A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals.

The energies and geometries of the lowest lying singlet and triplet states of the four diradicals formed by removing two H atoms from thiophene have been characterized. We utilized the highly correlated, multireference methods configuration interaction with single and double excitations with and without the Pople correction for size-extensivity (MR-CISD+Q and MR-CISD) and averaged quadratic coupled cluster theory (MR-AQCC). CAS (8,7) and CAS (10,8) active spaces involving σ, σ*, π, and π* orbitals were employed along with the cc-pVDZ and cc-pVTZ basis sets.

Proximal remote sensing: an essential tool for bridging the gap between high-resolution ecosystem monitoring and global ecology.

A new proliferation of optical instruments that can be attached to towers over or within ecosystems, or 'proximal' remote sensing, enables a comprehensive characterization of terrestrial ecosystem structure, function, and fluxes of energy, water, and carbon. Proximal remote sensing can bridge the gap between individual plants, site-level eddy-covariance fluxes, and airborne and spaceborne remote sensing by providing continuous data at a high-spatiotemporal resolution. Here, we review recent advances in proximal remote sensing for improving our mechanistic understanding of plant and ecosystem processes, model development, and validation of current and upcoming satellite missions.

Prediction of facial nerve outcomes after surgery for vestibular schwannoma using machine learning-based models: a systematic review and meta-analysis.

Postoperative facial nerve (FN) dysfunction is associated with a significant impact on the quality of life of patients and can result in psychological stress and disorders such as depression and social isolation. Preoperative prediction of FN outcomes can play a critical role in vestibular schwannomas (VSs) patient care. Several studies have developed machine learning (ML)-based models in predicting FN outcomes following resection of VS.

Novel anatomical variations of the internal thoracic artery: implications for coronary artery bypass grafting surgery and autologous breast reconstruction.

The unique structure and location of the internal thoracic artery make it an ideal conduit for coronary artery bypass grafting surgery and autologous breast reconstruction. Variants with different characteristics have the potential to impact surgical success. This report presents a female body donor with a novel bilateral variation of the internal thoracic artery.

Isolation, characterization, and mycostimulation of fungi for the degradation of polycyclic aromatic hydrocarbons at a superfund site.

Mycoremediation is a biological treatment approach that relies on fungi to transform environmental pollutants into intermediates with lower environmental burden. Basidiomycetes have commonly been used as the target fungal phylum for bioaugmentation in mycoremediation, however this phylum has been found to be unreliable when used at scale in the field. In this study, we isolated, characterized, and identified potential polycyclic aromatic hydrocarbon (PAH) degrading fungal isolates from creosote-contaminated sediment in the Elizabeth River, Virginia.

Meibomian Gland Structure and Function in Patients with Demodex Blepharitis.

Purpose: To compare structural and functional measures of meibomian gland dysfunction (MGD) in eyes with moderate to severe Demodex blepharitis (collarette grade 2-4) compared to those with collarette grade 0 (0-2 collarettes).

Setting: Private clinical practice.

Design: Retrospective, single-center, non-interventional, observational study.

Long-Term Family Needs After a Traumatic Brain Injury: A VA TBI Model Systems Study.

Objective: To describe the self-reported needs of family caregivers of service members and veterans (SMVs) with traumatic brain injury (TBI) at 10 to 15 years post-injury and to identify unique predictors of unmet family needs.

Setting: Five Department of Veterans Affairs Polytrauma Rehabilitation Centers.

Participants: A total of 209 family caregivers of SMVs with TBI from the VA TBI Model Systems national database who completed a 10- or 15-year follow-up assessment.

The role of Iowa gambling task performance in response to citalopram treatment for cocaine use disorder.

Cocaine use disorder (CUD) is associated with executive functioning impairments linked to serotonergic function. Previous studies reported efficacy with the selective serotonin reuptake inhibitor citalopram in reducing cocaine use. The current study explored moderation and mediation of citalopram effects on cocaine use by performance across executive function domains.

An Enigmatic Wild Passerine Mortality Event in the Eastern United States.

The ability to rapidly respond to wildlife health events is essential. However, such events are often unpredictable, especially with anthropogenic disturbances and climate-related environmental changes driving unforeseen threats. Many events also are short-lived and go undocumented, making it difficult to draw on lessons learned from past investigations.

Tracking Immunity: An Increased Number of COVID-19 Boosters Increases the Longevity of Anti-RBD and Anti-RBD-Neutralizing Antibodies.

Background/objectives: Since the World Health Organization declared COVID-19 a pandemic in March 2020, the virus has caused multiple waves of infection globally. Arizona State University (ASU), the largest four-year university in the United States, offers a uniquely diverse setting for assessing immunity within a large community. This study aimed to test our hypothesis that an increased number of exposures to SARS-CoV-2 RBD through vaccination/boosters/infection will increase SARS-CoV-2 antibody seroprevalence by increasing the longevity of anti-RBD and anti-RBD-neutralizing antibodies.

The Rise of Pluripotent Stem Cell-Derived Glia Models of Neuroinflammation.

Neuroinflammation is a blanket term that describes the body's complex inflammatory response in the central nervous system (CNS). It encompasses a phenotype shift to a proinflammatory state, the release of cytokines, the recruitment of peripheral immune cells, and a wide variety of other processes. Neuroinflammation has been implicated in nearly every major CNS disease ranging from Alzheimer's disease to brain cancer.

Serious Bacterial Infections and Hepatitis C Virus Among People Who Inject Drugs: A Syndemic or Intertwined Epidemics?

Limited research has examined the possible synergistic interrelationships between serious bacterial infections (SBIs) of the heart (i.e., endocarditis), bone, spine, brain, or joints (e.

Similarities and Differences Between Bullying and Sexual Harassment in Schools: A Social-Ecological Review of Risk and Protective Factors.

In this conceptual article, the authors provide a narrative review of literature on bullying and sexual harassment in K-12 schools framed through a comparative analysis of risk and protective factors for both forms of violence across the social-ecological spectrum. We find that a greater number of studies of both forms of violence focus on student and microsystem-level factors rather than on higher levels of the ecosystem including school boards, neighborhoods, and broader cultural norms. In addition, the research overwhelmingly identifies more risk factors than protective factors.

Bone Marrow Stromal Cells Generate a Pro-Healing Inflammasome When Cultured on Titanium-Aluminum-Vanadium Surfaces with Microscale/Nanoscale Structural Features.

The surface topography and chemistry of titanium-aluminum-vanadium (Ti6Al4V) implants play critical roles in the osteoblast differentiation of human bone marrow stromal cells (MSCs) and the creation of an osteogenic microenvironment. To assess the effects of a microscale/nanoscale (MN) topography, this study compared the effects of MN-modified, anodized, and smooth Ti6Al4V surfaces on MSC response, and for the first time, directly contrasted MN-induced osteoblast differentiation with culture on tissue culture polystyrene (TCPS) in osteogenic medium (OM). Surface characterization revealed distinct differences in microroughness, composition, and topography among the Ti6Al4V substrates.

Reverse Shoulder Arthroplasty Baseplate Stability Is Affected by Bone Density and the Type and Amount of Augmentation.

Objective: This study evaluated the effects of bony increased offset (BIO) and metallic augments (MAs) on primary reverse shoulder arthroplasty (RSA) baseplate stability in cadaveric specimens with variable bone densities.

Methods: Thirty cadaveric specimens were analyzed in an imaging and biomechanical investigation. Computed tomography (CT) scans allowed for preoperative RSA planning and bone density analysis.

External Validation of Deep Learning Models for Classifying Etiology of Retinal Hemorrhage Using Diverse Fundus Photography Datasets.

Retinal hemorrhage (RH) is a significant clinical finding with various etiologies, necessitating accurate classification for effective management. This study aims to externally validate deep learning (DL) models, specifically FastVit_SA12 and ResNet18, for distinguishing between traumatic and medical causes of RH using diverse fundus photography datasets. A comprehensive dataset was compiled, including private collections from South Korea and Virginia, alongside publicly available datasets such as RFMiD, BRSET, and DeepEyeNet.

The case for value-based care in kidney transplantation: insights into geography, growth, and financial models.

Purpose Of Review: Kidney transplantation (KT) is the preferred treatment for end-stage renal disease (ESRD), yet systemic challenges, including geographic disparities, impede equitable access. This review evaluates transplant center activity and regional disparities using recent trends and discusses the potential of value-based care (VBC) models like the proposed Increasing Organ Transplant Access (IOTA) model to address these challenges.

Recent Findings: Analysis of Organ Procurement and Transplantation Network (OPTN) data from 2021 to 2023 identified 185 of 322 transplant centers as potentially eligible for VBC inclusion.

A longitudinal, multimodal palliative care curriculum for obstetrics and gynecology residents.

Objectives: To incorporate a longitudinal palliative care curriculum into obstetrics and gynecology (Ob-Gyn) residency that could become standardized to ensure competencies in providing end of life (EOL) care.

Methods: This was a prospective cohort study conducted among 23 Ob-Gyn residents at a tertiary training hospital from 2021 to 2022. A curriculum intervention was provided via lecture and simulation.

Glial activation and nociceptive neuropeptide elevation associated with the development of chronic post-traumatic headache following repetitive blast exposure.

Chronic headaches and pain are prevalent in those who are exposure to blast events, yet there is a gap in fundamental data that identifies the pathological mechanism for the chronification of pain. Blast-related post-traumatic headaches (PTH) are understudied and chronic pain behaviors in preclinical models can be vital to help elucidate PTH mechanisms. The descending pain modulatory system controls pain perception and involves specific brain regions such as the cortex, thalamus, pons, and medulla.

Evaluating accuracy and reproducibility of large language model performance on critical care assessments in pharmacy education.

Background: Large language models (LLMs) have demonstrated impressive performance on medical licensing and diagnosis-related exams. However, comparative evaluations to optimize LLM performance and ability in the domain of comprehensive medication management (CMM) are lacking. The purpose of this evaluation was to test various LLMs performance optimization strategies and performance on critical care pharmacotherapy questions used in the assessment of Doctor of Pharmacy students.

Maintenance of Genetic Diversity Despite Population Fluctuations in the Lesser Prairie-Chicken ().

Assessments of genetic diversity, structure, history, and effective population size ( ) are critical for the conservation of imperiled populations. The lesser prairie-chicken () has experienced declines due to habitat loss, degradation, and fragmentation in addition to substantial population fluctuations with unknown effects on genetic diversity. Our objectives were to: (i) compare genetic diversity across three temporally discrete sampling periods (2002, 2007-2010, and 2013-2014) that are characterized by low or high population abundance; (ii) examine genetic diversity at lek and lek cluster spatial scales; (ii) identify potential bottlenecks and characterize genetic structure and relatedness; and (iii) estimate the regional .

EquiRank: Improved protein-protein interface quality estimation using protein language-model-informed equivariant graph neural networks.

Quality estimation of the predicted interaction interface of protein complex structural models is not only important for complex model evaluation and selection but also useful for protein-protein docking. Despite recent progress fueled by symmetry-aware deep learning architectures and pretrained protein language models (pLMs), existing methods for estimating protein complex quality have yet to fully exploit the collective potentials of these advances for accurate estimation of protein-protein interface. Here we present EquiRank, an improved protein-protein interface quality estimation method by leveraging the strength of a symmetry-aware E(3) equivariant deep graph neural network (EGNN) and integrating pLM embeddings from the pretrained ESM-2 model.

Daily oscillation of the excitation/inhibition ratio is disrupted in two mouse models of autism.

Alterations to the excitation/inhibition (E/I) ratio are postulated to underlie behavioral phenotypes in autism spectrum disorder (ASD) patients and mouse models. However, in wild type mice the E/I ratio is not constant, but instead oscillates across the 24-h day. Therefore, we tested whether E/I regulation, rather than the overall E/I ratio, is disrupted in two ASD-related mouse lines: KO and BTBR, models of syndromic and idiopathic ASD, respectively.

A Longitudinal Investigation of Trans and Nonbinary Youth Identity: Individual Processes and Family Agreement in the Trans Teen and Family Narratives Project.

Few studies have focused on transgender and nonbinary youths' (TNBY) gender development and even less well understood is how family members understand TNBY identity. The current study investigated: a) how TNBY describe their gender identity over time, and b) how family members understand TNBY gender identity over time. The baseline sample included 96 members of 33 families (33 TNBY, 48 cisgender caregivers, 15 siblings) from the United States; 30 families continued after Wave 1.