Rational designing of ZIF-67-derived CoO nanocomposite with hierarchical porous structure and extensive peroxidase mimetic activities for highly sensitive colorimetric detection of nitrite in drinking water.

A simple, fast, and cost-effective colorimetric nitrite (NO) sensor based on ZIF-67-derived CoO nanocomposite (ZCo-2 NC) structure has been developed. The prepared colorimetric sensor (ZCo-2 NC) was employed to sensitively detect NO in drinking water system by the exhibition of promising peroxidase-mimicking nanozyme-like features. The sensor manifest well-determined sensing response with excellent linear and wide range of NO sensitivity (0.

Association of regular health check-ups with a reduction in mortality in 625,279 elderly participants with hypertension: A population-based cohort study.

Objectives: Health check-ups constitute an essential part of China's primary health care policy and a key measure for health screening and risk assessment for elderly people with hypertension and chronic diseases. The role of health check-ups in reducing the incidence of cardiovascular and all-cause mortality remains controversial. This study aimed to investigate the relationship between health check-ups and cardiovascular and all-cause mortality in elderly individuals with hypertension.

Drude2019IDPC polarizable force field reveals structure-function relationship of insulin.

Intrinsically disordered proteins (IDPs) lack stable tertiary structures under physiological conditions, yet play key roles in biological processes and associated with human complex diseases. Their conformational characteristics and high content of charged residues make the use of polarizable force fields an advantageous for simulating IDPs. The Drude2019IDP polarizable force field, previously introduced, has demonstrated comprehensive enhancements and improvements in dipeptides, short peptides, and IDPs, achieving a balanced sampling between IDPs and structured proteins.

Fabrication of Highly Sensitive and Selective Nitrite Colorimetric Sensor Based on the Enhanced Peroxidase Mimetic Activity of Using Acetic Acid Capped Zinc Oxide Nanosheets.

Nitrite ions (NO), as one of the leading type-A inorganic-anion, showing significant-effects in the aquatic environment and also to humans health. Whereas, the higher uptake causes detrimental threat to human health leading to various chronic diseases, thus demanding efficient, reliable and convenient method for its monitoring. For this purpose, in the present research study we have fabricated the mimetic nonozyme like catalyst based colorimetric nitrite sensor.

Map conformational landscapes of intrinsically disordered proteins with polymer physics quantities.

Disordered proteins are conformationally flexible proteins that are biologically important and have been implicated in devastating diseases such as Alzheimer's disease and cancer. Unlike stably folded structured proteins, disordered proteins sample a range of different conformations that needs to be accounted for. Here, we treat disordered proteins as polymer chains, and compute a dimensionless quantity called instantaneous shape ratio (R), as R = R/R, where R is end-to-end distance and R is radius of gyration.

Graphormer supervised de novo protein design method and function validation.

Protein design is central to nearly all protein engineering problems, as it can enable the creation of proteins with new biological functions, such as improving the catalytic efficiency of enzymes. One key facet of protein design, fixed-backbone protein sequence design, seeks to design new sequences that will conform to a prescribed protein backbone structure. Nonetheless, existing sequence design methods present limitations, such as low sequence diversity and shortcomings in experimental validation of the designed functional proteins.

Effect of Nitrogen on Growth and Optical Properties of Single-Crystal Diamond Synthesized by Chemical Vapor Deposition.

Concurrently achieving high growth rate and high quality in single-crystal diamonds (SCDs) is significantly challenging. The growth rate of SCDs synthesized by microwave plasma chemical vapor deposition (MPCVD) was enhanced by introducing N into the typical CH-H gas mixtures. The impact of nitrogen vacancy (NV) center concentration on growth rate, surface morphology, and lattice binding structure was investigated.

Rhodamine B for Probing the Effects of Modifications in Cetrimonium Bromide Counter-anions by Transition Metals on CTAB/Butanol/n-hexane/water Microemulsion.

Dye solubilization in microemulsion based on Cetyltrimethylammonium bromide (CTAB) and its modified forms (counter-anions based upon Zn, Cu and Fe) is comparatively innovative and not explored in existing literature. Here, surfactant with modified counterions (SMCs) were used to study the effects of metal chlorides (ZnCl, CuCl and FeCl) modifications on the comparative solubilization of Rhodamine-B (RB) by Cetyltrimethylammonium bromide (CTAB) and its modified forms. The solubility of RB in different microemulsions were studied using UV-Visible spectroscopy and phase diagrams of CTAB with modified counter ions CTA[ZnCl.

Comprehensive Comparison and Critical Assessment of RNA-Specific Force Fields.

Molecular dynamics simulations play a pivotal role in elucidating the dynamic behaviors of RNA structures, offering a valuable complement to traditional methods such as nuclear magnetic resonance or X-ray. Despite this, the current precision of RNA force fields lags behind that of protein force fields. In this work, we systematically compared the performance of four RNA force fields (, , , ) across diverse RNA structures.

A Revised Formation of Trace Ratio LDA for Small Sample Size Problem.

Linear discriminant analysis (LDA) is a classic tool for supervised dimensionality reduction. Because the projected samples can be classified effectively, LDA has been successfully applied in many applications. Among the variants of LDA, trace ratio LDA (TR-LDA) is a classic form due to its explicit meaning.

Phanto-IDP: compact model for precise intrinsically disordered protein backbone generation and enhanced sampling.

The biological function of proteins is determined not only by their static structures but also by the dynamic properties of their conformational ensembles. Numerous high-accuracy static structure prediction tools have been recently developed based on deep learning; however, there remains a lack of efficient and accurate methods for exploring protein dynamic conformations. Traditionally, studies concerning protein dynamics have relied on molecular dynamics (MD) simulations, which incur significant computational costs for all-atom precision and struggle to adequately sample conformational spaces with high energy barriers.

Synthesis and degradation of the cyclic dinucleotide messenger c-di-AMP in the hyperthermophilic archaeon Pyrococcus yayanosii.

Cyclic di-adenosine monophosphate (c-di-AMP) is a newly identified prokaryotic cyclic dinucleotide second messenger well elucidated in bacteria, while less studied in archaea. Here, we describe the enzymes involved in c-di-AMP metabolism in the hyperthermophilic archaeon Pyrococcus yayanosii. Our results demonstrate that c-di-AMP is synthesized from two molecules of ATP by diadenylate cyclase (DAC) and degraded into pApA and then to AMP by a DHH family phosphodiesterase (PDE).

Meta-Analysis of Single-Cell RNA-Seq Data Reveals the Mechanism of Formation and Heterogeneity of Tertiary Lymphoid Organ in Vascular Disease.

Background: Tertiary lymphoid organs (TLOs) are ectopic lymphoid organs developed in nonlymphoid tissues with chronic inflammation, but little is known about their existence in different types of vascular diseases and the mechanism that mediated their development.

Methods: To take advantage of single-cell RNA sequencing techniques, we integrated 28 single-cell RNA sequencing data sets containing 5 vascular disease models (atherosclerosis, abdominal aortic aneurysm, intimal hyperplasia, isograft, and allograft) to explore TLOs existence and environment supporting its growth systematically. We also searched Medline, Embase, PubMed, and Web of Science from inception to January 2022 for published histological images of vascular remodeling for histological evidence to support TLO genesis.

Sequence-based machine learning method for predicting the effects of phosphorylation on protein-protein interactions.

Protein phosphorylation, catalyzed by kinases, is an important biochemical process, which plays an essential role in multiple cell signaling pathways. Meanwhile, protein-protein interactions (PPI) constitute the signaling pathways. Abnormal phosphorylation status on protein can regulate protein functions through PPI to evoke severe diseases, such as Cancer and Alzheimer's disease.

Sparse Trace Ratio LDA for Supervised Feature Selection.

Classification is a fundamental task in the field of data mining. Unfortunately, high-dimensional data often degrade the performance of classification. To solve this problem, dimensionality reduction is usually adopted as an essential preprocessing technique, which can be divided into feature extraction and feature selection.

Research and Evaluation of the Allosteric Protein-Specific Force Field Based on a Pre-Training Deep Learning Model.

Allosteric modulators are important regulation elements that bind the allosteric site beyond the active site, leading to the changes in dynamic and/or thermodynamic properties of the protein. Allosteric modulators have been a considerable interest as potential drugs with high selectivity and safety. However, current experimental methods have limitations to identify allosteric sites.

New practice for investors in Chinese stock market: From perspective of fractionally integrated realized GARCH model.

In this paper, based on the Realized GARCH model, the fractional integration Realized GARCH model is proposed by combining long memory parameters with conditional variance and replacing the original realized measure with the realized measure obtained after daily, weekly and monthly weighting. Based on the 5-min high-frequency data of the SSE index, the fractional integration Realized GARCH model, Realized HAR GARCH model and Realized GARCH model are investigated for their fitting effect and predictive ability on market volatility, and Monte Carlo simulations are conducted from the error terms obeying normal distribution, t-distribution and chi-square distribution so as to compare the RMSE and MAE of the three types of models with respect to conditional variance. The empirical results show that the fractionally integrated Realized GARCH model is found to better capture the long-run correlation in volatility in certain intervals by comparing the theoretical and sample auto-correlation functions, while the overall predictive power of the model is better than the other two models.

Clinical characteristics and prognosis differences between isolated right and left ventricular myocardial infarction in the Chinese population: a retrospective study.

Background And Aims: Acute myocardial infarction (AMI) is divided into left ventricular myocardial infarction (LVMI) and right ventricular myocardial infarction (RVMI) according to the regions of myocardial ischemic necrosis. Clinical characteristics, treatment strategies, and prognosis differences between isolated RVMI and LVMI have not been well characterized. This study aimed to explore this difference of patients with isolated RVMI and LVMI.

Effects of alloying elements on diamond/Cu interface properties based on first-principles calculations.

Diamond/copper composites with high thermal conductivity and a variable thermal expansion coefficient are promising materials for thermal management applications. However, achieving the desired thermal conductivity of the composite material is difficult due to detachment or weak bonding between diamond and Cu. The interfacial properties of diamond/Cu composites can be improved using metal matrix alloying methods.

Power of Digital Economy to Drive Urban-Rural Integration: Intrinsic Mechanism and Spatial Effect, from Perspective of Multidimensional Integration.

The consensus that the digital economy drives urban-rural integration has been gradually reached both in practice and theory. Besides, the way by which the digital economy drives urban-rural integration remains updated iteratively. The coming period is an important opportunity to break down the dualistic urban-rural structure and improve the urban-rural integration development.

Base-specific RNA force field improving the dynamics conformation of nucleotide.

RNA plays a key role in numerous biological processes. Traditional experimental methods have difficulties capturing the structure and dynamic conformation of RNA. Thus, Molecular dynamic simulations (MDs) has become an essential complementary for RNA experiment.