Solution Thermodynamics of l-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations.

Efficiently obtaining atomic-scale thermodynamic parameters characterizing crystallization from solution is key to developing the modeling strategies needed in the quest for digital design strategies for industrial crystallization processes. Based on the thermodynamics of crystal nucleation in confined solutions, we develop a simulation framework to efficiently estimate the solubility and surface tension of organic crystals in solution from a few unbiased molecular dynamics simulations at a reference temperature. We then show that such a result can be extended with minimal computational overhead to capture the solubility curve.

Purification of mesenchymal stromal cell-derived small extracellular vesicles using ultrafiltration.

Mesenchymal stromal cell-derived small extracellular vesicles (MSC-sEVs) are pivotal for the curative effects of mesenchymal stromal cells, but their translation into clinical products is hindered by the technical challenges of scaled production and purification. Ultrafiltration, a pressure-driven membrane separation method, is well known as an efficient, scalable, and cost-effective approach for bioseparation. However, there has been little study so far that comprehensively evaluates the potential application of ultrafiltration for scaled sEV isolation and purification.

A Multicenter ICET-A Survey on Adherence to Annual Oral Glucose Tolerance Test (OGTT) Screening in Transfusion-Dependent Thalassemia (TDT) Patients - The Expert Clinicians' Opinion on Factors Influencing the Adherence and on Alternative Strategies for Adherence Optimization.

Background: Current guidelines for screening glucose dysregulation (GD) in patients with transfusion-dependent thalassemia (TDT) recommend an annual 2-hour oral glucose tolerance test (OGTT) starting at the age of 10 years.

Objective: Assessment of adherence to OGTT screening in patients with TDT.

Methods: A questionnaire was distributed to 18 Thalassemia Centers in 10 different countries, targeting factors influencing adherence to annual OGTT screening in specialized multidisciplinary pediatric and adult TDT units and identifying strategies to improve adherence to OGTT in TDT patients.

A non-interventional biomarker study in patients with adenocarcinoma of the lung treated with nintedanib plus docetaxel following progression on chemotherapy and/or immunotherapy: LUME-BioNIS.

Background: Anti-angiogenic agents, such as nintedanib and ramucirumab, when combined with docetaxel, are subsequent treatment options in patients with non-small cell lung cancer (NSCLC) who have failed on first-line chemotherapy or immunochemotherapy. However, to date, there are no validated predictive biomarkers for efficacy of anti-angiogenic therapies in this setting. The aim of this study was to explore whether genetic or genomic markers, alone or combined with clinical covariates, could be used to predict overall survival (OS) in patients with NSCLC who are eligible for treatment with nintedanib plus docetaxel.

Climate signal age effects in tree-ring density data from the Spanish Pyrenees.

Key Message:

Abstract: Tree-rings are the prime archive for high-resolution climate information over the past two millennia. However, the accuracy of annually resolved reconstructions from tree-rings can be constrained by what is known as climate signal age effects (CSAE), encompassing changes in the sensitivity of tree growth to climate over their lifespans. Here, we evaluate CSAE in from an upper tree line site in the Spanish central Pyrenees, Lake Gerber, which became a key location for reconstructing western Mediterranean summer temperatures at annual resolution.

Raman active diyne-girder conformationally constrained p53 stapled peptides bind to MDM2 for visualisation without fluorophores.

Peptide stapling is an effective strategy to stabilise α-helical peptides, enhancing their bioactive conformation and improving physiochemical properties. In this study, we apply our novel diyne-girder stapling approach to the MDM2/MDMX α-helical binding region of the p53 transactivation domain. By incorporation of an unnatural amino acid to create an optimal , + 7 bridge length, we developed a highly α-helical stapled peptide, 4, confirmed circular dichroism.

Research hotspots and trends in lung cancer STAS: a bibliometric and visualization analysis.

Purpose: This study employed the R software bibliometrix and the visualization tools CiteSpace and VOSviewer to conduct a bibliometric analysis of literature on lung cancer spread through air spaces (STAS) published since 2015.

Methods: On September 1, 2024, a computer-based search was performed in the Web of Science (WOS) Core Collection dataset for literature on lung cancer STAS published between January 1, 2015, and August 31, 2024. VOSviewer was used to visually analyze countries, institutions, authors, co-cited authors, and keywords, while CiteSpace was utilized to analyze institutional centrality, references, keyword bursts, and co-citation literature.

Why is it so hard to reduce harm from medicines?

Pharmacotherapy is the most common therapeutic intervention in healthcare, but more than 200 million medication errors occur every year in England alone. This may in part reflect greater awareness and better reporting; however, the incidence of patient harm from medication has remained broadly unchanged for decades, despite concerted national campaigns and global safety initiatives. Rapid technological and therapeutic advances together with the complexity of modern healthcare make reducing harm from medicines more challenging than ever.

A retrospective view of hospital pharmacy in the UK over the last 20 years.

In this article, we describe how the landscape of hospital pharmacy has changed over the last 20 years. As well as commenting on the impact of COVID-19 on services, we describe five major advancements namely: clinical pharmacy services, the development of multi-professional teams, policy changes, attitudes to using and producing evidence, advances in technology and workforce development. Finally, there is brief comment around the future challenges for hospital pharmacy in the UK.

Delivering national immunisation programmes - a blanket opportunity for the pharmacy profession or a case of horses for courses?

This opinion piece explores the opportunities and challenges from increased utilisation of pharmacists and pharmacy technicians in delivery of the UK immunisation programme, within the recent legislative change enabling pharmacy technicians to administer Prescription Only Medicines (POMs) under Patient Group Directions (PGDs).

Experimental dataset of a model-scale ship in calm water and waves.

This article presents data derived from a series of experiments conducted on a scaled model ship, examining its performance in both calm water and regular waves. The acquisition of high-quality experimental data is essential for refining Computational Fluid Dynamics (CFD) simulations and modifying analytical methods to evaluate the powering performance of ships. Despite notable advancements in numerical models, there exists a corresponding imperative to elevate the precision of measurements and insights obtained from towing tank tests.

The Impact of Idiopathic Intracranial Hypertension on Cardiovascular Disease Risk Among UK Women: An Obesity-Adjusted Analysis.

Introduction: Idiopathic intracranial hypertension (IIH) is known to elevate cardiovascular disease (CVD) risk, but the extent to which obesity and IIH-specific factors contribute to this risk is not well understood. WE aim to separate the effects of obesity from IIH-specific factors on the risk of stroke and CVD, building on previous findings that indicate a two-fold increase in cardiovascular events in women with IIH compared to BMI-matched controls.

Methods: An obesity-adjusted risk analysis was conducted using Indirect Standardization based on data from a cohort study by Adderley et al.

Environmental contributions to cognitive development: The role of cognitive stimulation.

Early environmental experiences influence children's cognitive and neural development. In particular, cognitive stimulation, defined as environmental inputs that engage the senses and provide learning opportunities for children, fosters acquisition of knowledge across various cognitive domains. Low levels of cognitive stimulation in early life may restrict learning opportunities, contributing to lasting consequences for neural development and later academic and occupational achievement.

A Scleroderma and Raynaud's UK (SRUK) national survey to explore rheumatologists' awareness, approaches to diagnosis and management and training needs within systemic sclerosis.

Objectives: Patients' outcomes and experiences can be affected by rheumatologist knowledge and awareness of systemic sclerosis (SSc). Our survey, directed at UK-based rheumatologists, aimed to expand our understanding of the above points along with their ability to keep up to date with guidelines defining best practice.

Methods: Rheumatologists were invited to participate in an online survey, with the results analysed and presented descriptively and graphically by SRUK.

A Rare Case of Disseminated Tuberculosis Presenting As a Frontal Headache and Photophobia in the UK.

Tuberculosis is a disease caused by  (TB), demonstrating a vast clinical spectrum that can potentially involve all systems of the body. We present the case of a female in her late 20s, with an employment background in healthcare. She recently moved to the UK from India.

A Systematic Literature Review of Trauma Systems: An Operations Management Perspective.

Background: Trauma systems provide comprehensive care across various settings, from prehospital services to rehabilitation, integrating clinical and social care aspects. Established in the 1970s, these systems are pivotal yet under-researched in their operational management. This study aims to fill this gap by focussing on the integration of operations management (OM) techniques to enhance the efficiency and effectiveness of trauma systems.

Development and Validation of the Self-Stigma Scale for Secondary Vocational Students (SSS-SVS).

Background: Stigma can not only threaten the self-identity of secondary vocational students, but also have negative effects on their mental health and behavior.

Objective: This study aimed to develop the Self-Stigma Scale for Secondary Vocational Students (SSS-SVS) and test its reliability and validity.

Patients And Methods: This study formed a scale based on the stigma conceptualization model and open questionnaire.

Comparing the tissue Doppler-derived left ventricular myocardial performance index before and after recovery from respiratory distress in neonates: A prospective observational study.

Background And Objective: Respiratory distress is the most common cause requiring neonatal intensive care unit admission. As respiratory and cardiac functions are closely interrelated, some cardiac dysfunction is expected in respiratory distress. The myocardial performance index (MPI) is an index to assess global myocardial function, easily measurable by bedside echocardiography and reliable.

Spatio-Temporal Changes in Effective Population Size in an Expanding Metapopulation of Eurasian Otters.

Conservation efforts are leading to demographic growth and spatial expansion of some previously endangered species. However, past population bottlenecks or population size fluctuations can have lasting effects on effective population size ( ), even when census size ( ) appears large or recovered. The UK metapopulation of Eurasian otters () has a well-documented history of population recovery over recent decades, with indicators of presence (faeces and footprints) increasing in distribution and number over successive national surveys.

Significant oligodendrocyte progenitor and microglial cell death is a feature of remyelination following toxin-induced experimental demyelination.

The extent to which glial cell turnover features in successful remyelination is unclear. In this study, the rat caudal cerebellar peduncle-ethidium bromide lesion model was used to profile oligodendroglial and microglial/macrophage cell death and proliferation dynamics over the course of repair. Lesioned and control tissue was co-labelled with antibody markers for cell identity, proliferation, and apoptosis (TUNEL assay), then imaged at full thickness using confocal microscopy and quantified using custom CellProfiler pipelines.

Decked Out for Success: A Novel Card Game to Support School Teaching of Radioactivity and Nuclear Science.

The global nuclear skills shortage requires a comprehensive investment in training at all levels of education. With focus on post-18 and vocational education, there is a lack of resource and awareness for teaching nuclear skills to students between the ages of 11 to 18 years of age. This age group is vital if interest in this industry is to be nurtured and the skills gap is to be addressed.

Is It Time Alpha-1 Antitrypsin Deficiency Had a Specific Patient Reported Outcome Measure? A Review.

Alpha-1 antitrypsin deficiency (AATD) is a rare cause of chronic lung and liver disease without its own patient reported-outcome measure (PROM). PROMs for Chronic Obstructive Pulmonary Disease (COPD) are commonly used instead, but AATD differs from COPD in several ways. We reviewed whether the PROMs used in the AATD literature adequately assess quality-of-life in these patients.

Deep Learning-Enabled Integration of Histology and Transcriptomics for Tissue Spatial Profile Analysis.

Spatially resolved transcriptomics enable comprehensive measurement of gene expression at subcellular resolution while preserving the spatial context of the tissue microenvironment. While deep learning has shown promise in analyzing SCST datasets, most efforts have focused on sequence data and spatial localization, with limited emphasis on leveraging rich histopathological insights from staining images. We introduce GIST, a deep learning-enabled gene expression and histology integration for spatial cellular profiling.