Impact of magnetic and electric fields on the free energy to form a calcium carbonate ion-pair.

Electromagnetic fields are used in water treatment and desalination to regulate scale formation and extend the lifetime of membranes. External electric and magnetic fields can promote or suppress mineral nucleation and growth. However, the molecular-scale mechanisms of such processes remain unknown. Computing the free energies needed to form ion pairs under external fields provides important insights into understanding the elemental steps during the initial formation of mineral scales. In this paper, we used molecular dynamics combined with metadynamics simulations to investigate the free energies of forming the [Ca-CO3]0 ion pair, a fundamental building block of carbonate scales, under a range of magnetic (up to 10 T) and electric (up to 10 V m-1) fields in water. The presence of constant magnetic or electric fields favored the ion pairing reaction and lowered the free energies by up to 3% to 6%. The internal energy and entropic components of the free energy showed significant changes and exhibited non-linear behavior with increasing field strength. The [Ca-CO3]0 ion pairing is an entropy-driven process in the absence of an external field, but the mechanism shifts to an internal energy-driven process under selected external fields, suggesting possible changes in the nucleation pathways.

A taxonomic revision of Parachela with descriptions of two new species (Cypriniformes: Xenocyprididae).

The taxonomy of the Parachela-Oxygaster-Macrochirichthys clade of Xenocyprididae has been confused since the original descriptions of Parachela oxygastroides and Parachela hypophthalmus in the mid-19th century. The confusion seems attributable to the substantial intraspecific variation in color and other morphological characteristics of species of Oxygaster and Parachela. Morphological data on 401 specimens from throughout the range of Parachela and molecular phylogenetic analyses indicate that six available species names for Parachela are valid: Parachela cyanea, P. hypophthalmus, Parachela ingerkongi, Parachela johorensis (removed from the synonymy of P. oxygastroides), P. oxygastroides, and Parachela williaminae. In addition, two new species of Parachela, Parachela melanosticta and Parachela microlepis, are described. Chela pointoni is a synonym of P. oxygastroides, not a valid species of Oxygaster as previously hypothesized, and Parachela maculicauda is a synonym of Parachela johorensis. Considerable morphological and genetic variation is present in all well-sampled species of Parachela.

Identification of sex attractants for 6 North American click beetle species in 4 tribes of the Elateridae.

We describe experiments that evaluated potential sex pheromone components for 6 North American click beetle species. In field trials in Illinois, South Carolina, North Carolina, and Virginia, male beetles of 6 species were strongly attracted to geranyl butyrate (Agriotes insanus Candèze), 5-methylhexyl (Z)-4-decenoate (Elater abruptus Say), 11-dodecenyl butyrate (Melanotus ignobilis Melsheimer), and limoniic acid (Gambrinus griseus [Palisot de Beauvois], G. rudis [Brown], and G. plebejus [Say]). Collection of E. abruptus in South Carolina represents a new state record. For each species, capture rates varied geographically and temporally, possibly due to differences in local population densities and regional phenology, or the efficiency of different trap designs or trap placement. Structural similarities were observed between the tested attractants and previously identified pheromones of closely related species. For example, males of A. insanus were attracted to geranyl butyrate, analogous to the terpenoid ester pheromones of a number of European congeners. The attractant for E. abruptus, 5-methylhexyl (Z)-4-decenoate, is an analog of the pheromone of its European congener E. ferrugineus L., and the attractant for M. ignobilis, 11-dodecenyl butyrate, is an analog of attractants of European and Asian congeners. Attraction of the 3 Gambrinus species to limoniic acid parallels recent reports of attraction of the congeners G. seminudus (Van Dyke) and G. ursinus (Van Dyke) to this compound, which was originally identified from closely related species of Limonius. Full identifications of additional sex pheromones for elaterid species should provide a more complete picture of the diversities/similarities of the semiochemicals mediating reproductive behaviors of this biologically diverse and taxonomically complex group.

Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-ß) Agonist for the Treatment of MASH.

Agonists of thyroid hormone receptor ß (THR-ß) decreased LDL cholesterol (LDL-C) and triglyceride (TG) levels in human clinical trials for patients with dyslipidemia. The authors present the highly potent and selective compound ALG-055009 (14) as a potential best in class THR-ß agonist. The high metabolic stability and good permeability translated well in vivo to afford a long in vivo half-life pharmacokinetic profile with limited liability for DDI, and it overcomes certain drawbacks seen in recent clinical candidates.

Emergency department referrals for CT imaging of extremity soft tissue infection: before and during the COVID-19 pandemic.

Objectives: To evaluate the incidence and spectrum of findings in patients referred for CT imaging of extremity soft tissue infection in the adult emergency department (ED) setting before and during the COVID-19 pandemic. Methods: Two hundred thirteen CT exams in the pre-COVID cohort (February 1, 2018-January 31, 2020) and 383 CT exams in the COVID cohort (February 1, 2020-January 31, 2022) were evaluated in this multicentre, retrospective study. Demographic information and clinical histories were collected, along with regional data on COVID-19 hospitalizations and deaths. Results: Comparable age and sex distribution was found in the pre-COVID (average age of 53.5 years; male: female ratio of 71:29) and COVID (average age of 54.6 years; male: female ratio of 69:31) cohorts. The frequency of reported clinical risk factors (diabetes mellitus, injected drug use, prior surgery, animal bite) was not significantly different between the two cohorts. Findings of simultaneous involvement of both superficial and deep soft tissue infection on CT imaging were significantly higher in the COVID cohort (53.4%) than in the pre-COVID cohort (33.7%). CT findings of phlegmon (49.1% vs 22.1%), ulcers (48.8% vs 30%), osteomyelitis (21.7% vs 13.1%), as well as localized (18.8% vs 11.7%) and extensive (3.7% vs 2.3%) soft tissue gas were significantly more common in the COVID cohort than in the pre-COVID cohort. Conclusions: During the COVID-19 pandemic, the number of ED CT exams for the evaluation of extremity soft tissue infection increased, with this imaging also showing more advanced disease. Pandemic-related modifications to human behaviour and re-distribution of healthcare resources may underlie these observed changes. Advances in knowledge: This multi-centre study shows an increase in extremity soft tissue infection presenting to the ED during the pandemic. This finding is important for future pandemic preparations, as it can aid in the decision-making process around resource allocation.

Exposure to Per- and Polyfluoroalkyl Substances and Timing of Puberty in Norwegian Boys: Data from the Bergen Growth Study 2.

Per- and polyfluoroalkyl substances (PFAS) are widespread environmental contaminants with endocrine-disruptive properties. Their impact on puberty in boys is unclear. In this cross-sectional study, we investigated the association between PFAS exposure and pubertal timing in 300 Norwegian boys (9-16 years), enrolled in the Bergen Growth Study 2 during 2016. We measured 19 PFAS in serum samples and used objective pubertal markers, including ultrasound-measured testicular volume (USTV), Tanner staging of pubic hair development, and serum levels of testosterone, luteinizing hormone, and follicle-stimulating hormone. In addition to logistic regression of single pollutants and the sum of PFAS, Bayesian and elastic net regression were used to estimate the contribution of the individual PFAS. Higher levels of the sum of perfluorooctanesulfonic acid (PFOS), perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), and perfluorohexanesulfonic acid (PFHxS) were associated with later pubertal onset according to USTV (age-adjusted odds ratio (AOR): 2.20, 95% confidence interval (CI): 1.29, 3.93) and testosterone level (AOR: 2.35, 95% CI: 1.34, 4.36). Bayesian modeling showed that higher levels of PFNA and PFHxS were associated with later pubertal onset by USTV, while higher levels of PFNA and perfluoroundecanoic acid (PFUnDA) were associated with later pubertal onset by testosterone level. Our findings indicate that certain PFAS were associated with delay in male pubertal onset.

Thought for food: the endothermic brain hypothesis.

The evolution of whole-body endothermy occurred independently in dinosaurs and mammals and was associated with some of the most significant neurocognitive shifts in life's history. These included a 20-fold increase in neurons and the evolution of new brain structures, supporting similar functions in both lineages. We propose the endothermic brain hypothesis, which holds that elaborations in endotherm brains were geared towards increasing caloric intake through efficient foraging. The hypothesis is grounded in the intrinsic coupling of cognition and organismic self-maintenance. We argue that coevolution of increased metabolism and new forms of cognition should be jointly investigated in comparative studies of behaviors and brain anatomy, along with studies of fossil species. We suggest avenues for such research and highlight critical open questions.

Mass incarceration as a driver of the tuberculosis epidemic in Latin America and projected impacts of policy alternatives: A mathematical modeling study.

Background: Tuberculosis incidence is increasing in Latin America, where the incarcerated population has nearly quadrupled since 1990. The full impact of incarceration on the tuberculosis epidemic, accounting for effects beyond prisons, has never been quantified. Methods: We calibrated dynamic compartmental transmission models to historical and contemporary data from Argentina, Brazil, Colombia, El Salvador, Mexico, and Peru, which comprise approximately 80% of the region's incarcerated population and tuberculosis burden. Using historical counterfactual scenarios, we estimated the transmission population attributable fraction (tPAF) for incarceration and the excess population-level burden attributable to increasing incarceration prevalence since 1990. We additionally projected the impact of alternative incarceration policies on future population tuberculosis incidence. Findings: Population tuberculosis incidence in 2019 was 29.4% (95% UI, 23.9-36.8) higher than expected without the rise in incarceration since 1990, corresponding to 34,393 (95% UI, 28,295-42,579) excess incident cases across countries. The incarceration tPAF in 2019 was 27.2% (95% UI, 20.9-35.8), exceeding estimates for other risk factors like HIV, alcohol use disorder, and undernutrition. Compared to a scenario where incarceration rates remain stable at current levels, a gradual 50% reduction in prison admissions and duration of incarceration by 2034 would reduce population tuberculosis incidence by over 10% in all countries except Mexico. Interpretation: The historical rise in incarceration in Latin America has resulted in a large excess tuberculosis burden that has been under-recognized to-date. International health agencies, ministries of justice, and national tuberculosis programs should collaborate to address this health crisis with comprehensive strategies, including decarceration. Funding: National Institutes of Health.

Attentional selection and communication through coherence: Scope and limitations.

Synchronous neural oscillations are strongly associated with a variety of perceptual, cognitive, and behavioural processes. It has been proposed that the role of the synchronous oscillations in these processes is to facilitate information transmission between brain areas, the 'communication through coherence,' or CTC hypothesis. The details of how this mechanism would work, however, and its causal status, are still unclear. Here we investigate computationally a proposed mechanism for selective attention that directly implicates the CTC as causal. The mechanism involves alpha band (about 10 Hz) oscillations, originating in the pulvinar nucleus of the thalamus, being sent to communicating cortical areas, organizing gamma (about 40 Hz) oscillations there, and thus facilitating phase coherence and communication between them. This is proposed to happen contingent on control signals sent from higher-level cortical areas to the thalamic reticular nucleus, which controls the alpha oscillations sent to cortex by the pulvinar. We studied the scope of this mechanism in parameter space, and limitations implied by this scope, using a computational implementation of our conceptual model. Our results indicate that, although the CTC-based mechanism can account for some effects of top-down and bottom-up attentional selection, its limitations indicate that an alternative mechanism, in which oscillatory coherence is caused by communication between brain areas rather than being a causal factor for it, might operate in addition to, or even instead of, the CTC mechanism.

Promoting sexual well-being of college students through wellness programs.

Objective: Despite a growing emphasis on holistic student wellness in higher education, sexual well-being often remains neglected as part of wellness. We conducted a website content review to assess the broad utilization of wellness models and the specific integration of sexual well-being into wellness programs. Methods and results: Targeting 51 flagship and top 50 private institutions, we found that 82.35% of flagships and 64.00% of top private institutions mentioned some form of the wellness model. However, integration of the wellness model into on-campus or local resources varied considerably across institutions. Importantly, only two institutions (both private) addressed sexuality as its own unique dimension of wellness. Conclusion: The current study underscores the need for wellness programs to include a focus on sexual well-being. Skills and knowledge that college students learn through wellness programs can help them make better health decisions and improve their quality of life while in college and beyond.

Parental Report of Indoor Air Pollution Is Associated with Respiratory Morbidities in Bronchopulmonary Dysplasia.

OBJECTIVE: To determine the association between indoor air pollution and respiratory morbidities in children with bronchopulmonary dysplasia (BPD) recruited from the multicenter BPD Collaborative. STUDY DESIGN: A cross-sectional study was performed among participants <3 years old in the BPD Collaborative Outpatient Registry. Indoor air pollution was defined as any reported exposure to tobacco or marijuana smoke, electronic cigarette emissions, gas stoves, and/or wood stoves. Clinical data included acute care use and chronic respiratory symptoms in the past 4 weeks. RESULTS: A total of 1011 participants born at a mean gestational age of 26.4 ± 2.2 weeks were included. Most (66.6%) had severe BPD. More than 40% of participants were exposed to ≥1 source of indoor air pollution. The odds of reporting an emergency department visit (OR, 1.7; 95% CI, 1.18-2.45), antibiotic use (OR, 1.9; 95% CI, 1.12-3.21), or a systemic steroid course (OR, 2.18; 95% CI, 1.24-3.84) were significantly higher in participants reporting exposure to secondhand smoke (SHS) compared with those without SHS exposure. Participants reporting exposure to air pollution (not including SHS) also had a significantly greater odds (OR, 1.48; 95% CI, 1.08-2.03) of antibiotic use as well. Indoor air pollution exposure (including SHS) was not associated with chronic respiratory symptoms or rescue medication use. CONCLUSIONS: Exposure to indoor air pollution, especially SHS, was associated with acute respiratory morbidities, including emergency department visits, antibiotics for respiratory illnesses, and systemic steroid use.

Chemical profiling of paper recycling grades using GC-MS and LC-MS: An exploration of contaminants and their possible sources.

Paper packaging made with recycled paperboard is used to pack various consumer goods that can include amongst others, electronics, toys, food, cosmetics, and stationery. Chemical profiling of the various paper recycling grades used in the manufacture of recycled paperboard was undertaken to investigate possible sources of contaminants and their propagation in the paper recycling chain. Pre-consumer, retail and post-consumer paper-based materials were collected at papermills, corrugators, grocery stores, household waste, solid waste disposal sites and recycling facilities. In the GC-MS analysis, phthalates, long-chain aliphatic compounds, and fatty acids were the most commonly detected compounds whilst phthalates and bisphenols featured most prevalently in the LC-MS analysis. The factors that were identified as likely contributors to the detection of the different chemical compounds included the presence of wood derivatives, the use of certain chemical additives during manufacturing, and exposure of paper to contaminants from consumers, other goods and the environment. Waste mingling, recovery, sorting and reprocessing into recycled paper were also shown to influence the chemical profile of paper materials. Sparse partial least squares-discriminate analysis indicated that newspaper and office paper had unique chemical constituents, whilst cartons were shown to have higher variability. By looking at key stages of paper recycling, this study showed that the possible persistence and transformation of chemical compounds in additives must be evaluated when considering the recyclability of paper-based materials. Further, it highlighted that different separation approaches may be required to reduce contaminant exposure opportunities in post-consumer paper materials.

Evaluating AI Proficiency in Nuclear Cardiology: Large Language Models take on the Board Preparation Exam.

Background: Previous studies evaluated the ability of large language models (LLMs) in medical disciplines; however, few have focused on image analysis, and none specifically on cardiovascular imaging or nuclear cardiology. Objectives: This study assesses four LLMs - GPT-4, GPT-4 Turbo, GPT-4omni (GPT-4o) (Open AI), and Gemini (Google Inc.) - in responding to questions from the 2023 American Society of Nuclear Cardiology Board Preparation Exam, reflecting the scope of the Certification Board of Nuclear Cardiology (CBNC) examination. Methods: We used 168 questions: 141 text-only and 27 image-based, categorized into four sections mirroring the CBNC exam. Each LLM was presented with the same standardized prompt and applied to each section 30 times to account for stochasticity. Performance over six weeks was assessed for all models except GPT-4o. McNemar's test compared correct response proportions. Results: GPT-4, Gemini, GPT4-Turbo, and GPT-4o correctly answered median percentiles of 56.8% (95% confidence interval 55.4% - 58.0%), 40.5% (39.9% - 42.9%), 60.7% (59.9% - 61.3%) and 63.1% (62.5 - 64.3%) of questions, respectively. GPT4o significantly outperformed other models (p=0.007 vs. GPT-4Turbo, p<0.001 vs. GPT-4 and Gemini). GPT-4o excelled on text-only questions compared to GPT-4, Gemini, and GPT-4 Turbo (p<0.001, p<0.001, and p=0.001), while Gemini performed worse on image-based questions (p<0.001 for all). Conclusion: GPT-4o demonstrated superior performance among the four LLMs, achieving scores likely within or just outside the range required to pass a test akin to the CBNC examination. Although improvements in medical image interpretation are needed, GPT-4o shows potential to support physicians in answering text-based clinical questions.

Inequality in high-cost borrowing and unemployment insurance generosity in US states during the COVID-19 pandemic.

US consumers may turn to the private market for credit when income and government benefits fall short. The most vulnerable consumers have access only to the highest-cost loans. Prior research on trade-offs of credit with government welfare support cannot distinguish between distinct forms of unsecured credit due to data limitations. Here we provide insight on credit-welfare state trade-offs vis-à-vis unemployment insurance generosity by leveraging a large sample of credit data that allow us to separate credit cards, personal loans and alternative financial services loans and to analyse heterogeneity in credit use by household income. We find that more generous state unemployment insurance benefits were associated with a lower probability of high-cost credit use during the first seven quarters of the coronavirus disease 2019 (COVID-19) pandemic. This inverse association was concentrated among consumers living in low-income households. Our results support theories that public benefits are inversely associated with the use of costly credit.

Suspect screening of per-and polyfluoroalkyl substances in paper by selective and non-selective extraction with UHPLC-Q orbitrap MS.

Non-targeted analysis and suspect screening of per- and polyfluoroalkyl substances (PFAS) in various matrices have gained traction with advancements in accurate mass analytical instruments. This study employed ultra-high performance liquid chromatography coupled to quadrupole orbitrap high-resolution mass spectrometry for PFAS suspect screening of paper grades used in the paper recycling chain. The samples were prepared using two extraction techniques; selective accelerated solvent extraction with weak anionic exchange solid-phase extraction and non-selective ultrasonic-assisted extraction. A suspect screening protocol was established to tentatively identify suspected PFAS against spectral databases using a systematic approach of peak filtering and study-specific thresholds for reporting, linked to a confidence level. The possible prevalence of previously unreported PFAS in several paper materials across the various collection sites in the paper recycling chain was inferred by the common detection of short-chain polyfluoroalkyl ketones and diketones in the paper recycling chain. The suspect screening tentatively identified 41 unique PFAS, with 3 common to both pre-treatment techniques. The detection of unique PFAS by the two sample pre-treatment techniques highlighted the significance of both selective and non-selective extraction in PFAS screening endeavours. Further, it showed the importance of understanding the acquisition mechanisms employed in mass spectrometry where data-dependent acquisition triggered fragmentation in certain identified compounds, and not in others. The tentatively identified PFAS indicated that there were several previously unreported PFAS in the paper recycling chain and that additional studies were required to investigate their abundance, possible persistence, bioaccumulation and toxicity, in relation to their functional groups and carbon chains.

Phase 1 study of the pharmacokinetics and clinical proof-of-concept activity of a biofilm-disrupting human monoclonal antibody in patients with chronic prosthetic joint infection of the knee or hip.

We report the results of a first-in-human phase 1 clinical study to evaluate TRL1068, a native human monoclonal antibody that disrupts bacterial biofilms with broad-spectrum activity against both Gram-positive and Gram-negative species. The study population consisted of patients with chronic periprosthetic joint infections (PJIs) of the knee or hip, including both monomicrobial and polymicrobial infections, that are highly resistant to antibiotics due to biofilm formation. TRL1068 was administered via a single pre-surgical intravenous infusion in three sequentially ascending dose groups (6, 15, and 30 mg/kg). Concomitant perioperative antibiotics were pathogen-targeted as prescribed by the treating physician. In this double-blinded study, 4 patients were randomized to receive placebo and 11 patients to receive TRL1068 on day 1, as well as targeted antibiotics for 7 days prior to the scheduled removal of the infected implant and placement of an antibiotic-eluting spacer as the first stage of the standard of care two-stage exchange arthroplasty. No adverse events attributable to TRL1068 were reported. TRL1068 serum half-life was 15-18 days. At day 8, the concentration in synovial fluid was approximately 60% of the blood level and thus at least 15-fold above the threshold for biofilm-disrupting activity in vitro. Explanted prostheses were sonicated to release adherent bacteria for culture, with elimination of the implant bacteria observed in 3 of the 11 patients who received TRL1068, which compares favorably to prior PJI treatments. None of the patients who received TRL1068 had a relapse of the original infection by the end of the study (day 169). CLINICAL TRIALS: This study is registered with ClinicalTrials.gov as NCT04763759.

Analysis of the privacy-performance tradeoff of reference testing in Forensic Investigative Genetic Genealogy.

During an investigation using Forensic Investigative Genetic Genealogy, which is a novel approach for solving violent crimes and identifying human remains, reference testing-when law enforcement requests a DNA sample from a person in a partially constructed family tree-is sometimes used when an investigation has stalled. Because the people considered for a reference test have not opted in to allow law enforcement to use their DNA profile in this way, reference testing is viewed by many as an invasion of privacy and by some as unethical. We generalize an existing mathematical optimization model of the genealogy process by incorporating the option of reference testing. Using simulated versions of 17 DNA Doe Project cases, we find that reference testing can solve cases more quickly (although many reference tests are required to substantially hasten the investigative process), but only rarely (<1%) solves cases that cannot otherwise be solved. Through a mixture of mathematical and computational analysis, we find that the most desirable people to test are at the bottom of a path descending from an ancestral couple that is most likely to be related to the target. We also characterize the rare cases where reference testing is necessary for solving the case: when there is only one descending path from an ancestral couple, which precludes the possibility of identifying an intersection (e.g., marriage) between two descendants of two different ancestral couples.