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OBJECTIVES/GOALS: The objective for this study was to evaluate the associations between weight stigma and symptoms of depression, anxiety, and binge eating following bariatric surgery. METHODS/STUDY POPULATION: Bariatric surgery is the leading evidence-based treatment for severe obesity; however, mental health challenges can compromise long-term improvements in quality of life. Weight stigma is a major contributor to mental health challenges for individuals with obesity generally; however, the role of weight stigma post-operatively after significant weight loss is poorly understood.148 patients underwent pre-bariatric surgery psychological evaluation and completed a follow-up study approximately 2 years after. Measures included the Stigmatizing Situations Inventory-Brief, Patient Health Questionnaire, Generalized Anxiety Questionnaire, and Binge Eating Scale. RESULTS/ANTICIPATED RESULTS: In regression models controlling for demographic covariates (sex, age, education, race), body mass index, and baseline measure of each outcome (e.g., depressive symptoms pre-surgery in models predicting depression post-surgery), weight stigma was independently associated with depression (p=.023), anxiety (p

To simulate a 200 nm photoexcitation in cyclobutanone to the n-3s Rydberg state, classical trajectories were excited from a Wigner distribution to the singlet state manifold based on excitation energies and oscillator strengths. Twelve singlet and 12 triplet states are treated using TD-B3LYP-D3/6-31+G** for the electronic structure, and the nuclei are propagated with the Tully surface hopping method. Using time-dependent density functional theory, we are able to predict the bond cleavage that takes place on the S1 surface as well as the ultrafast deactivation from the Rydberg n-3s state to the nπ*. After showing that triplet states and higher-lying singlet states do not play any crucial role during the early dynamics (i.e., the first 300 fs), the SA(6)-CASSCF(8,11)/aug-cc-pVDZ method is used as an electronic structure and the outcome of the non-adiabatic dynamic simulations is recomputed. Gas-phase ultrafast electron diffraction spectra are computed for both electronic structure methods, showing significantly different results. [ABSTRACT FROM AUTHOR]

Abstract Autocrine and paracrine signaling regulating adipogenesis in white adipose tissue remains largely unclear. Here we used single-cell RNA-sequencing (RNA-seq) and single nuclei RNA-sequencing (snRNA-seq) to identify markers of adipose progenitor cells (APCs) and adipogenic modulators in visceral adipose tissue (VAT) of humans and mice. Our study confirmed the presence of major cellular clusters in humans and mice and established important sex and diet-specific dissimilarities in cell proportions. Here we show that bone morphogenetic protein (BMP)-binding endothelial regulator (BMPER) is a conserved marker for APCs and adipocytes in VAT in humans and mice. Further, BMPER is highly enriched in lineage negative stromal vascular cells and its expression is significantly higher in visceral compared to subcutaneous APCs in mice. BMPER expression and release peaked by day four post-differentiation in 3T3-L1 preadipocytes. We reveal that BMPER is required for adipogenesis both in 3T3-L1 preadipocytes and in mouse APCs. Together, this study identified BMPER as a positive modulator of adipogenesis.

Introdução/Objetivos: Pacientes internados por COVID-19 podem apresentar, na evolução da doença, lesão endotelial, aumento da viscosidade do sangue e estase por redução de mobilidade. Entre eles, há maior incidência de tromboembolismo venoso (TEV) e é preciso selecionar quem pode se beneficiar da tromboprofilaxia estendida após a alta hospitalar. O escore IMPROVE-DD é útil nesta avaliação, mas foi principalmente estudado nos Estados Unidos. Assim, este estudo correlaciona a incidência de TEV intrahospitalar em pacientes com COVID-19 de um hospital brasileiro com o uso do escore IMPROVE-DD, e analisa o mesmo escore como preditor de risco de gravidade e óbito. Métodos: estudo retrospectivo entre pacientes com COVID-19 e suspeita de TEV, internados entre março de 2020 e setembro de 2021 em hospital privado de Salvador e que realizaram ultrassonografia com doppler venoso dos membros inferiores ou superiores, ou angiotomografia de tórax. Foram utilizadas análises estatísticas descritivas e teste chi-quadrado para identificar fatores associados ao risco de TEV, gravidade e óbito. Resultados: Foram incluídos 517 pacientes. A incidência de TEV intrahospitalar foi 18,6% (96 casos). As seguintes correlações foram encontradas em pacientes com TEV: 36,5% eram obesos, 76% estavam em Unidade de Terapia Intensiva, 45,9% em uso de cateter venoso central (CVC), 69,8% internados por mais de 7 dias, 43,8% possuíam alterações tomográficas extensas em pulmão, 46,9% fizeram uso de ventilação mecânica (VM), 94% tinham D-dímero ≥ duas vezes o limite superior da normalidade e 75% apresentaram pontuação ≥4 no escore IMPROVE-DD (alto risco). À exceção de obesidade (p = 0,03), todas as correlações citadas tiveram p < 0,0001. A taxa de mortalidade foi de 14,1%, maior entre pacientes com TEV (24%) que sem TEV (11,9%), p = 0,003. Além do risco de TEV, o escore IMPROVE-DD ≥4 conseguiu identificar pacientes graves, com maior risco de envolvimento pulmonar extenso, de necessidade de CVC e de VM (p < 0,0001). Do total de 73 óbitos da amostra, 93% tiveram IMPROVE-DD ≥ 4 (p < 0,0001). Conclusão: Pacientes com TEV morreram mais do que aqueles sem TEV. O escore IMPROVE-DD mostrou-se útil para identificar quem poderia ser beneficiado com a tromboprofilaxia estendida. O mesmo escore também foi capaz de prever gravidade e óbito. Estratificar riscos e chances de mortalidade dos pacientes de COVID-19 é necessário para que os serviços de saúde montem suas estratégias terapêuticas e de atendimento.

This perspective offers an overview of the applications of the exact factorization of the electron–nuclear wavefunction to the domain of theoretical photochemistry, where the aim is to gain insights into the ultrafast dynamics of molecular systems via simulations of their excited-state dynamics beyond the Born–Oppenheimer approximation. The exact factorization offers an alternative viewpoint to the Born–Huang representation for the interpretation of dynamical processes involving the electronic ground and excited states as well as their coupling through the nuclear motion. Therefore, the formalism has been used to derive algorithms for quantum molecular-dynamics simulations where the nuclear motion is treated using trajectories and the electrons are treated quantum mechanically. These algorithms have the characteristic features of being based on coupled and on auxiliary trajectories, and have shown excellent performance in describing a variety of excited-state processes, as this perspective illustrates. We conclude with a discussion on the authors' point of view on the future of the exact factorization. [ABSTRACT FROM AUTHOR]

Full multiple spawning (FMS) offers an exciting framework for the development of strategies to simulate the excited-state dynamics of molecular systems. FMS proposes to depict the dynamics of nuclear wavepackets by using a growing set of traveling multidimensional Gaussian functions called trajectory basis functions (TBFs). Perhaps the most recognized method emanating from FMS is the so-called ab initio multiple spawning (AIMS). In AIMS, the couplings between TBFs—in principle exact in FMS—are approximated to allow for the on-the-fly evaluation of required electronic-structure quantities. In addition, AIMS proposes to neglect the so-called second-order nonadiabatic couplings and the diagonal Born–Oppenheimer corrections. While AIMS has been applied successfully to simulate the nonadiabatic dynamics of numerous complex molecules, the direct influence of these missing or approximated terms on the nonadiabatic dynamics when approaching and crossing a conical intersection remains unknown to date. It is also unclear how AIMS could incorporate geometric-phase effects in the vicinity of a conical intersection. In this work, we assess the performance of AIMS in describing the nonadiabatic dynamics through a conical intersection for three two-dimensional, two-state systems that mimic the excited-state dynamics of bis(methylene)adamantyl, butatriene cation, and pyrazine. The population traces and nuclear density dynamics are compared with numerically exact quantum dynamics and trajectory surface hopping results. We find that AIMS offers a qualitatively correct description of the dynamics through a conical intersection for the three model systems. However, any attempt at improving the AIMS results by accounting for the originally neglected second-order nonadiabatic contributions appears to be stymied by the hermiticity requirement of the AIMS Hamiltonian and the independent first-generation approximation. [ABSTRACT FROM AUTHOR]