RESUMEN
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.
RESUMEN
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.
Asunto(s)
Síndrome Antifosfolípido , Hiperhomocisteinemia , Embolia Pulmonar , Trombosis de la Vena , Femenino , Humanos , Adulto , Síndrome Antifosfolípido/complicaciones , Hiperhomocisteinemia/complicaciones , Embolia Pulmonar/etiología , Trombosis de la Vena/etiología , Activador de Tejido PlasminógenoRESUMEN
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.