STNGS: a deep scaffold learning-driven generation and screening framework for discovering potential novel psychoactive substances.

The supervision of novel psychoactive substances (NPSs) is a global problem, and the regulation of NPSs was heavily relied on identifying structural matches in established NPSs databases. However, violators could circumvent legal oversight by altering the side chain structure of recognized NPSs and the existing methods cannot overcome the inaccuracy and lag of supervision. In this study, we propose a scaffold and transformer-based NPS generation and Screening (STNGS) framework to systematically identify and evaluate potential NPSs.

A Calculation Method of Bearing Balls Rotational Vectors Based on Binocular Vision Three-Dimensional Coordinates Measurement.

The rotational speed vectors of the bearing balls affect their service life and running performance. Observing the actual rotational speed of the ball is a prerequisite for revealing its true motion law and conducting sliding behavior simulation analysis. To address the need for accuracy and real-time measurement of spin angular velocity, which is also under high-frequency and high-speed ball motion conditions, a new measurement method of ball rotation vectors based on a binocular vision system is proposed.

Transport of microplastics treated with dielectric barrier discharge (DBD) plasma in saturated porous media.

The performance of discharge plasma in treating organic pollutants and micro-organisms in water is impressive. When discharge plasma is used to treat polluted water containing organic pollutants and microorganisms, the presence of a certain amount of microplastics (MPs) in the water is unavoidable due to the complexity of the components contained in the water and the prevalence of MPs. MPs, as one of the pollutants that are difficult to be degraded by discharge plasma, undergo physical and chemical changes that increase their risk in the environment after treatment.

Methane Production Is More Sensitive to Temperature Increase than Aerobic and Anaerobic Methane Oxidation in Chinese Paddy Soils.

Methane emissions from paddy fields can increase under future warming scenarios. Nevertheless, a comprehensive comparison of the temperature sensitivity of methane-related microbial processes remains elusive. Here, we revealed that the temperature sensitivity of methane production (activation energy () = 0.

Neuroprotective effects of salvianolic acids combined with Panax notoginseng saponins in cerebral ischemia/reperfusion rats concerning the neurovascular unit and trophic coupling.

Background: The neurovascular unit (NVU) and neurovascular trophic coupling (NVTC) play a key regulatory role in brain injury caused by ischemic stroke. Salvianolic acids (SAL) and Panax notoginseng saponins (PNS) are widely used in China to manage ischemic stroke. Neuroprotective effects of SAL and PNS, either taken alone or in combination, were examined in this research.

Opposite effects of soil pH on bacteria and fungi β diversity in forests at a continental scale.

Soil microbial diversity is crucial for regulating biogeochemical cycles, including soil carbon (C) dynamics and nutrient cycling. However, how climate, plants, and soil properties influence the microbiome in forests remains unclear, especially at the continental scale, hindering us to better understand forest C-climate change feedback. Here, we investigated the spatial patterns of microbial diversity across China's forests and explored the controlling factors of microbial β diversity and network complexity.

Incidence of metabolic syndrome in patients with unilateral or bilateral staghorn renal stones and its impact on percutaneous nephrolithotomy outcomes.

Background: To evaluate the incidence of metabolic syndrome (MetS) in patients with unilateral and bilateral staghorn calculi (SC) and evaluate the impact on the outcome of percutaneous nephrolithotomy (PCNL).

Methods: The clinical data of patients who underwent PCNL for the treatment of SC between 2019 and 2022 were retrospectively reviewed. SC was divided into unilateral and bilateral.

LVPocket: integrated 3D global-local information to protein binding pockets prediction with transfer learning of protein structure classification.

Background: Previous deep learning methods for predicting protein binding pockets mainly employed 3D convolution, yet an abundance of convolution operations may lead the model to excessively prioritize local information, thus overlooking global information. Moreover, it is essential for us to account for the influence of diverse protein folding structural classes. Because proteins classified differently structurally exhibit varying biological functions, whereas those within the same structural class share similar functional attributes.

A transition from arbuscular to ectomycorrhizal forests halts soil carbon sequestration during subtropical forest rewilding.

Ecological succession and restoration rapidly promote multiple dimensions of ecosystem functions and mitigate global climate change. However, the factors governing the limited capacity to sequester soil organic carbon (SOC) in old forests are poorly understood. Ecological theory predicts that plants and microorganisms jointly evolve into a more mutualistic relationship to accelerate detritus decomposition and nutrient regeneration in old than young forests, likely explaining the changes in C sinks across forest succession or rewilding.

Acetylcytidine modification of Amotl1 by N-acetyltransferase 10 contributes to cardiac fibrotic expansion in mice after myocardial infarction.

Cardiac fibrosis is a pathological scarring process that impairs cardiac function. N-acetyltransferase 10 (Nat10) is recently identified as the key enzyme for the N4-acetylcytidine (ac4C) modification of mRNAs. In this study, we investigated the role of Nat10 in cardiac fibrosis following myocardial infarction (MI) and the related mechanisms.

Nobiletin enhances the antifungal activity of eugenol nanoemulsion against Penicillium italicum in both in vitro and in vivo settings.

The study prepared and used eugenol nanoemulsion loaded with nobiletin as fungistat to study its antifungal activity and potential mechanism of Penicillium italicum (P. italicum). The results showed that the minimum inhibitory concentration (MIC) of eugenol nanoemulsion loaded with nobiletin (EGN) was lower than that of pure eugenol nanoemulsion (EG), which were 160 μg/mL and 320 μg/mL, respectively.

Mycorrhizal associations relate to stable convergence in plant-microbial competition for nitrogen absorption under high nitrogen conditions.

Nitrogen (N) immobilization (Nim, including microbial N assimilation) and plant N uptake (PNU) are the two most important pathways of N retention in soils. The ratio of Nim to PNU (hereafter Nim:PNU ratio) generally reflects the degree of N limitation for plant growth in terrestrial ecosystems. However, the key factors driving the pattern of Nim:PNU ratio across global ecosystems remain unclear.

The synergistic effect of typical chiral organic acids and solution chemistry conditions on the transport of 2-arylpropionic acid chiral derivatives in porous media.

The hazards of man-made chiral compounds are of great public concern, with reports of worrying stereoselective compounds and an urgent need to assess their transport. This study evaluated the transport of 2-arylpropionic acid derivatives enantiomers (2-APA) in porous media under a variety of solution chemistry conditions via column packing assays. The results revealed the introduction of Malic acid (MA) enantiomers enhanced the mobility of 2-APA enantiomers, but the enhancement effect was different for different 2-APA enantiomers.

LRNAS: Differentiable Searching for Adversarially Robust Lightweight Neural Architecture.

The adversarial robustness is critical to deep neural networks (DNNs) in deployment. However, the improvement of adversarial robustness often requires compromising with the network size. Existing approaches to addressing this problem mainly focus on the combination of model compression and adversarial training.

DeepAEG: a model for predicting cancer drug response based on data enhancement and edge-collaborative update strategies.

Motivation: The prediction of cancer drug response is a challenging subject in modern personalized cancer therapy due to the uncertainty of drug efficacy and the heterogeneity of patients. It has been shown that the characteristics of the drug itself and the genomic characteristics of the patient can greatly influence the results of cancer drug response. Therefore, accurate, efficient, and comprehensive methods for drug feature extraction and genomics integration are crucial to improve the prediction accuracy.

N-Acetyltransferase 10 represses Uqcr11 and Uqcrb independently of ac4C modification to promote heart regeneration.

Translational control is crucial for protein production in various biological contexts. Here, we use Ribo-seq and RNA-seq to show that genes related to oxidative phosphorylation are translationally downregulated during heart regeneration. We find that Nat10 regulates the expression of Uqcr11 and Uqcrb mRNAs in mouse and human cardiomyocytes.

Knowledge Distillation Guided Interpretable Brain Subgraph Neural Networks for Brain Disorder Exploration.

The human brain is a highly complex neurological system that has been the subject of continuous exploration by scientists. With the help of modern neuroimaging techniques, there has been significant progress made in brain disorder analysis. There is an increasing interest about utilizing artificial intelligence techniques to improve the efficiency of disorder diagnosis in recent years.

Mycorrhizal mediation of soil carbon in permafrost regions depends on soil nutrient stoichiometry and physical protection.

Mycorrhizal associations are considered as one of the key drivers for soil carbon (C) accumulation and stability. However, how mycorrhizal associations influence soil organic C (SOC) and its fractions (i.e.

Soil nitrogen availability drives the response of soil microbial biomass to warming.

Although soil microbial biomass responses to experimental warming have been extensively studied, the mechanisms through which elevated temperatures influence soil microbial biomass remain unclear. In this study, we performed a global meta-analysis to quantify the global pattern of soil microbial biomass in response to warming. Our findings suggest that global warming effect is not apparent when all the data are pooled together, while warming does increase microbial biomass under specific conditions (Δ°C ≥ 2 °C).

Local Peaks Search Method for Solving Lamb Waves' Dispersion Equation of Laminated Structures and the Application.

To study the acoustic characteristics of sound scattered from laminated structures such as elastic plates and shells, it is usually required to solve the Lamb waves' dispersion equations. Many traditional root-finding methods such as bisection, the Newton-Raphson method, and the Muller method are not able to tackle the problem completely. A simple but powerful method named local peaks search (LPS) is proposed to overcome their drawbacks.

Cannabidiol represses miR-143 to promote cardiomyocyte proliferation and heart regeneration after myocardial infarction.

Mammalian heart is capable to regenerate almost completely early after birth through endogenous cardiomyocyte proliferation. However, this regenerative capacity diminishes gradually with growth and is nearly lost in adulthood. Cannabidiol (CBD) is a major component of cannabis and has various biological activities to regulate oxidative stress, fibrosis, inflammation, and cell death.

The relationship between central obesity and risk of breast cancer: a dose-response meta-analysis of 7,989,315 women.

Purpose: Central obesity may contribute to breast cancer (BC); however, there is no dose-response relationship. This meta-analysis examined the effects of central obesity on BC and their potential dose-response relationship.

Methods: In the present study, PubMed, Medline, Embase, and Web of Science were searched on 1 August 2022 for published articles.

Depletion of L-Methionine in Foods with an Engineered Thermophilic Methionine γ-lyase Efficiently Inhibits Tumor Growth.

Dietary restriction of l-methionine, an essential amino acid, exerts potent antitumor effects on l-methionine-dependent cancers. However, dietary restriction of l-methionine has not been practical for human therapy because of the problem with the administration of l-methionine concentration in foods. Here, a thermophilic methionine γ-lyase (MGL), that catalyzes the cleavage of the C-S bond in l-methionine to produce α-ketobutyric acid, methanethiol, and ammonia was engineered from human cystathionine γ-lyase and almost completely depleted l-methionine at 65 °C, a temperature that accelerates the volatilization of methanethiol and its oxidation products.