Thermodynamics of OHgX, XHgOH, XHgOCl, XHgOBr, and HOHgY Gaseous Oxidized Mercury Molecules from Isodesmic, Isogyric, and Atomization Work Reactions (X = Halogen, Y = OH, OCl, OBr).

Isogyric, isodesmic, and atomization reactions were used to determine the standard enthalpies of formation (Δ H°f) for a series of OHgX, XHgOH, XHgOCl, XHgOBr, and HOHgY molecules (X = halogen, Y = OH, OCl, OBr) from single-point CCSD(T)/AV nZ//M06-2X/AVTZ ( n = D, T, Q) energies extrapolated to the complete basis set limit using a three-point mixed Gaussian exponential scheme. Standard enthalpies of formation from isogyric and isodesmic reactions are in good agreement with experimental data and values from higher level calculations but at significantly reduced computation time. The established template work reaction scheme and methodology can potentially be extended for Hg species outside the scope of this work. The standard error for the Δ H°f for the studied molecules averaged over several isodesmic/isogyric reactions is 1.67 kcal/mol or less. The X-Hg-Y bond dissociation energies (BDEs) were determined from the Δ H°f and used as a metric of the molecular stability. The BDE decreases from F to I for the X-HgOH and OHg-X series. The trend is reversed for X-HgOCl and X-HgOBr where the BDE increases from F to Br but decreases with I. All studied molecules have significant BDEs in the range of 50-90 kcal/mol. Assuming that the concentrations of halogens OH, OCl, or OBr are reasonably high near the vicinity of a mercury emission source, the studied molecules can potentially exist long enough to affect the mercury oxidation-reduction rate and impact the global mercury budget.

Association between family structure, parental smoking, friends who smoke, and smoking behavior in adolescents with asthma.

Recent investigations show that the smoking prevalence among asthmatic adolescents is higher than among healthy adolescents, and the causes that lead these asthmatic adolescents to smoke are unclear. We investigated the association between family structure, parental smoking, smoking friends, and smoking in asthmatic adolescents (n = 6,487). After adjusting for sex and age, logistic regression analyses showed that nonintact family structure, parental smoking, and smoking friends are associated with smoking in adolescents with and without asthma. Asthmatic adolescents who reside in the household of a nonintact family have a 1.90 times greater risk of smoking compared with those who live with both biological parents. It is important that parents who have children with asthma be made aware that the presence of smokers in the home and adolescent fraternization with smoking friends not only favor the worsening of asthma, but also induce the habit of smoking.

Causas de mortalidad por enfermedades psiquiátricas en Jerez de los Caballeros (Badajoz, España) en el siglo XIX / Causes of mortality due to psychiatric diseases in Jerez de los Caballeros (Badajoz, España) in the nineteenth century

Introducción: Se propone agrupar de acuerdo a la clasificación de Bertillon, basada en modelos etiológicos y anatómicos, las causas de mortalidad por enfermedades psiquiátricas, halladas en Jerez de los Caballeros (Badajoz, España) durante el siglo XIX. Objetivos: Examinar detalles estadísticos y clínicos de las causas de mortalidad por enfermedades psiquiátricas detectadas en el estudio. Material y métodos: Se utilizó la información obtenida de los Libros de Defunción del Archivo Parroquial de la ciudad. Resultados: Se encontró documentación de 26 203 defunciones, en 7665 de las cuales no constaba la causa del fallecimiento; en las restantes 18538, que sí la incluyeron, las patologías psiquiátricas constituyeron la decimoquinta causa de defunción, con 57 casos y un 0,3% del total de la mortalidad en la población estudiada, siendo el cólico histérico la enfermedad más frecuente. Discusión: El estudio refleja las dificultades para la obtención de datos fidedignos en áreas como ésta, debidas a posibles errores de transcripción, interpretación y diagnóstico en la documentación de dos siglos atrás.

Introduction: The causes of mortality from psychiatric diseases found in Jerez de los Caballeros (Badajoz, Spain) during the 19th. Century, are classified in different groups following the Bertillon Classification based on etiologic and anatomical models. Objectives: To examine statistical and clinical details about the causes of mortality from psychiatric disease found in the documentation studied. Material and Methods: Pertinent information was obtained from the Death Register of the local Parish Archives. Results: 26203 deaths had been recorded. In 7665 of them, no cause of death was recorded; from the remaining 18538, psychiatric pathologies account for the fifteenth cause of death, with 57 cases recorded or 0.3% of the total mortality rate, and hysteric colic being the most frequent diagnosis. Discussion: The study reflects the difficulties in gathering reliable data for areas like this due to possible errors in transcription, interpretation and diagnosis of documentation of two centuries back.