Prediction of Water Distributions and Displacement at Protein-Ligand Interfaces.

The retention and displacement of water molecules during formation of ligand-protein interfaces play a major role in determining ligand binding. Understanding these effects requires a method for positioning of water molecules in the bound and unbound proteins and for defining water displacement upon ligand binding. We describe an algorithm for water placement and a calculation of ligand-driven water displacement in >9000 protein-ligand complexes.

Bacteria Associated With and Their Influence on Colony Formation.

() is one of the dominant algae during harmful algal blooms (HABs) in coastal regions of Southern China. exhibits complex heteromorphic life cycles that could switch between solitary cells and colonies. The ecological success of has been attributed to its colony formation, although underlying mechanisms remain unknown.

Prevalence and risk factors for incidental prostate cancer in patients after transurethral resection of the prostate with negative results on prostate biopsy: A retrospective study.

Purpose: This study aimed to explore the prevalence and predictors of incidental prostate cancer (IPC) after transurethral resection of the prostate (TURP) with negative results on transperineal magnetic resonance imaging (MRI)/transrectal ultrasonography (TRUS) fusion prostate biopsy or TRUS-guided prostate biopsy.

Materials And Methods: Data of 253 patients who underwent TURP with a preliminary diagnosis of benign prostatic hyperplasia (BPH) were evaluated. The prevalence of IPC was calculated.

High-content analysis of microRNAs involved in the phenotype regulation of vascular smooth muscle cells.

In response to vascular injury vascular smooth muscle cells (VSMCs) alternate between a differentiated (contractile) and a dedifferentiated (synthetic) state or phenotype. Although parts of the signaling cascade regulating the phenotypic switch have been described, the role of miRNAs is still incompletely understood. To systematically address this issue, we have established a microscopy-based quantitative assay and identified 23 miRNAs that induced contractile phenotypes when over-expressed.

Lithium-Diffusion Induced Capacity Losses in Lithium-Based Batteries.

Rechargeable lithium-based batteries generally exhibit gradual capacity losses resulting in decreasing energy and power densities. For negative electrode materials, the capacity losses are largely attributed to the formation of a solid electrolyte interphase layer and volume expansion effects. For positive electrode materials, the capacity losses are, instead, mainly ascribed to structural changes and metal ion dissolution.

Prevalence and risk factors of incidental prostate cancer in certain surgeries for benign prostatic hyperplasia: A systematic review and meta-analysis.

Background: This study aimed to explore the prevalence and clinical risk factors in patients diagnosed with incidental prostate cancer (IPC) during certain surgeries (transurethral resection of the prostate [TURP], open prostatectomy [OP], and holmium laser enucleation of the prostate [HoLEP]) after clinically suspected benign prostatic hyperplasia (BPH).

Materials And Methods: Literature search of the MEDILINE, Web of Science, Embase, and Cochrane Library databases was performed to identify eligible studies published before June 2021. Multivariate adjusted odds ratios (ORs) and associated 95% confidence intervals (CIs) of the prevalence and clinical risk factors of IPC were calculated using random or fixed-effect models.

Sustainable Phytic Acid-Zinc Anticorrosion Interface for Highly Reversible Zinc Metal Anodes.

Although aqueous zinc-ion batteries (AZIBs) promise high capacity, low cost, and environmental friendliness, the Zn metal anode suffers from limited reversibility and unsatisfied lifespan arising from severe dendritic growth and inevitable interfacial corrosion. In this regard, constructing the artificial protective interfacial layer on the Zn metal foil has been recognized as an effective strategy to realize durable AZIBs. Inspired by the phytic acid (PA) anticorrosion conversion coating layer for industrial metal protection, herein, we designed a dense and conformal PA-Zn complex layer on the Zn anodes through a feasible, rapid wet-chemistry chelating reaction.

Surgery and Radioactive Iodine Therapeutic Strategy for Patients Greater Than 60 Years of Age with Differentiated Thyroid Cancer.

The purpose of the current study was to determine whether older patients with differentiated thyroid cancer (DTC) who received surgical treatment had a better cause-specific survival (CSS) than patients who were recommended surgery, but declined, and whether patients who underwent postoperative RAI-131 therapy had an impact on CSS based on TNM staging and number of lymph node metastases for all total or near-total thyroidectomy patients. : This retrospective, population-based study analyzed the clinical data of 162 DTC patients from signal institution in China and 26,487 cases from the Surveillance, Epidemiology, and End Results (SEER) program registry. The patients were divided into two groups (underwent surgery and surgery recommended, but not performed) in the SEER cohort.

Comparisons of efficacy and complications between transrectal and transperineal prostate biopsy with or without antibiotic prophylaxis.

Background And Purpose: We aimed to determine the cancer detection rate and complications of transrectal prostate biopsy (TRBx) and transperineal prostate biopsy (TPBx) in the hospital. However, given the use of antibiotic prophylaxis in TPBx remains controversial according to the current guidelines, we also investigated the safety and side effects of TPBx with and without antibiotic prophylaxis.

Materials And Methods: A total of 777 patients who underwent prostate biopsy were enrolled in this study in accordance with the criteria.

Daidzein suppresses TGF-β1-induced cardiac fibroblast activation via the TGF-β1/SMAD2/3 signaling pathway.

Myocardial fibrosis is a concomitant bioprocess associated with many cardiovascular diseases (CVDs). Daidzein is an isoflavone that has been used for the treatment of CVDs. This study aimed to reveal its role in myocardial fibrosis.

Flexible conductive silk-PPy hydrogel toward wearable electronic strain sensors.

Conductive hydrogels have been studied as promising materials for the flexible and wearable bioelectronics, because of their unique electrical and mechanical properties. Addition of conducting polymers in biomaterial-based hydrogel matrix is a simple yet effective way to construct hydrogels with good conductivity and flexibility. In this work, a conductive hydrogel composed by a silk hydrogel and a conducting polymer, polypyrrole (PPy), is developed viapolymerization of pyrrole into the silk fibroin network.

Flexible conductive silk-PPy hydrogel toward wearable electronic strain sensors.

Conductive hydrogels have been studied as promising materials for the flexible and wearable bioelectronics, because of their unique electrical and mechanical properties. Addition of conducting polymers in biomaterial-based hydrogel matrix is a simple yet effective way to construct hydrogels with good conductivity and flexibility. In this work, a conductive hydrogel composed by a silk hydrogel and a conducting polymer, polypyrrole (PPy), is developed via in-situ polymerization of pyrrole into the silk fibroin network.

JNK-dependent phosphorylation and nuclear translocation of EGR-1 promotes cardiomyocyte apoptosis.

Myocardial apoptosis induced by myocardial ischemia and hyperlipemia are the main causes of high mortality of cardiovascular diseases. It is not clear whether there is a common mechanism responsible for these two kinds of cardiomyocyte apoptosis. Previous studies demonstrated that early growth response protein 1 (EGR-1) has a pro-apoptotic effect on cardiomyocytes under various stress conditions.

Responses of environmental and soil enzyme stoichiometric characteristics of wheat cropping system to fertilizer management in rain-fed areas of China.

The application of organic fertilizer can improve soil fertility and maintain soil biodiversity. Soil enzyme activity can reflect the relationship between microbial nutrient demand and environmental nutrient availability. The experiment was established with a split-plot design, which included two main plots and two subplots.

Soil surface management of legume cover has the potential to mitigate nitrous oxide emissions from the fallow season during wheat production.

Soil surface management, i.e., mulch by film, straw or cover crop, is very important to water availability in soil on drylands worldwide, especially during the fallow season, when there is a high concentration of soil nitrate nitrogen (N) to produce nitrous oxide (NO).

Simultaneous Right Ventricle End-diastolic and End-systolic Frame Identification and Landmark Detection on Echocardiography.

End-diastolic (ED) and end-systolic (ES) frame identification and landmark detection are crucial steps of estimating right ventricle function in clinic practice. However, the complex morphology of the right ventricle and low-quality echocardiography pose challenges to these tasks. This study proposes a multi-task learning (MTL) framework to simultaneously identify the right ventricle ED and ES frames and detect anatomical landmarks for echocardiography.

Analysis of Factors Associated With Depression in Community-Dwelling Older Adults in Wuhan, China.

This study aimed to identify the independent factors associated with depression in community-dwelling older adults in Wuhan, China. Four hundred and seventy older adults (aged ≥65 years) from four communities dwelling on Junshan Street in Wuhan, China were included in this study. Participants completed a questionnaire that asked questions pertaining to age, gender, educational level, income, living situation, care situation, social support, and social engagement.

Extracellular Vesicles Derived from Adipose-Derived Stem Cells Accelerate Diabetic Wound Healing by Suppressing the Expression of Matrix Metalloproteinase-9.

Background: The healing of diabetic wounds is poor due to a collagen deposition disorder. Matrix metalloproteinase-9 (MMP-9) is closely related to collagen deposition in the process of tissue repair. Many studies have demonstrated that extracellular vesicles derived from adipose-derived stem cells (ADSC-EVs) promote diabetic wound healing by enhancing collagen deposition.

Rylene-Fullerene Hybrid an Emerging Electron Acceptor for High-Performing and Photothermal-Stable Ternary Solar Cells.

Molecular carbon imides, especially extended perylene diimides (PDIs) have been the best wide-band-gap nonfullerene acceptors. Despite their excellent photothermal/chemical stability, flexible reaction sites, and unique photoelectronic properties, there is still a lack of fundamental understanding of their molecular characteristics as a third component. Here, generations of PDIs with distinctive molecular architecture, are deliberately screened out as the third component to PM6:Y6.

Heavy-Atom-Free Room-Temperature Phosphorescent Rylene Imide for High-Performing Organic Photovoltaics.

Organic phosphorescence, originating from triplet excitons, has potential for the development of new generation of organic optoelectronic materials. Herein, two heavy-atom-free room-temperature phosphorescent (RTP) electron acceptors with inherent long lifetime triplet exctions are first reported. These two 3D-fully conjugated rigid perylene imide (PDI) multimers, as the best nonfullerene wide-bandgap electron acceptors, exhibit a significantly elevated T of ≈2.

Native Atomic Defects Manipulation for Enhancing the Electronic Transport Properties of Epitaxial SnTe Films.

P-type SnTe-based compounds have attracted extensive attention because of their high thermoelectric performance. Previous studies have made tremendous efforts to investigate native atomic defects in SnTe-based compounds, but there has been no direct experimental evidence so far. On the basis of MBE, STM, ARPES, DFT calculations, and transport measurements, this work directly visualizes the dominant native atomic defects and clarifies an alternative optimization mechanism of electronic transport properties via defect engineering in epitaxially grown SnTe (111) films.

syn/anti-Oligothienoacene Diimides with up to 10 Fused Rings.

We report a facile and powerful strategy to prepare libraries of oligothienoacene diimides that include anti- and syn-isomers using palladium-catalyzed C-H activation and an unexpected 1,2-sulfur migration. Through this strategy, a series of oligothienoacene diimides containing 6, 8, and 10 fused rings were synthesized. The molecular geometry and extent of π-conjugation have dramatic effects on the electronic properties, degree of crystallinity, and charge-carrier transport properties.