Venomics AI: a computational exploration of global venoms for antibiotic discovery.

The relentless emergence of antibiotic-resistant pathogens, particularly Gram-negative bacteria, highlights the urgent need for novel therapeutic interventions. Drug-resistant infections account for approximately 5 million deaths annually, yet the antibiotic development pipeline has largely stagnated. Venoms, representing a remarkably diverse reservoir of bioactive molecules, remain an underexploited source of potential antimicrobials.

Grouping of chemicals for safety assessment: the importance of toxicokinetic properties of salicylate esters.

Grouping of chemicals has been proposed as a strategy to speed up the screening and identification of potential substances of concern among the broad chemical universe under REACH. Such grouping is usually based on shared structural features and should only be used for the prioritization objectives. However, additional considerations (as well as structural similarity) are needed, e.

AI Methods for Antimicrobial Peptides: Progress and Challenges.

Antimicrobial peptides (AMPs) are promising candidates to combat multidrug-resistant pathogens. However, the high cost of extensive wet-lab screening has made AI methods for identifying and designing AMPs increasingly important, with machine learning (ML) techniques playing a crucial role. AI approaches have recently revolutionised this field by accelerating the discovery of new peptides with anti-infective activity, particularly in preclinical mouse models.

Disentangling Sources of Momentum Fluctuations in Xe+Xe and Pb+Pb Collisions with the ATLAS Detector.

High-energy nuclear collisions create a quark-gluon plasma, whose initial condition and subsequent expansion vary from event to event, impacting the distribution of the eventwise average transverse momentum [P([p_{T}])]. Disentangling the contributions from fluctuations in the nuclear overlap size (geometrical component) and other sources at a fixed size (intrinsic component) remains a challenge. This problem is addressed by measuring the mean, variance, and skewness of P([p_{T}]) in ^{208}Pb+^{208}Pb and ^{129}Xe+^{129}Xe collisions at sqrt[s_{NN}]=5.

Sexual health in women and sexual-gender-minority patients with cancer: A nationwide survey on healthcare professional awareness and attitude on behalf of MITO and AIRO-gynecology group.

Background: Compared to male patients, sexual health remains poorly studied in women and sexual gender minority (SGM) patients with cancers.

Material And Methods: An online survey was developed by a multidisciplinary team to assess the awareness and attitude of Italian oncological providers facing sexual health during or after cancer treatment. On behalf of the respective scientific committees, the questionnaire was sent to Multicenter Italian Trials in Ovarian cancer and gynecologic malignancies group (MITO) and to Italian Association of Radiation Oncology (AIRO) Group.

Reliability agreement in foul and penalty judgements between officials in the Swedish hockey league.

Introduction: Officials are essential in terms of player safety and injury prevention, especially in contact team sports such as ice hockey, where numerous fast pace and high force contacts occur. If against the rules, these collisions can result in penalties. However, there is limited literature on the inter-rater reliability of the officials' decisions.

Dissipative particle dynamics parametrisation using infinite dilution activity coefficients: the impact of bonding.

Dissipative particle dynamics (DPD) simulations have proven to be a valuable coarse-grained simulation technique for studying complex systems such as surfactant and polymer solutions. However, the best method to use in parametrising DPD systems is not universally agreed. One common approach is to map infinite dilution activity coefficients to the DPD simulation 'beads' that represent molecular fragments.

Workshop on the Latest Advances in Biomedical Applications of Octacalcium Phosphate.

The first workshop on the "latest advances in biomedical applications of octacalcium phosphate (OCP)" was organized as a satellite symposium to the Bioceramics33 conference in Solothurn, Switzerland, in October 2023. The event brought together leading researchers and industry representatives to present and discuss their latest groundbreaking research aimed at developing and commercializing advanced OCP-based biomaterials for bone regeneration. The topics presented by the six invited speakers ranged from a fundamental understanding of the OCP crystal chemistry to advanced processing and characterization methods, functionalization, biomineralization, and commercialization.

Deep transcranial magnetic stimulation for adolescents with treatment-resistant depression: Behavioral and neural correlates of clinical improvement.

Background: Affective bias toward negativity is associated with depression and may represent a promising treatment target. Stimulating the dorsolateral prefrontal cortex (dlPFC) with deep Transcranial Magnetic Stimulation (dTMS) could lead to shifts in affective bias. The current study examined behavioral and neural correlates of affective bias in the context of dTMS in adolescents with treatment-resistant depression (TRD).

Characterising the activity, lifestyle behaviours and health outcomes of UK university students: an observational cohort study with a focus on gender and ethnicity.

Background: Health-related outcomes and behaviours in university students are known to be poor relative to the general population. The substantial contextual shifts related to the COVID-19 pandemic, combined with increased numbers of students from minoritised ethnicity backgrounds and presenting as trans and gender diverse (TGD), means that up-to-date information is unavailable. The primary aim of this study was therefore to characterise the current movement, dietary and lifestyle behaviours, mental health, and Body Mass Index (BMI) of UK university students and assess differences between genders and ethnic groups.

The Urgency Numeric Rating Scale: Psychometric Evaluation in Adults with Crohn's Disease.

Introduction: Bowel urgency has recently been recognized as a Crohn's disease (CD) symptom that substantially impacts patients' quality of life. The Urgency NRS is a single-item patient-reported outcome measure assessing bowel urgency severity in the past 24 h (0-10 scale). We aimed to evaluate the psychometric properties of the Urgency Numeric Rating Scale (NRS) in adults with moderately to severely active CD and to estimate thresholds for meaningful improvement and bowel urgency remission.

Dihydroxypropyl Chitosan: A Biorenewable Platform for the Design of Novel Fabric Care Additives.

The design of more sustainable and eco-friendly solutions is one of the central challenges in the formulation of today's laundry products. Water-soluble polymers are indispensable additives in laundry detergents as they play a wide range of functions. At present, the vast majority of these are still produced from petrochemical resources.

Interfacing CuO, CuBiO, and protective metal oxide layers to boost solar-driven photoelectrochemical hydrogen evolution.

This article reports the development of CuO|CuBiO photocathodes stabilized by protective layers of TiO, MgO, or NiO, with Pt or MoS nanoparticles serving as co-catalysts to facilitate H evolution. Most notably, this work demonstrates the first application of MgO as a protection/passivation layer for photocathodes in a water-splitting cell. All configurations of photocathodes were studied structurally, morphologically, and photoelectrochemically revealing that CuO|CuBiO|MgO|Pt photocathodes achieve the highest stable photocurrent densities of -200 μA cm for over 3 hours with a Faradaic efficiency of ∼90%.

Acute and chronic toxicity of cationic polyquaterniums of varying charge density and molecular weight to Daphnia magna and Ceriodaphnia dubia.

Cationic polymers have the unique ability to neutralize negative charge with practical applications in personal care products, such as shampoos, conditioners, contact lens solutions, and as flocculants in wastewater treatment processes. Cationic polymers are a diverse class of materials varying in structural composition, cationic charge density (CD), and molecular weight (MW). In this study, we investigated three classes of polyquaternium cationic polymers (PQ-6, PQ-10, PQ-16) of varying CD and MW to characterize their toxicity to aquatic invertebrates.

Control of N-nitrosamine impurities in drug products: Progressing the current CPCA framework and supporting the derivation of robust compound specific acceptable intakes.

The carcinogenic potency categorisation approach (CPCA) has recently been introduced by health authorities. In this model, structural features from recent literature, industry proposals, and analyses performed by health authorities, provide a rapid assessment of the potential acceptable intake (AI) for a nitrosamine impurity. As with other screening regulatory values (such as the ICH M7 Threshold of Toxicological Concern), the CPCA is conservative and can be considered a de minimis risk management framework.

Occupational anaphylaxis: A Position Paper of the German Society of Allergology and Clinical Immunology (DGAKI).

Background: Anaphylaxis is a systemic allergic reaction that is potentially life-threatening. Occupational anaphylaxis is an anaphylaxis that occurs in an occupational context. In this position paper, we propose diagnostic criteria for occupational anaphylaxis and provide an overview of the current state of knowledge in terms of prevalence, triggers, prevention, and management.

Motor threshold parameters do not predict repetitive Transcranial Magnetic Stimulation and intermittent Theta Burst Stimulation outcomes in major depressive disorder.

Background: Repetitive Transcranial Magnetic Stimulation (rTMS) and intermittent Theta Burst Stimulation (iTBS) are non-invasive treatments for major depressive disorder (MDD). While effective, variability in outcomes necessitates identifying predictors of therapeutic response. This study examined whether motor threshold (MT), percentage of motor threshold (%MT), and treatment intensity could predict clinical outcomes in MDD patients undergoing rTMS and iTBS.