Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties.

CNDOL is an a priori, approximate Fockian for molecular wave functions. In this study, we employ several modes of singly excited configuration interaction (CIS) to model molecular excitation properties by using four combinations of the one electron operator terms. Those options are compared to the experimental and theoretical data for a carefully selected set of molecules. The resulting excitons are represented by CIS wave functions that encompass all valence electrons in the system for each excited state energy. The Coulomb-exchange term associated to the calculated excitation energies is rationalized to evaluate theoretical exciton binding energies. This property is shown to be useful for discriminating the charge donation ability of molecular and supermolecular systems. Multielectronic 3D maps of exciton formal charges are showcased, demonstrating the applicability of these approximate wave functions for modeling properties of large molecules and clusters at nanoscales. This modeling proves useful in designing molecular photovoltaic devices. Our methodology holds potential applications in systematic evaluations of such systems and the development of fundamental artificial intelligence databases for predicting related properties.

Society for Cardiovascular Magnetic Resonance 2022 Cases of SCMR case series.

"Cases of SCMR" is a case series on the SCMR website (https://www.scmr.org) for the purpose of education. The cases reflect the clinical presentation, and the use of cardiovascular magnetic resonance (CMR) in the diagnosis and management of cardiovascular disease. The 2022 digital collection of cases are presented in this manuscript.

An Innovative Design for the Vaginal Speculum.

Introduction: The main objective of this study is to evaluate the effectiveness of a newly designed vaginal speculum, the Bouquet Speculum, in-vitro. The setting of this study was at Florida International University and involved four senior students in the Department of Biomedical Engineering. Methods: A phantom vaginal model was used to test three variables of the Bouquet Speculum (Visibility, Pressure and Gynecologic Tools tests). As this was bench-lab testing with simulated models, no human participants were involved in this study. Results: The results of this in-vitro study are as follows: The visibility test demonstrated statistically better visualization of the cervix and the cervical os (sampling area for pap tests) with the Bouquet Speculum over the existing 2-bladed speculum at all intrapelvic pressures; The pressure test demonstrated an equal radial distribution of force, without breakage, across the Bouquet Speculum; The gynecologic tools test demonstrated that the Bouquet Speculum is compatible with the existing speculum and standard gynecologic tools in terms of retrieving samples and accessing the cervical os and entire cervix during gynecologic procedures and screening. Conclusion: The gynecologic screening and procedural value of this innovative change in the design of the vaginal speculum could save hundreds of thousands of lives every year, provide a more comfortable exam for the patient, and result in a more efficient and user-friendly provider experience.

Racial disparities in women with ST elevation myocardial infarction: A National Inpatient Sample review of baseline characteristics, co-morbidities, and outcomes in women with STEMI.

BACKGROUND: A third of the patients admitted with Acute coronary syndrome (ACS) have ST-elevation myocardial infarction (STEMI). Previous studies showed that females with STEMI have higher mortality than men. HYPOTHESIS: There exist significant disparities in outcomes among women of different races presenting with STEMI. METHODS: National inpatient sample (NIS) data was obtained from January 2016 to December 2018 for the hospitalization of female patients with STEMI. We compared outcomes, using an extensive multivariate regression analysis amongst women from different races. Our primary outcome was in-hospital mortality. Secondary outcomes were revascularization use, procedure complications, and healthcare utilization. RESULTS: Of 202 223 female patients with STEMI; 11.3% were African American, 7.4% Hispanic, 2.4% Asian, and 4.3% another race. In-hospital mortality was higher in non-Caucasian groups. African American (adjusted odds ratio [aOR] 1.2; 95% confidence interval [CI]: 1.07-1.30; p < .01) and another race (aOR 1.37; 95% CI: 1.15-1.63; p < .01) had higher odds of mortality when compared with white women. African American (aOR 0.69; 95% CI: 0.62-0.72; p < .01), Hispanics (aOR 0.81; 95% CI: 0.74-0.88; p < .01), and Asian (aOR 0.79; 95% CI: 0.69-0.90; p < .01) had lower odds of percutaneous intervention (PCI) when compared with whites. African Americans had fewer odds of Coronary Artery Bypass Graft (CABG) and use of Mechanical Circulatory Support (MCS) during the index admission. Non-Caucasians had more comorbidities, complications, and healthcare utilization costs. CONCLUSION: There are significant racial disparities in clinical outcomes and revascularization in female patients with STEMI. African American women have a higher likelihood of mortality among the different races. Females from minority groups are also less likely to undergo PCI.

A 25-Year-Old Woman with a High-Risk Large and Occlusive Pulmonary Embolism, Later Diagnosed with Primary Antiphospholipid Syndrome and Hyperhomocysteinemia: A Case Report.

BACKGROUND High-risk pulmonary embolism (PE) occurs when the pulmonary circulation is suddenly occluded by a thrombus and is a life-threatening medical emergency. In young and otherwise healthy individuals, there may be undiagnosed underlying risk factors for PE that require investigation. This report presents the case of a 25-year-old woman admitted as an emergency with a high-risk large and occlusive PE, later diagnosed with primary antiphospholipid syndrome (APS) and hyperhomocysteinemia. CASE REPORT A 25-year-old woman presented with sudden-onset dyspnea after elective cholecystectomy. One year earlier, the patient had lower limb deep vein thrombosis without an identified predisposing cause, and she received anticoagulation for 6 months. On physical examination, she had right leg edema. Laboratory tests revealed elevated levels of troponin, pro-B-type natriuretic peptide, and D-dimer. Computed tomography pulmonary angiography (CTPA) demonstrated a large and occlusive PE, and an echocardiogram showed right ventricular dysfunction. Successful thrombolysis was performed with alteplase. On repeat CTPA, a significant reduction in filling defects in the pulmonary vasculature was observed. The patient evolved uneventfully and was discharged home on a vitamin K antagonist. Due to unprovoked recurrent thrombotic events, suspicion of underlying thrombophilia was raised, and hypercoagulability studies confirmed primary APS and hyperhomocysteinemia. CONCLUSIONS This report presents the case of a life-threatening high-risk PE in a previously healthy young woman and highlights the importance of emergency management followed by investigation and treatment of underlying risk factors for venous thromboembolism, including APS and hyperhomocysteinemia.

Riesgo cardiovascular en pacientes ingresados en un Centro de Atención al diabético

Introducción: La diabetes mellitus constituye un importante problema de salud a nivel mundial. El riesgo cardiovascular en pacientes diabéticos es similar al que se observa en no diabéticos que han sufrido infarto del miocardio. Objetivo: Evaluar el riesgo cardiovascular en pacientes ingresados en el Centro de Atención al Diabético de Pinar del Río. Métodos: Se realizó un estudio observacional descriptivo de corte transversal en pacientes ingresados en el Centro de Atención al Diabético perteneciente al Hospital General Docente Abel Santamaría Cuadrado de la provincia Pinar del Río, en el período comprendido desde el 1ro enero de 2019 hasta el 31 diciembre de 2020. El universo de estudio quedó constituido por 689 pacientes con diagnóstico de diabetes mellitus y la muestra por 527, seleccionados a través de un muestreo probabilístico aleatorio simple, con una frecuencia esperada del 50 %, límite de confianza 5 % y nivel de confianza 95 %. Para el análisis de la información se utilizó el sistema estadístico, Statistical Package for Social Sciences, se aplicó análisis univariado de carácter descriptivo, se utilizaron estadígrafos descriptivos como la distribución de frecuencias absoluta y relativa. Se utilizó la prueba no paramétrica Chi cuadrado para datos cualitativos con un nivel de significación del 95 % (p<0,05). Resultados: En la serie predominó el sexo femenino (53,89 %), grupo etario de 60 a 69 años de edad (31,31 %) y afectados de piel blanca (75,9 %). Se observó preponderancia del sobrepeso/obesidad (74,75 %), seguido de la hipertensión arterial (73,62 %). Prevaleció el riesgo cardiovascular bajo (44,97 %). Conclusiones: La diabetes mellitus es una enfermedad crónica asociada a complicaciones cardiovasculares que produce aumento de riesgo cardiovascular y deterioro de la calidad de vida. Resulta fundamental instaurar estrategias de prevención primaria para detectar riesgos en forma temprana.

Introduction: Diabetes mellitus is a major health problem worldwide. The cardiovascular risk in diabetic patients is similar to that observed in non-diabetics who have suffered myocardial infarction. Objective: To evaluate the cardiovascular risk in patients admitted to the Diabetic Care Center of Pinar del Río. Methods: A cross-sectional descriptive observational study was carried out in patients admitted to the Diabetic Care Center belonging to the Abel Santamaría Cuadrado General Teaching Hospital in Pinar del Río province, in the period from January 1st, 2019 to December 31st, 2020. The universe of study was made up of 689 patients diagnosed with diabetes mellitus and the sample was 527, selected through simple random probabilistic sampling, with an expected frequency of 50 %, confidence limit 5 % and confidence level 95 %. For the analysis of the information, the statistical system, Statistical Package for Social Sciences, was applied, univariate analysis of a descriptive nature was applied, and descriptive statistics were used, such as the distribution of absolute and relative frequencies. The non-parametric Chi square test was used for qualitative data with a significance level of 95 % (p<0.05). Results : The female sex (53.89 %), age group 60 to 69 years of age (31.31 %) and white-skinned patients (75.9 %) predominated in the series. There was a preponderance of overweight/obesity (74.75 %), followed by arterial hypertension (73.62 %). Low cardiovascular risk prevailed (44.97 %). Conclusions: Diabetes Mellitus is a chronic disease associated with cardiovascular complications that causes increased cardiovascular risk and impaired quality of life. It is essential to establish primary prevention strategies to detect risks early.

[What we mean when we talk about "community health". SESPAS Report 2018]. / ¿De qué hablamos cuando hablamos de «salud comunitaria¼? Informe SESPAS 2018.

"Community health" is a widely used term in our context. Although interest in the concept has gradually increased over the past decade, we believe the term is still vague. Therefore, we think a better working definition is required. We conducted a review of the specialized literature on the topic. This was later contrasted with the professional backgrounds of the authors, as well as with the results of field work consisting of interviews with individuals with recognized experience and intellectual authority in the area. As a result, we intend to clarify some core terms to achieve a better working definition of community health; we describe the main theoretical influences on the formation of the term; we propose some levels of community action that could be developed through the primary health care and public health services; and finally, we identify some core aspects that should be taken into account in every action for improving community health.

Wildlife-vehicle collisions in Lanzarote Biosphere Reserve, Canary Islands.

Insular wildlife is more prone to extinction than their mainland relatives. Thus, a basic understanding of non-natural mortality sources is the first step in the development of conservation management plans. The Canary Islands are an important tourist destination due to their unique climate and rich scenery and biodiversity. During the last few decades, there has been significant development of urban areas and busy road networks. However, there have been no studies describing the effects of road mortality on wildlife in this archipelago. We describe the temporal and spatial patterns of wildlife roadkill in Lanzarote (UNESCO Biosphere Reserve), using counts from cars for an entire annual cycle. A total of 666 roadkills were recorded (monthly average of 0.09 birds/km and 0.14 mammals/km) comprising at least 37 species including native birds and introduced mammals. Seasonal abundance, richness and diversity of roadkills showed a high peak during summer months for both mammals and birds. GLMs indicated that accidents (including birds and mammals) have a higher probability of occurrence close to houses and on roads with high speed limits. When analysed separately, mammal kills occurred in sectors with high speed limits, close to houses and in areas surrounded by exotic bushes, while bird roadkills appeared in road sectors with high speed limits, close to houses and low traffic volume. Our findings highlight that roads are a potential threat to native birds in the eastern Canary Islands. Detailed studies on the local population dynamics of highly affected species, such as the Houbara Bustard, Eurasian Stone Curlew, Barn Owl or Southern Shrike, are urgently needed to determine whether these levels of road mortality are sustainable.

Validity, reproducibility, and responsiveness of a twelve-joint simplified power doppler ultrasonographic assessment of joint inflammation in rheumatoid arthritis.

OBJECTIVE: To investigate the validity, reproducibility, and responsiveness of a simplified power Doppler ultrasound (PDUS) assessment of joint inflammation compared with a comprehensive 44-joint PDUS assessment in patients with rheumatoid arthritis (RA) who started therapy with a biologic agent. METHODS: A total of 160 patients with active RA who started a biologic agent were prospectively recruited in 18 Spanish centers. The patients underwent clinical and laboratory assessment and blinded PDUS examination at baseline and 6 months. A PDUS examination of 128 synovial sites in 44 joints was performed. US synovitis and PD signal were semiquantitatively graded from 1 to 3 in all synovial sites. US count and index for synovitis and PD signal were obtained. PDUS intraobserver and interobserver reliability were evaluated. A process of data reduction based on the frequency of involvement of synovial sites by both synovitis and PD signal was conducted. Construct and discriminant validity of a simplified PDUS assessment was investigated. RESULTS: A PDUS simplified assessment including 24 synovial sites from 12 joints detected 100% of patients with synovitis and 91% of patients with PD signal. There was a highly significant correlation between the 44-joint count and index for synovitis and PD signal and the 12-joint count and index for synovitis and PD signal at baseline and 6 months (r = 0.84-0.90, P < 0.0005). The smallest detectable difference was lower than the mean change in simplified PDUS variables. CONCLUSION: A 12-joint PDUS assessment of RA joint inflammation may be a valid, feasible method for multicenter monitoring of therapeutic response to biologic agents.

[HIV prevalence among individuals having had serology performed in eight Spanish cities following heterosexual exposure, 1992-2003]. / Prevalencia de VIH entre las personas de ocho ciudades Españolas que se realizan la serología tras exposiciones heterosexuales, 1992-2003.

BACKGROUND: The human immunodeficiency virus (HIV) epidemic in Spain was characterized throughout the first few years by the predominance of infections among injected drug users (IDU's), but everything currently points to a progressive predominance of sexual transmission. This study is aimed at describing the trend in HIV infection among several heterosexual populations groups and at characterizing the situations in which the infections occurred. METHODS: Descriptive study of the individualls who had the test conducted for the first time at nine HIV diagnosis centres within the 1992-2003 period due to high-risk heterosexual exposures, not including injected drug users. RESULTS: A total of 47,870 individuals had serology performed during the period under study. The HIV prevalence among the population under study dropped from 3.2% to 1.0% (p< 0.001). Among the individuals with an HIV infected partners, the prevalence remained at around 10%, the male users of prostitution having dropped from 1.9% to 1.0% (p=0.049); among women involved in prostitution, from 1.4% to 0.7% (p=0.008); and among all other heterosexuals, having dropped from 1.6% to 1.0% among males (p=0.014) and from 1.1% to 0.7% among women (p=0.012). CONCLUSIONS: The results indicate advances in the control of heterosexual human immunodeficiency virus transmission, mainly among women, although it is necessary to still continue stressing prevention.

Sucralfate therapy in NSAID bleeding gastropathy.

BACKGROUND AND AIMS: A randomized, double-blind, placebo-controlled, multicenter study was conducted to assess the efficacy of 2 g sucralfate suspension in treating gastric mucosal lesions caused by long-term treatment with nonsteroidal anti-inflammatory drugs (NSAIDs). METHODS: Only patients given NSAIDs continuously for at least 2 months with positive fecal occult blood (FOB) and endoscopically confirmed mild to moderate mucosal lesions (Lanza scale, grades 2-4) were included. After 1-week run-in phase, patients were stratified into 2 groups according to gastropathy-related symptoms during the preceding 7 days (symptomatic vs. asymptomatic) and randomized to 2 g (10 mL) of sucralfate suspension or placebo twice a day over a 6-week period. NSAIDs were given according to each patient's dosage schedule and always after meals. RESULTS: Twenty-five patients received sucralfate and 25 received placebo. At the end of the study, 68% (17/25) of patients given sucralfate had no lesions (Lanza grade 0) on endoscopy compared with 35% (8/23) in controls (P = 0.042). The Lanza grades in patients given sucralfate were significantly improved compared with the placebo patients (P = 0.022). CONCLUSIONS: In this target population selected according to positive FOB test and endoscopic evidence of mucosal injury, chronic administration of sucralfate significantly decreased NSAID-induced gastric erosions.