TopMT-GAN: a 3D topology-driven generative model for efficient and diverse structure-based ligand design.

Recent advancements in 3D structure-based molecular generative models have shown promise in expediting the hit discovery process in drug design. Despite their potential, efficiently generating a focused library of candidate molecules that exhibit both effective interactions and structural diversity at a large scale remains a significant challenge. Moreover, current studies often lack comprehensive comparisons to high-throughput virtual screening methods, resulting in insufficient evaluation of their effectiveness.

Post-COVID Hypertension With Hyperreninemic Hyperaldosteronism in a Pediatric Patient.

COVID-19 infection may predispose patients to long-term renovascular complications. Early recognition and management are crucial for optimal outcomes. This case report underscores the importance of thorough follow-up care for children recovering from COVID-19, with a focus on monitoring blood pressure and renal function to mitigate long-term renovascular disease.

Extending health equity to people with moderate and mild hemophilia A: revisiting the HAVEN 6 trial.

Congenital hemophilia A (HA) disease severity has traditionally been categorized according to intrinsic factor (F)VIII levels, with <1% of normal indicating severe HA, 1% to 5% moderate HA, and 6% to 40% mild HA. However, mounting evidence illustrates considerable variability in bleeding phenotype regardless of FVIII level. Despite treatment advances, people with moderate or mild HA may be neglected, as treatment guidelines and established norms focus on FVIII levels, and many clinical trials do not include people with FVIII > 1%.

Acquired factor V inhibitor in a case of pediatric venous thrombosis.

Background: The development of acquired factor (F)V with inhibitor (AFVwI) is rare, resulting mainly in bleeding complications, although sporadic cases of thrombosis in adults have been reported.

Key Clinical Question: How do you diagnose and manage a pediatric case of acute deep venous thrombosis associated with the concurrent finding of AFVwI?

Clinical Approach: A 13-year-old female with Crohn's Disease and May-Thurner anatomy developed extensive deep venous thrombosis of the left lower extremity, complicated by the finding of AFVwI, discovered during the evaluation of a prolonged prothrombin time and a low FV activity. Anticoagulation was initiated with low-molecular-weight heparin followed by a direct oral anticoagulant, rivaroxaban, without any complications.

Primary Literature for Teaching Neuroimmunology - An Instructor's Resource.

Supplementing textbooks with primary literature in teaching neuroscience is a growing practice associated with several positive outcomes, such as increased content knowledge, research and data skills, and critical thinking. This pedagogical approach, however, still needs further development to make it accessible to instructors and valuable to students. This article describes a series of published articles we used in an undergraduate neuroimmunology course.

Impact of antiparasitic therapy on cardiovascular outcomes in chronic Chagas disease. A systematic review and meta-analysis.

Background: Endemic in more than 20 countries, Chagas disease affects 6.3 million people worldwide, leading to 28,000 new infections and 7700 deaths each year. Previous meta-analyses on antiparasitic treatment need updates to encompass recent studies and to assess key clinically meaningful endpoints.

Thermal Conductivity of Liquid -1,2-Dichloroethene (R-1130(E)): Measurement and Modeling.

The thermal conductivity of liquid -1,2-dichloroethene (R-1130(E)) was measured at temperatures ranging from 240 K to 340 K and pressures up to 25 MPa using a transient hot-wire instrument. A total of 447 thermal conductivity data points were measured along six isotherms. Each isotherm includes data at nine pressures, which were chosen to be at equal density increments starting at a pressure of 0.

Guidance needed for using artificial intelligence to screen journal submissions for misconduct.

Journals and publishers are increasingly using artificial intelligence (AI) to screen submissions for potential misconduct, including plagiarism and data or image manipulation. While using AI can enhance the integrity of published manuscripts, it can also increase the risk of false/unsubstantiated allegations. Ambiguities related to journals' and publishers' responsibilities concerning fairness and transparency also raise ethical concerns.

Current state and future perspectives of spinal navigation and robotics-an AO spine survey.

Introduction: The use of robotics in spine surgery has gained popularity. This study aims to assess the current state of robotics and raise awareness of its educational implications.

Research Question: What are the current adoption trends and barriers to the implementation of robotic assistance in spine surgery?

Material And Methods: An online questionnaire comprising 27 questions was distributed to AO spine members between October 25th and November 13th, 2023, using the SurveyMonkey platform (https://www.

Empirical design of population health strategies accounting for the distribution of population health risks.

Recent discussions in epidemiology have emphasised the need to estimate the heterogeneous effects of risk factors across the distribution of health outcomes for better aetiological understanding of the determinants of population health. We propose using quantile regression-based decomposition to expand the empirical discussion on population health intervention strategies for health equity by incorporating population homogeneity/heterogeneity in the risk-outcome association. We theorised that the 'proportionate universalism' approach presumes population homogeneity in the risk-outcome association with varying risk intensities, which decomposition analysis shows as the 'covariates part' between groups.

Integrating Patient-Generated Health Data from Mobile Devices into Electronic Health Records: Best Practice Recommendations by the IFCC Committee on Mobile Health and Bioengineering in Laboratory Medicine (C-MHBLM).

Background: An increasing number of wearable medical devices are being used for personal monitoring and professional health care purposes. These mobile health devices collect a variety of biometric and health data but do not routinely connect to a patient's electronic health record (EHR) or electronic medical record (EMR) for access by a patient's health care team.

Methods: The International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) Committee on Mobile Health and Bioengineering in Laboratory Medicine (C-MHBLM) developed consensus recommendations for consideration when interfacing mobile health devices to an EHR/EMR.

Data-integration with pseudoweights and survey-calibration: application to developing US-representative lung cancer risk models for use in screening.

Accurate cancer risk estimation is crucial to clinical decision-making, such as identifying high-risk people for screening. However, most existing cancer risk models incorporate data from epidemiologic studies, which usually cannot represent the target population. While population-based health surveys are ideal for making inference to the target population, they typically do not collect time-to-cancer incidence data.

A comparison of some existing and novel methods for integrating historical models to improve estimation of coefficients in logistic regression.

Model integration refers to the process of incorporating a fitted historical model into the estimation of a current study to increase statistical efficiency. Integration can be challenging when the current model includes new covariates, leading to potential model misspecification. We present and evaluate seven existing and novel model integration techniques, which employ both likelihood constraints and Bayesian informative priors.

Studying Chinese immigrants' spatial distribution in the Raleigh-Durham area by linking survey and commercial data using romanized names.

Many population surveys do not provide information on respondents' residential addresses, instead offering coarse geographies like zip code or higher aggregations. However, fine resolution geography can be beneficial for characterizing neighbourhoods, especially for relatively rare populations such as immigrants. One way to obtain such information is to link survey records to records in auxiliary databases that include residential addresses by matching on variables common to both files.

Synthesis estimators for transportability with positivity violations by a continuous covariate.

Studies intended to estimate the effect of a treatment, like randomized trials, may not be sampled from the desired target population. To correct for this discrepancy, estimates can be transported to the target population. Methods for transporting between populations are often premised on a positivity assumption, such that all relevant covariate patterns in one population are also present in the other.

Birds of a feather? Mis- and dis-information on the social media platform X related to avian influenza.

Objective: Social media has become an important tool in monitoring infectious disease outbreaks such as coronavirus disease 2019 and highly pathogenic avian influenza (HPAI). Influenced by the recent announcement of a possible human death from H5N2 avian influenza, we analyzed tweets collected from X (formerly Twitter) to describe the messaging regarding the HPAI outbreak, including mis- and dis-information, concerns, and health education.

Methods: We collected tweets involving keywords relating to HPAI for 5 days (June 04 to June 08, 2024).

Impact of order set implementation on appropriate treatment of community-acquired pneumonia (CAP).

Objective: This study aimed to evaluate appropriate antimicrobial prescribing after implementing a pneumonia order set within a community teaching hospital.

Design: Retrospective chart review study.

Setting: 450-bed community teaching hospital.

Blood culture bottle shortage mitigation efforts: analysis of impact on ordering and patient impact.

Objective Design: In June of 2024, Becton Dickinson experienced a blood culture bottle shortage for their BACTEC system, forcing health systems to reduce usage or risk exhausting their supply. Virginia Commonwealth University Health System (VCUHS) in Richmond, VA decided that it was necessary to implement austerity measures to preserve the blood culture bottle supply.

Setting: VCUHS includes a main campus in Richmond, VA as well as two affiliate hospitals in South Hill, VA (Community Memorial Hospital (CMH)) and Tappahannock Hospital in Tappahannock, VA.

Comorbidities And Reducing InEquitieS (CARES): Feasibility of self-monitoring and community health worker support in management of comorbidities among Black breast and prostate cancer patients.

Background: Black individuals with cancer have a higher prevalence of comorbidities and a worse cancer prognosis than other racial groups in the US. As part of a quality improvement project, we aimed to demonstrate feasibility of self-monitoring and community health worker (CHW) support among managing comorbidities for Black individuals with breast or prostate cancer.

Methods: In a single arm, pre-post study, we enrolled patients with diabetes and/or hypertension who identified as Black and were diagnosed with 1) stage 0-IV breast cancer, or 2) prostate cancer and on long-term androgen-deprivation therapy.

Conducting clinical trials with self-collection of pharmacokinetic samples: Experience from an exploratory, phase 1, open-label trial of centanafadine SR in healthy individuals.

Background: The COVID-19 pandemic accelerated a shift to decentralized clinical trials. We present the potential feasibility of this approach from a phase 1 pharmacokinetic (PK) trial.

Methods: Healthy adults (18-55 years) with a body mass index of 19.

Tools to improve discharge equity: Protocol for the pilot TIDE trial.

Background: Written discharge instructions after hospitalization promote patient understanding and positive clinical outcomes. Despite the rising prevalence of patients with non-English language preference (NELP) in the U.S.

Feasibility trial of STRONG: A digital intervention to improve nutritional management for individuals with esophageal and gastroesophageal junction cancer.

Introduction: Individuals with esophageal and gastroesophageal junction (GEJ) cancers are at especially high risk of malnutrition. However, most patients with malnutrition do not receive adequate nutritional support. We conducted a single-arm trial to test the implementation of Support Through Remote Observation and Nutrition Guidance (STRONG), a multilevel digital intervention to improve nutritional outcomes for patients with locally advanced esophageal and gastroesophageal junction cancer.

Styloid process phenotype and atheromatous plaque: Radiographic and bone density assessment in parathyroid disease.

Purpose: This study aimed to assess the styloid process (TBSP) phenotype and to identify suggestive images of calcified atheromatous plaques (CAP) in panoramic radiographs of patients with primary hyperparathyroidism (PHPT) and post-surgical hypoparathyroidism (hypoPT). Additionally, it aimed to analyze the association between the bone mineral status of patients with parathyroid diseases and the radiographic findings.

Material And Methods: A cross-sectional case-control study was conducted with individuals diagnosed with PHPT (n = 25) and post-surgical hypoPT (n = 25).