SuperMetal: a generative AI framework for rapid and precise metal ion location prediction in proteins.

Metal ions, as abundant and vital cofactors in numerous proteins, are crucial for enzymatic activities and protein interactions. Given their pivotal role and catalytic efficiency, accurately and efficiently identifying metal-binding sites is fundamental to elucidating their biological functions and has significant implications for protein engineering and drug discovery. To address this challenge, we present SuperMetal, a generative AI framework that leverages a score-based diffusion model coupled with a confidence model to predict metal-binding sites in proteins with high precision and efficiency.

Carbapenem-resistant Klebsiella pneumoniae gut colonization and subsequent infection in pediatric intensive care units in shanghai, China.

Background: It has been revealed that carbapenem-resistant Klebsiella pneumoniae (CRKP) colonization is closely associated with subsequent clinical infections. This study aimed to investigate the resistance and epidemiology of CRKP isolated from anal swabs and subsequent clinical infection specimens in two pediatric intensive care unit (ICU) departments. Clinical characteristics were analyzed to identify the risk factors of CRKP infection.

Case report: Analysis of the efficacy and safety of anti-infectious treatment for brain abscess caused by oral anaerobes.

Anaerobic meningitis is relatively rare, and the positivity rate of cerebrospinal fluid (CSF) cultures is exceedingly low, particularly in light of the limited research data regarding bacterial meningitis caused by oral anaerobes. This report presents a case involving a 24-year-old woman who developed fever and headache 32 days after undergoing a cesarean section. The symptoms persisted for 2 weeks, and enhanced nuclear magnetic resonance (NMR) scanning confirmed the suspicion of a brain abscess.

SuperMetal: A Generative AI Framework for Rapid and Precise Metal Ion Location Prediction in Proteins.

Metal ions, as abundant and vital cofactors in numerous proteins, are crucial for enzymatic activities and protein interactions. Given their pivotal role and catalytic efficiency, accurately and efficiently identifying metal-binding sites is fundamental to elucidating their biological functions and has significant implications for protein engineering and drug discovery. To address this challenge, we present SuperMetal, a generative AI framework that leverages a score-based diffusion model coupled with a confidence model to predict metal-binding sites in proteins with high precision and efficiency.

[Construction of a human anti-SARS-CoV-2 scFv library and identification of broad-spectrum neutralizing antibodies].

Objective To construct a library of human-derived anti-severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) single-chain variable fragments (scFv) and screen for broad-spectrum neutralizing antibodies to identify candidate molecules for the development of diagnostic and therapeutic agents. Methods Peripheral blood mononuclear cells (PBMCs) were isolated from the peripheral blood of patients who had recovered from novel coronavirus infection. Total RNA was extracted from these PBMCs and reverse transcribed into cDNA, which was used as a template for constructing a human anti-SARS-CoV-2 scFv library.

Antibody-based surface plasmon resonance sensor platform for monitoring amikacin drug concentrations in human serum samples.

Amikacin (AMK) is a semisynthetic antibiotic used in the treatment of gram-negative bacterial infections and has a narrow therapeutic index. Individualized treatment of amikacin under the guidance of therapeutic drug monitoring (TDM) is important to reduce the occurrence of toxicity and improve clinical efficacy. Current TDM techniques for AMK, such as chromatographic technology and immunoassay, are conducted in central labs using specialized equipment.

RSK1 is an exploitable dependency in myeloproliferative neoplasms and secondary acute myeloid leukemia.

Myeloid malignancies are heterogenous disorders characterized by distinct molecular drivers but share convergence of oncogenic signaling pathways and propagation by ripe pro-inflammatory niches. Here, we establish a comprehensive transcriptional atlas across the spectrum of myeloproliferative neoplasms (MPN) and secondary acute myeloid leukemia (sAML) through RNA-sequencing of 158 primary samples encompassing CD34+ hematopoietic stem/progenitor cells and CD14+ monocytes. Supported by mass cytometry (CyTOF) profiling, we reveal aberrant networks of PI3K/AKT/mTOR signalling and NFκB-mediated hyper-inflammation.

Foxa1 disruption enhances human cell integration in human-mouse interspecies chimeras.

Blastocyst complementation can potentially generate a rodent model with humanized nasopharyngeal epithelium (NE) that supports sustained Epstein-Barr virus (EBV) infection, enabling comprehensive studies of EBV biology in nasopharyngeal carcinoma. However, during this process, the specific gene knockouts required to establish a developmental niche for NE remain unclear. We performed bioinformatics analyses and generated Foxa1 mutant mice to confirm that Foxa1 disruption could potentially create a developmental niche for NE.

Synergic Cellulose Nanofiber/Tourmaline Nanoparticle-Assembled Layered Piezoelectric Cryogels for High-Performance Airborne Particulate Filtration.

Here, hybrid stimuli-responsive (exhibiting pyroelectricity and piezoelectricity) porous cryogels are engineered by embedding tourmaline nanoparticles (TNs) in a cellulose nanofiber (CNF) skeleton to generate high-performance CNF-TN-based airborne particulate matter (PM) filters. First, single-layer hybrid cryogels with varying TN contents (0-5% w v) are assembled, and the design principles for multilayered filters are established based on a novel sequential pre-freezing and freeze-drying technique. As observed, the embedded TNs transformed the CNF network into a more homogeneous, isotropic, and firm structure, thus improving the structural integrity and thermal stability of the assembled cryogels while maintaining their ultrahigh porosity and low density.

Study of Serum Metabolic Biomarkers and Prediction Models of Cantharidin-Induced Nephrotoxicity in Rats Based on Dynamic Metabolomics.

The clinical application of cantharidin (CTD) is seriously limited due to its nephrotoxicity. Therefore, this study aims to investigate sensitive biomarkers for the evaluation and prediction of nephrotoxicity induced by CTD in rat. A total of 80 rats were randomly divided into four groups: control group and three doses of CTD groups.

Tumour evolution and microenvironment interactions in 2D and 3D space.

To study the spatial interactions among cancer and non-cancer cells, we here examined a cohort of 131 tumour sections from 78 cases across 6 cancer types by Visium spatial transcriptomics (ST). This was combined with 48 matched single-nucleus RNA sequencing samples and 22 matched co-detection by indexing (CODEX) samples. To describe tumour structures and habitats, we defined 'tumour microregions' as spatially distinct cancer cell clusters separated by stromal components.

Carbon footprints: Uncovering spatiotemporal dynamics of global container ship emissions during 2015-2021.

The proposed "peak carbon" and "carbon neutral" targets have catapulted the reduction of carbon dioxide (CO) emissions in the shipping industry into a global focal point. Given their pivotal role in global trade, the worldwide movements of container ships provide insights for decision-making in maritime shipping CO emission mitigation. This paper employs Automatic Identification System (AIS) trajectory data from 2015 to 2021 to estimate the global carbon emissions of container shipping through a bottom-up methodology, allocating emissions on a 1° × 1° grid.

Efficacy and Safety Factors Related to Plasma Concentration-Optimized Polymyxin B Therapy in Treating Carbapenem-Resistant Gram-Negative Bacterial Infections in China.

Background: Polymyxin B (PMB)-based combination therapies are used to treat severe carbapenem-resistant gram-negative bacterial (CR-GNB) infections. This observational study investigated the relationship between clinical factors, including PMB concentration, and clinical efficacy and safety.

Patients And Methods: Polymyxin B regimens were optimized through therapeutic drug monitoring (TDM) and area under the concentration-time curve (AUC).

Chromosome-level genome assembly of the two-spotted spider mite Tetranychus urticae.

The two-spotted spider mite, Tetranychus urticae Koch (Acari: Tetranychidae), is a notorious pest in agriculture that has developed resistance to almost all chemical types used for its control. Here, we assembled a chromosome-level genome for the TSSM using Illumina, Nanopore, and Hi-C sequencing technologies. The assembled contigs had a total length of 103.

DNA Barcoding Unveils New Species of the Sexually Dimorphic Genus Jurine (Hymenoptera, Dryinidae) from China.

Species of Jurine, 1807 are a large group of parasitoids attacking leafhoppers, which are important insect pests. Despite their great potential in pest biological control, the taxonomy and biology of these parasitoids are far from clear. Sexual dimorphism is extreme in species and has hampered the taxonomy of these parasitoids, resulting in many species described based on a single sex.

The 6-Month Antibody Durability of Heterologous Convidecia Plus CoronaVac and Homologous CoronaVac Immunizations in People Aged 18-59 Years and over 60 Years Based on Two Randomized Controlled Trials in China.

Previous reports have shown that heterologous boosting with the AD5-vectored COVID-19 vaccine Convidecia based on a primary series of two doses of inactivated vaccine induces increasing immune responses. However, the immune persistence until 6 months after the heterologous prime-boost immunization was limited. Participants were from two single-center, randomized, controlled, observer-blinded trials, which involved individuals of 18-59 years of age and over 60 years of age.

Epigenetic regulation during cancer transitions across 11 tumour types.

Chromatin accessibility is essential in regulating gene expression and cellular identity, and alterations in accessibility have been implicated in driving cancer initiation, progression and metastasis. Although the genetic contributions to oncogenic transitions have been investigated, epigenetic drivers remain less understood. Here we constructed a pan-cancer epigenetic and transcriptomic atlas using single-nucleus chromatin accessibility data (using single-nucleus assay for transposase-accessible chromatin) from 225 samples and matched single-cell or single-nucleus RNA-sequencing expression data from 206 samples.

Integrated metabolomics and network pharmacology revealing the mechanism of arsenic-induced hepatotoxicity in mice.

Endemic arsenic (As) poisoning is a severe biogeochemical disease that endangers human health. Epidemiological investigations and animal experiments have confirmed the damaging effects of As on the liver, but there is an urgent need to investigate the underlying mechanisms. This study adopted a metabolomic approach using UHPLC-QE/MS to identify the different metabolites and metabolic mechanisms associated with As-induced hepatotoxicity in mice.