapeutic efficacy. Herein, we report a series of meticulously designed donor (D)-π-acceptor (A) photosensitizers (PSs), characterized by the strategic modulation of thiophene π-bridges, which exhibit unparalleled mitochondrial targeting proficiency.

Ratiometric fluorescent aptasensor based on DNA-gated FeO@Uio-66-NH and Exo I-assisted signal amplification.

Background: Ochratoxin A (OTA) is toxic secondary metabolites produced by fungi and can pose a serious threat to food safety and human health. Due to the high stability and toxicity, OTA contamination in agricultural products is of great concern. Therefore, the development of a highly sensitive and reliable OTA detection method is crucial to ensure food safety.

Lab on a single microbead: An enzyme-free strategy for the sensitive detection of microRNA via efficient localized catalytic hairpin assembly.

Background: Accurate quantification of microRNA (miRNA) is of great significance because it provides opportunities for the accurate early diagnosis of a series of human diseases including cancers. Currently, complicated nucleic acid amplification technologies are always required for the highly sensitive miRNA detection. The introduction of nucleic acid signal amplification coupled with various enzymes will inevitably lead to tedious work and increase the complexity of the analysis process.

An ultrasensitive ECL immunosensor with a dual signal amplification strategy using AuNPs@GO@SmMoSe and Gd(MoO) for estriol detection.

Background: Estriol (E3) is a common estrogen responsible for regulating the female reproductive system, but excessive amount can pose health risks to humans and wild life. Therefore, sensitive and accurate detection of estriol level is crucial. A novel competitive ECL immunosensor based on a dual signal amplification strategy of AuNPs@GO@SmMoSe and Gd(MoO) was fabricated for ultrasensitive detection of estriol.

Expression and characterization of the complete cyanophage genome PP in the heterologous host Synechococcus elongatus PCC 7942.

In this study, we successfully integrated the full-length genome of the cyanophage PP into the non-host cyanobacterium Synechococcus elongatus PCC 7942, facilitated by conjugation via Escherichia coli. To address the challenge posed by the toxic open reading frames (ORFs) of PP in E. coli, we first identified and characterized three toxic ORFs.