Membrane proteins play a crucial role in a variety of biological processes and are key targets for pharmaceutical development. Structural studies of membrane proteins provide molecular insights into the mechanisms of these processes and are essential for effective drug discovery. Historically, these studies have relied on solubilization of the target protein using detergents, but conventional detergents often fail to maintain the stability of challenging membrane proteins.
View Article and Find Full Text PDFJ Chem Phys
January 2025
While most thermostats in molecular dynamics are designed for equilibrium systems, their extension to non-equilibrium simulations has little theoretical justification. In the literature, an artifact referred to as "lane formation" was discovered; however, its cause remained unclear and was simply attributed to a constraint on velocity fluctuations or non-ergodicity in thermostats. In addition, global deterministic thermostatted dynamics was found to exhibit unceasing phase-space compression in steady states, incompatible with their expected stationary distributions and Gibbs entropy, which was mistakenly perceived as inescapable.
View Article and Find Full Text PDFIntroduction: The Sequential Organ Failure Assessment (SOFA) score is a widely utilized clinical tool for evaluating the severity of organ failure in critically ill patients and assessing their condition and prognosis in the intensive care unit (ICU). Research has demonstrated that higher SOFA scores are associated with poorer outcomes in these patients. However, the predictive value of the SOFA score for acute kidney injury (AKI), a common complication of diabetic ketoacidosis (DKA), remains uncertain.
View Article and Find Full Text PDFBackground: Limited research exists on colorectal cancer (CRC) patients with bladder invasion, with survival outcomes post-cystectomy underexplored and a debate between partial and total cystectomy ongoing.
Objective: The study aimed to evaluate the effect of pathological bladder invasion on the long-term tumour prognosis of patients with clinically diagnosed bladder invasion in CRC after cystectomy.
Design: Retrospective, cohort study.
Organic photovoltaic materials that can be processed via non-halogenated solvents are crucial for the large-area manufacturing of organic solar cells (OSCs). However, the limited available of electron acceptors with adequate solubility and favorable molecular packing presents a challenge in achieving efficient non-halogenated solvent-processed OSCs. Herein, inspired by the three-dimensional dimeric acceptor CH8-4, we employed a molecular isomerization strategy to synthesize its isomers, CH8-4A and CH8-4B, by tuning the position of fluorine (F) atom in the central unit.
View Article and Find Full Text PDFLow temperature generally restricts biological activity, slowing down electron transfer in biogeochemical cycles and causing a series of environmental problems such as nitrogen pollution. We present a strategy to boost electron transfer in microbial cell at low temperatures via stimulation with low current. It is demonstrated by establishing a constructed wetland system coupled with solar powered microbial electrolysis cell, which enhances microbial activity through external micro currents (18.
View Article and Find Full Text PDFBackground: Colorectal cancer is the third-most common type of cancer. When peritoneal metastasis (PM) develops, diagnosing metastatic lesions is difficult and the prognosis is poor. This study aimed to compare the value of fluorine-18 fibroblast activation protein-specific inhibitor (F-FAPI-42) and fluorine-18 fluorodeoxyglucose (F-FDG) positron emission tomography/computed tomography (PET/CT) for detecting PM of colorectal cancer and to guide clinical decision-making.
View Article and Find Full Text PDFBackground: While acute myocardial infarction (AMI) is widely recognized as the primary cause of Cardiogenic Shock (CS), Non-AMI related CS has been excluded from the majority of CS studies. Information on its prognostic factors remains largely understudied, and it is necessary to focus on these patients to identify the specific risk factors. In this study, we aimed to build and validate a predictive nomogram and risk classification system.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Piezocatalysis portrays a promising alternative for producing hydrogen (H) and hydrogen peroxide (HO) in a clean and safe way, but the simultaneous enhancement of both properties remains challenging. In this study, a BiFeO-based bifunctional piezocatalytic strategy via Sm doping and g-CN compositing (BiSmFeO/g-CN) was proposed for efficient simultaneous H and HO production. Benefiting from the synergistic effect between the optimized energy band structure and piezo-generated charges, the performances of hydrogen evolution reaction (HER) and water oxidation reaction (WOR) are both enhanced remarkably.
View Article and Find Full Text PDFThe avirulence (AVR) genes of Magnaporthe oryzae are pivotal in eliciting resistance responses in rice, which are mediated by resistance (R) genes in rice. Monitoring the variation of AVR genes in the pathogen is essential for strategically deploying R genes in rice cultivation regions. In this study, a total of 214 isolates were collected from Jiangxi Province, China, in 2022, and the distribution and variation of AVR genes in these isolates were analyzed by PCR amplification and sequencing.
View Article and Find Full Text PDFIntroduction: The majority of liver cancer cases (90%) are attributed to hepatocellular carcinoma (HCC), which exhibits significant heterogeneity and an unfavorable prognosis. Modulating the immune response and metabolic processes play a crucial role in both the prevention and treatment of HCC. However, there is still a lack of comprehensive understanding regarding the immune-related metabolic genes that can accurately reflect the prognosis of HCC.
View Article and Find Full Text PDFFast and accurate determination of persistent organic pollutants (POPs) plays a crucial role in addressing concerns related to public security and environmental safety. Herein, a unique thin film based solid phase microextraction (denoted as TF-SPME) method was reported and used for on-site analysis of POPs via loading the TFs into a homemade sampling device and equipped on a drone, which can load up to 6 pieces of TFs at the same time. The parallel 6 pieces of TFs offered significant advantages in terms of efficiency, accuracy, cost-effectiveness and comparability of sampling.
View Article and Find Full Text PDFBackground: Hepatic arterial infusion (HAI) is an established treatment for patients with unresectable colorectal liver metastases (uCRLM). Until recently, HAI was only performed at a limited number of centers. We previously reported early outcomes suggesting that implementation of a new HAI program is safe and feasible.
View Article and Find Full Text PDFBackground: Mesenchymal epithelial transition factor (MET) variant is an independent prognostic factor for worse prognosis in patients with lung cancer or gastroesophageal adenocarcinoma. MET gene variants can be regarded as a subtype of melanoma but there is a lack of studies regarding the frequency of MET genetic alterations and the efficacy of immunotherapy in melanoma patients. The purpose of this study is to explore potential therapeutic strategies for melanoma subtypes with MET alterations.
View Article and Find Full Text PDFPurpose: To explore the impact of minimally invasive circumferential resection on inflammatory response and alveolar crest resorption in patients with dental defect implantation.
Methods: A total of 198 patients who received dental implantation in Lishui Hospital of Traditional Chinese Medicine from June 2021 to June 2023 were selected and divided into minimally invasive group (n=100) and traditional group (n=98) according to treatment methods. Minimally invasive surgery was performed in the minimally invasive group and traditional flap surgery was performed in the traditional group.
Background: Autosomal Dominant Polycystic Kidney Disease (ADPKD) is a prevalent genetic disorder characterized by the formation of renal cysts leading to kidney failure. Despite known genetic underpinnings, the variability in disease progression suggests additional regulatory layers, including epigenetic modifications.
Methods: We utilized various ADPKD models, including Pkd1 and Ezh2 conditional knockout (Pkd1:Ezh2) mice, to explore the role of Enhancer of Zeste Homolog 2 (EZH2) in cystogenesis.
A stable and robust odometry system is essential for autonomous robot navigation. The 4D millimeter-wave radar, known for its resilience in harsh weather conditions, has attracted considerable attention. As the latest generation of FMCW radar, 4D millimeter-wave radar provides point clouds with both position and Doppler velocity information.
View Article and Find Full Text PDFNumerous plant taxa are threatened by habitat destruction or overexploitation. To overcome these threats, new methods are urgently needed for rescuing threatened and endangered plant species. Here, we review the genetic consequences of threats to species populations.
View Article and Find Full Text PDFLocalized surface plasmon resonances in plasmonic nanoparticles enable effective photon harvesting and generate energetic electrons and holes. However, fast charge recombination and surface contamination due to reactant-involved synthesis can significantly hinder the activity. Herein, we report a facile, solution-processed synthesis of hybrid uncoated silver nanoparticles combined with silicon nanocrystals to address these issues.
View Article and Find Full Text PDFVolatile organic compounds (VOCs) are considered to be the most recalcitrant gaseous pollutants due to their high toxicity, diversity, complexity, and stability. Gas-solid catalytic oxidation methods have been intensively studied for VOC treatment while being greatly hampered by energy consumption, catalyst deactivation, and byproduct formation. Recently, aqueous advanced oxidation processes (AOPs) have attracted increasing interest for the deep oxidation of VOCs at room temperature, owing to the generation of abundant reactive oxygen species (ROS).
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