Binding Mechanism of Inhibitors to CDK6 Deciphered by Multiple Independent Molecular Dynamics Simulations and Free Energy Predictions.

Cyclin-dependent kinase 6 (CDK6) has been identified as a potential drug target in various types of cancers. In our current study, multiple independent molecular dynamics simulations of four separate replicates and computations of binding free energies are carried out to decipher the binding mechanisms of three inhibitors, LQQ, 6ZV, and 0RS, to CDK6. The dynamic analyses indicate that the presence of inhibitors influences conformational alterations, motion modes, and the internal dynamics of CDK6.

Comparison of sterile normal saline and 1% povidone-iodine for vaginal preparation in vesicovaginal fistula: a randomised trial.

Background: Vaginal preparation before transvaginal gynecological surgeries improves the success rate. However, there is no consensus on which agent is superior for transvaginal repair of vesicovaginal fistula (VVF). We aimed to compare irritation symptoms and antimicrobial function between sterile normal saline (SS) and 1% povidone-iodine (PI) for vaginal preparation in surgical repair of VVF.

Robot-assisted vesicovaginal fistula repair with "Rainbow-shaped" peritoneal flap: a single-center experience.

Purpose: Vesicovaginal fistula (VVF) refers to an abnormal communication between the bladder and vagina, leading to uncontrolled leakage of urine from the vagina. This study aimed to assess the efficacy and safety of robot-assisted laparoscopic VVF repair with a "rainbow-shaped" peritoneal flap.

Methods: A retrospective analysis was conducted on 15 patients who underwent robot-assisted VVF repair from July 2021 to March 2023 in Peking University First Hospital.

Development and Validation of Interpretable Machine Learning Models for Clinically Significant Prostate Cancer Diagnosis in Patients With Lesions of PI-RADS v2.1 Score ≥3.

Background: For patients with PI-RADS v2.1 ≥ 3, prostate biopsy is strongly recommended. Due to the unsatisfactory positive rate of biopsy, improvements in clinically significant prostate cancer (csPCa) risk assessments are required.

Insights into urinary incontinence after robot-assisted radical prostatectomy: urgent urinary incontinence or stress urinary incontinence.

Purpose: Urinary incontinence is a common complication following robot-assisted radical prostatectomy (RARP). Few studies have explored the relationships and differences between stress urinary incontinence (SUI) and urgent urinary incontinence (UUI) after RARP. This study aimed to investigate the occurrence rates and risk factors of UUI and SUI in short term after RARP.

Physics-informed machine learning methods for biomass gasification modeling by considering monotonic relationships.

Machine learning methods have recently shown a broad application prospect in biomass gasification modeling. However, a significant drawback of the machine learning approaches is their poor physical interpretability when relying on limited experimental data. In the present work, a physics-informed neural network method (PINN) is developed to predict biomass gasification products (N, H, CO, CO, and CH).

The impact of catheter removal time on urinary continence and overactive bladder symptoms after robot-assisted radical prostatectomy: a retrospective analysis of consecutive 432 cases from a single institution.

Background: After radical prostatectomy, the optimal length of postoperative catheterization time remains to be determined. This study investigates the impact of catheter removal time on urinary continence and overactive bladder (OAB) symptoms after robot-assisted radical prostatectomy (RARP).

Methods: Four hundred and thirty-two consecutive patients underwent RARP by a single surgeon between Nov 2020 and Oct 2021.

Wet deposition of atmospheric selenium and sensitivity to emission and precipitation patterns.

Wet deposition has been well recognized to be affected by species concentration and precipitation; nevertheless, the regimes in the controlling factor of concentration or precipitation have not yet been clarified. Using a trace element, selenium (Se), with dual effects on human health as a testbed, we first reproduce the spatial distribution of atmospheric Se concentrations and wet deposition fluxes through GEOS-Chem on a global scale, and examine the spatial patterns and relative importance of anthropogenic emissions vs. natural emissions over various regions around the world.

Does preoperative morphology of multifidus influence the surgical outcomes of stand-alone lateral lumbar interbody fusion for lumbar spondylolisthesis?

Objectives: To investigate whether the preoperative morphology of multifidus influences the surgical outcomes of stand-alone lateral lumbar interbody fusion (LLIF) for lumbar spondylolisthesis.

Patients And Methods: Fifty-eight patients with lumbar spondylolisthesis who underwent single-level, stand-alone LLIF at the L4-5 level were included and followed up for at least 12 months. Preoperative axial cross-sectional area (CSA) and fat infiltration rate (FIR) of multifidus on MRI scans were measured using the ImageJ software.

The Prevalence, Coinfection, and Evolutionary and Molecular Characteristics of Prevalent Goose Circovirus in Guangdong, China.

To understand the prevalence, coinfection with other viruses, underlying genetic evolution, recombination, and molecular biological characteristics of goose circovirus (GoCV) in Guangdong, China, from December 2019 to August 2020, 310 tissue samples of geese showing stunted growth and feather disorder syndrome were collected from this region and analyzed. GoCV, Tembusu virus, waterfowl paramyxovirus, avian influenza virus, fowl adenovirus type 4, and duck plague virus were detected with PCR or real-time PCR. Thirty-one complete GoCV viral genomes were obtained from 164 PCR-verified GoCV nucleotide-positive samples and subjected to phylogenetic analysis, gene recombination analysis, and genome secondary structure prediction.

The diagnostic and therapeutic efficacy of cystoscopy with hydrodistension and random biopsies in clinically suspected interstitial cystitis/bladder pain syndrome.

Objective: We aimed to explore the diagnostic and therapeutic efficacy of cystoscopy with hydrodistension and random biopsies for clinically suspected interstitial cystitis/bladder pain syndrome (IC/BPS).

Study Design: We reviewed the data of fifty-five clinically suspected IC/BPS patients underwent cystoscopy with hydrodistension and random biopsies. Global Response Assessment was used to evaluate the efficacy.

Fast pyrolysis of torrefied holocellulose for producing long-chain ether precursors in a fluidized bed.

Combining torrefaction with fast pyrolysis is an achievable route for producing long-chain ether precursors. The results of structural characterization for native and torrefied holocellulose indicated that with increasing torrefaction temperature, the crystallinity index (CrI) decreased slightly and then sharply increased; hydroxyls, O-acetyl branches, ether bond and β-1,4-glycosidic bond were eliminated but carbonyls increased. Maximum mass loss rate and apparent activation energy increased after torrefaction.

Fast pyrolysis of holocellulose for the preparation of long-chain ether fuel precursors: Effect of holocellulose types.

The pyrolysis behaviors of nine biomass-derived holocelluloses (from seven agricultural and two forestry residues) were studied on a thermogravimetric analyzer (TGA) and pyrolysis-gas chromatography/mass spectrometer (Py-GC/MS). The results illustrated that compared with forestry holocellulose, agricultural holocellulose had quite high ash and hemicellulose contents. Moreover, agricultural holocellulose presented lower initial temperature and maximum mass loss rate.

The Whitaker Test in the Follow-up of Complex Upper Urinary Tract Reconstruction: Is It Clinical Useful or Not.

Purpose: To evaluate the feasibility and guiding significance in postoperative management of the Whitaker test after complex reconstruction of the upper urinary tract.

Materials And Methods: Patients who underwent complex ureteral reconstruction and received the Whitaker test after surgery between December 2018 and December 2019 were included. We judged it abnormal that the renal pelvis pressure was higher than 22 cmH2O or the pressure difference was greater than 15 cmH2O.

Global health effects of future atmospheric mercury emissions.

Mercury is a potent neurotoxin that poses health risks to the global population. Anthropogenic mercury emissions to the atmosphere are projected to decrease in the future due to enhanced policy efforts such as the Minamata Convention, a legally-binding international treaty entered into force in 2017. Here, we report the development of a comprehensive climate-atmosphere-land-ocean-ecosystem and exposure-risk model framework for mercury and its application to project the health effects of future atmospheric emissions.

Molecular dynamics simulations data of six compounds F3J-BRD4/CBP, EX1-BRD4/CBP, and E2T-BRD4/CBP.

The data here described are related to the research article entitled "Molecular dynamics insights into binding selectivity of inhibitors toward BRD4 and CBP" [1]. Bromodomain-containing protein 4 (BRD4) and CREB binding protein (CBP) play important roles in tumorigenesis and development. We performed 200-ns molecular dynamics (MD) simulations on three pairs of inhibitor-BRD4 and inhibitor-CBP complexes to clarify binding selectivity of inhibitors toward BRD4 and CBP.

A modified Whitaker test (upper urinary tract videourodynamics) using for evaluating complex upper urinary tract reconstruction surgical effect.

Background: To evaluate the feasibility and effect of upper urinary tract videourodynamics in complex reconstructed upper urinary tract.

Methods: From January 2016 to December 2018, patients who underwent complex upper urinary tract reconstruction and received upper urinary tract videourodynamics were included in the study. The modified Whitaker test was performed at 3 months after operation.

Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations.

Bromodomain-containing protein 4 (BRD4) plays an important role in mediating gene transcription involved in cancers and non-cancer diseases such as acute heart failure and inflammatory diseases. In this work, multiple short molecular dynamics (MSMD) simulations are integrated with a molecular mechanics generalized Born surface area (MM-GBSA) approach to decipher binding selectivity of three inhibitors 8NS, 82Y, and 837 toward two domains BD1 and BD2 of BRD4. The results demonstrate that the enthalpy effects play critical roles in selectivity identification of inhibitors toward BD1 and BD2, determining that 8NS has better selectivity toward BD2 than BD1, while 82Y and 837 more favorably bind to BD1 than BD2.

Use of Facebook by Academic Medical Centers in Taiwan During the COVID-19 Pandemic: Observational Study.

Background: The battle against COVID-19 remains ongoing, and social media has played an important role during the crisis for both communication and health promotion, particularly for health care organizations. Taiwan's success during the COVID-19 outbreak is well known and the use of social media is one of the key contributing factors to that success.

Objective: This nationwide observational study in Taiwan aimed to explore the use of Facebook by academic medical centers during the COVID-19 pandemic.

The decade long achievements of China's marine ecological civilization construction (2006-2016).

China needs to balance between current population pressures and a vulnerable marine environment, creating a national, political outline or management strategy dubbed an ecological civilization construction. The nation's effort to protect and maintain a sustainable ocean and address the relevant economic, resource and environmental issues relies on Marine Ecological Civilization (MEC) construction. The quantification of MEC progress is essential to track the management performance and guide the subsequent development and implementation.

Transvaginal management of symptomatic complex urethral diverticula by definite closure of diverticula and robust reconstruction of the urethra.

Background: Management of complex urethral diverticula (UDs) is challenging not only for the ostia detection and urethral reconstruction in surgery but also for the high risk of postoperative complications. We aimed to present the experience of surgical management for UDs by transvaginal partial diverticulectomy and urethral reconstruction.

Methods: The database of medical record library was retrospectively searched for patients underwent partial diverticulectomy for symptomatic complex UDs.

The climate impact on atmospheric stagnation and capability of stagnation indices in elucidating the haze events over North China Plain and Northeast China.

In this study, the spatial pattern and temporal evolution of PM over North China Plain (NCP) and Northeast China (NEC) during 2014-2018 was investigated. The annual mean PM shows clear decreasing trends over time, but the seasonal mean PM as well as the seasonal total duration and frequency of haze days shows large inter-annual fluctuation. Based on the atmospheric stagnation index (ASI), this study examined the correlation between ASI and haze events over NCP and NEC.

Global impact of atmospheric arsenic on health risk: 2005 to 2015.

Arsenic is a toxic pollutant commonly found in the environment. Most of the previous studies on arsenic pollution have primarily focused on arsenic contamination in groundwater. In this study, we examine the impact on human health from atmospheric arsenic on the global scale.

Expression and prognostic value of PD-L1 in non-schistosoma-associated urinary bladder squamous cell carcinoma.

Background: Non-schistosoma-associated urinary bladder squamous cell carcinoma (SqCC) has low incidence and is associated with chronic inflammation. Due to its unique etiology and pathology, expression of programmed cell death ligand 1 (PD-L1) in SqCC could be different from that of urothelial carcinoma, which may contribute to different responses to immunotherapy. In this study, we intended to explore the expression profile and prognostic value of PD-L1 in non-schistosoma-associated urinary bladder SqCC under the consideration of tumor-infiltrating lymphocytes' (TILs) density.

A Strategic Imperative for Promoting Hospital Branding: Analysis of Outcome Indicators.

Background: Optimizing the use of social media to promote hospital branding is important in the present digital era. In Taiwan, only 51.1% of hospitals have official Facebook fan pages.