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1.
Rev. int. med. cienc. act. fis. deporte ; 22(85): 199-213, mar.-mayo 2022. tab
Artigo em Inglês, Espanhol | IBECS | ID: ibc-205437

RESUMO

En cada deporte es importante optimizar peso y composición corporal y la genética y los datos antropométricos pueden influir en rendimiento deportivo y salud, sobre todo en deportistas menores. Este estudio analiza 60 nadadoras artísticas entre 9 y 17 años, divididas en tres grupos de edad: ≤12, 13-15 y 16-17 años. Se realizó un análisis de medidas antropométricas, edad de menarquia, genotipo relacionado con rendimiento (gen ACTN3) y resultados deportivos, con objetivo de relacionar estos parámetros entre sí en los grupos de edad. Las nadadoras de mayor edad mostraron tendencia a portar el genotipo heterocigoto RX de ACTN3. En este estudio, la práctica de este deporte podría tener impacto en índice de masa corporal, pliegue tricipital, peso y edad de menarquia. La mayor prevalencia del genotipo heterocigoto ACTN3 R577X podría ofrecer una ventaja, pero el rendimiento en competición de las nadadoras artísticas tuvo poca relación con sus medidas antropométricas. (AU)


In sport, optimizing weight and body composition is important for performance although an excessive drive for thinness can lead to diminished performance and health problems. This is especially important in the youngest athletes. This study examines 60 national competition-level Spanish artistic swimmers aged 9-17 years. Participants were divided into 3 categories: 12 years and under, 13-15 and 16-17 years. The data analysed were anthropometric measures, menarche age, genotype related to performance (gene ACTN3) and athletic performance. Relationships between athletic performance and anthropometric or genetic data were compared among the three age groups. Swimmers showed a tendency to carry the heterozygous genotype RX of the ACTN3 gene in the older age group. In this study, this sport could have an impact on body mass index, triceps skinfold, weight, menarche age, and selection of one genotype, but the performance in competition of the artistic swimmers had little linking to anthropometric measures. (AU)


Assuntos
Humanos , Feminino , Criança , Adolescente , Natação/estatística & dados numéricos , Natação/tendências , Composição Corporal , Epidemiologia Descritiva , Genética , Desempenho Atlético
2.
Nurse Educ Today ; 92: 104474, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-32593857

RESUMO

BACKGROUND: The expectations of students regarding their studies have a strong influence on their academic performance and personal training, and they are closely related with their academic and professional future. OBJECTIVES: To analyze initial expectations and how they are fulfilled, in a cohort of nursing students during the four years of their degree program. DESIGN: Creation and validation of a questionnaire and longitudinal study. SETTING: University nursing school in Catalonia (Spain). PARTICIPANTS: 339 students of the nursing degree. METHODS: Two questionnaires were constructed with 10 items each, of a mixed nature: some items were previously validated in prior studies while other new items were made and included, following a review of the literature. The questionnaires were designed to assess the expectations of the students at the beginning of the academic year (CUDEX questionnaire) and the fulfillment of these at the end of the year (CUDEX-C questionnaire). RESULTS: Internal consistency (Cronbach's alpha) for the CUDEX questionnaire and the CUDEX-C was 0.70. Factorial analysis of the expectations questionnaires suggested a three-factor model, with an acceptable internal consistency for each of the factors. Statistically significant differences were found between the initial expectations and their fulfillment at the end of the academic year for all the factors and in all four years of the degree program. CONCLUSIONS: The three-factor model of the expectations (Academic adaptation, personal development, and academic performance) shows a good fit for the several samples and time points. The nursing students feel that not all of their expectations were fulfilled during their studies, and there were significant differences between their initial expectations and those fulfilled, in terms of all three factors.


Assuntos
Estudantes de Enfermagem , Humanos , Estudos Longitudinais , Motivação , Espanha , Inquéritos e Questionários
3.
Eur J Protistol ; 61(Pt A): 244-252, 2017 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-28756938

RESUMO

In order to improve our knowledge on the epidemiology of amoebic keratitis, as well as the identification of Acanthamoeba isolates, we have isolated Acanthamoeba spp. from five symptomatic patients in Spain in the present study. All isolates were grown in axenic liquid medium, with only one exception. The morphology of these isolates were characterized by optical and scanning electron microscopy. Their structural features corresponded to those of amphizoic amoebae (namely Acanthamoeba spp.). The molecular characterization of the five Acanthamoeba isolates yielded six sequences. Almost complete 18S rRNA gene sequences (>2000bp) were obtained from three isolates and partial sequences (∼1500bp) from the other two. A robust phylogenetic analysis based on the almost complete 18S rRNA sequence showed that four isolates belonged to the T4 genotype and the other one to the T3 genotype. However, all isolates were identified as T4 genotype using the ASA.S1 fragment. As previously suggested by other researchers, only a robust phylogenetic approach may be helpful in identifying Acanthamoeba genotypes. In addition, new data on the phylogenetic relationships among the Acanthamoeba genotypes is provided and discussed.


Assuntos
Ceratite por Acanthamoeba/parasitologia , Acanthamoeba/genética , Acanthamoeba/isolamento & purificação , Acanthamoeba/classificação , Acanthamoeba/ultraestrutura , Genótipo , Humanos , Microscopia Eletrônica de Varredura , Filogenia , RNA Ribossômico 18S/genética , Espanha , Especificidade da Espécie
5.
Protein Eng Des Sel ; 29(6): 231-243, 2016 06.
Artigo em Inglês | MEDLINE | ID: mdl-27160179

RESUMO

Non-native protein aggregation is a ubiquitous challenge in the production, storage and administration of protein-based biotherapeutics. This study focuses on altering electrostatic protein-protein interactions as a strategy to modulate aggregation propensity in terms of temperature-dependent aggregation rates, using single-charge variants of human γ-D crystallin. Molecular models were combined to predict amino acid substitutions that would modulate protein-protein interactions with minimal effects on conformational stability. Experimental protein-protein interactions were quantified by the Kirkwood-Buff integrals (G22) from laser scattering, and G22 showed semi-quantitative agreement with model predictions. Experimental initial-rates for aggregation showed that increased (decreased) repulsive interactions led to significantly increased (decreased) aggregation resistance, even based solely on single-point mutations. However, in the case of a particular amino acid (E17), the aggregation mechanism was altered by substitution with R or K, and this greatly mitigated improvements in aggregation resistance. The results illustrate that predictions based on native protein-protein interactions can provide a useful design target for engineering aggregation resistance; however, this approach needs to be balanced with consideration of how mutations can impact aggregation mechanisms.


Assuntos
Mutagênese Sítio-Dirigida , Agregados Proteicos , gama-Cristalinas/química , gama-Cristalinas/genética , Clonagem Molecular , Escherichia coli/genética , Humanos , Modelos Moleculares , Mutação Puntual , Mapas de Interação de Proteínas , Estabilidade Proteica , Eletricidade Estática , Temperatura , gama-Cristalinas/metabolismo
6.
Oncogene ; 35(33): 4302-11, 2016 08 18.
Artigo em Inglês | MEDLINE | ID: mdl-26751776

RESUMO

The cascade that culminates in macrometastases is thought to be mediated by phenotypic plasticity, including epithelial-mesenchymal and mesenchymal-epithelial transitions (EMT and MET). Although there is substantial support for the role of EMT in driving cancer cell invasion and dissemination, much less is known about the importance of MET in the later steps of metastatic colonization. We created novel reporters, which integrate transcriptional and post-transcriptional regulation, to test whether MET is required for metastasis in multiple in vivo cancer models. In a model of carcinosarcoma, metastasis occurred via an MET-dependent pathway; however, in two prostate carcinoma models, metastatic colonization was MET independent. Our results provide evidence for both MET-dependent and MET-independent metastatic pathways.


Assuntos
Transição Epitelial-Mesenquimal , Metástase Neoplásica , Animais , Proliferação de Células , Feminino , Humanos , Camundongos , Camundongos Endogâmicos BALB C , Neoplasias/patologia
7.
Med. infant ; 21(2): 80-84, Junio 2014. tab
Artigo em Espanhol | LILACS | ID: biblio-911107

RESUMO

Streptococcus pyogenes (estreptococo beta-hemolítico del grupo A) (SGA) y Streptococcus dysgalactiae subsp. equisimilis, (estreptococos beta-hemolíticos grupos C y G) (SDSE) son capaces de provocar enfermedades graves como la fascitis necrotizante y el síndrome de shock tóxico estreptocócico (SSTE) y de causar complicaciones posinfecciosas. El objetivo de este trabajo fue presentar resultados de un estudio multicéntrico y compararlo con diferentes estudios descriptivos previos sobre infecciones invasivas por estreptococos beta-hemolíticos de los grupos A, C y G, también realizados en la Argentina. Se incluyeron 54 pacientes de 0 a 15 años con infecciones invasivas por SGA (N=50) o SDSE (N=4) en forma prospectiva entre julio de 2011 y junio de 2012 en 28 centros de 17 ciudades argentinas. Se aisló S. pyogenes en 28 pacientes que presentaron bacteriemia, 6 de ellas sin foco. Cuatro pacientes (7,4%) presentaron SSTE, en todos los casos por S. pyogenes. La mortalidad fue del 2,0% para SGA. La evolución de los pacientes fue peor en los tres estudios anteriores respecto del actual: mayor porcentaje de casos de SSTE (diferencias no significativas) y mayor mortalidad (diferencia significativa respecto de dos estudios previos). Es probable que la morbimortalidad haya decrecido en esta última década en la Argentina posiblemente debido al uso temprano de clindamicina en las infecciones invasivas por S. pyogenes y SDSE, aunque no se puede descartar la diferente circulación de cepas virulentas. Esta apreciación además está sesgada por la inclusión de pacientes de distintos centros con diferentes formas de presentación inicial (AU)


Streptococcus pyogenes (group A ß-hemolytic streptococcus (GAS)) and Streptococcus dysgalactiae subsp. equisimilis (group C and G ß-hemolytic streptococcus (GCGS)) may cause severe diseases such as necrotizing fasciitis and streptococcal toxic shock syndrome (STSS) as well as postinfectious complications. The aim of this report was to present the results of a multicenter study and compare them with the results of different previous descriptive studies on invasive infections due to beta-hemolytic streptococcus groups A, C, and G that were also conducted in Argentina. Forty-five patients between 0 and 15 years of age with invasive infections due to GAS (N=50) or GCGS (N=4) were prospectively included in the study between July 2011 and June 2012 from 28 centers in 17 Argentine cities. S. pyogenes was isolated in 28 patients who presented with bacteremia, without a focus in six. Four patients (7.4%) had STSS, due to S. pyogenes in all of them. In patients with GAS, mortality rate was 2.0%. Outcome of the patients was worse in previous studies than in the present one: Percentages of cases with STSS (no significant difference) and mortality (significant difference) were higher. It is probable that over the last decade morbidity and mortality have decreased in Argentina, possibly due to the early use of clindamycin in invasive infections due to S. pyogenes and GCGS, although a different circulation of virulent strains cannot be ruled out. Additionally, this observation is biased by the inclusion of patients from different centers with different presentations at onset (AU)


Assuntos
Humanos , Recém-Nascido , Lactente , Pré-Escolar , Criança , Adolescente , Infecções Estreptocócicas/microbiologia , Infecções Estreptocócicas/epidemiologia , Streptococcus/isolamento & purificação , Streptococcus/classificação , Streptococcus pyogenes/isolamento & purificação , Bacteriemia , Argentina/epidemiologia , Clindamicina/uso terapêutico , Incidência , Mortalidade
8.
Nutr Hosp ; 31(3): 1394-402, 2014 Oct 03.
Artigo em Espanhol | MEDLINE | ID: mdl-25726239

RESUMO

INTRODUCTION: Eating disorders are serious psychological disorders with an increased incidence in last years. One of the factors that determine the high prevalence of eating disorders in our society is the lack of knowledge about nutrition. One of the reasons of this lack of knowledge could be the presence of online resources without scientific validity. OBJECTIVE AND SCOPE: The aim of this study was to analyze the scientific quality and positioning of websites in Spanish that have information on nutrition, eating disorders and obesity. MATERIALS AND METHODS: For this purpose, a web search was conducted in the Google Chrome browser using the key words: diet, anorexia, bulimia, obesity and nutrition, and selecting the first 20 results of each search at the rates offered by SeoQuake positioning (Page Rank, Alexa Rank y SEMrush Rank). The variables used for the analysis were: information related to eating habits and diets, information on healthy eating, information about eating disorders and their diagnostics, and formative information about general health topics with professional criteria. RESULTS: Only the 50% of the webpages accomplished the inclusion criteria for this study. Most of them did not follow the guidelines established by e- Europe assessment for quality. The median of the Webpage's PageRank was 2, except those associated with health institutions. CONCLUSIONS: Given the scarcity of healthcare websites with scientific rigor is essential to review the existing one and to create new online spaces whose supervision must be carried out by specialists in health and nutrition.


Introducción: Los trastornos del comportamiento alimentario (TCA) son las patologías psicológicas que más se han incrementado en los últimos años. Uno de los factores que determina la elevada prevalencia de TCA en nuestra sociedad es el gran desconocimiento sobre alimentación. Este desconocimiento puede deberse a la consulta de recursos online sin validez científica. Objetivo y ámbito: El objetivo de este trabajo ha sido analizar la calidad científica y el posicionamiento de los sitios web en español con información sobre nutrición, TCA y obesidad. Material y métodos: Se realizó una búsqueda de páginas web en el navegador Google Chrome con las palabras clave: dieta, anorexia, bulimia, nutrición y obesidad, seleccionándose los 20 primeros resultados de cada búsqueda según los índices de posicionamiento ofrecidos por SEOquake (Page Rank, Alexa Rank y SEMrush Rank). Las variables de análisis fueron: información relacionada con dietas y hábitos alimentarios, información sobre alimentación saludable, información sobre TCA y sus criterios diagnósticos e información de carácter formativo acerca de temas profesionales de salud general. Resultados: Sólo el 50% de las web encontradas cumplían los criterios de inclusión en el estudio. La mayoría no seguían las pautas establecidas por e-Europa sobre calidad. La mediana de Page Rank fue de 2, excepto en aquellas asociadas a instituciones sanitarias de prestigio. Conclusiones: Dada la escasez de webs sanitarias con rigor científico, es imprescindible la revisión de las existentes y la creación de nuevos espacios on-line cuya supervisión sea realizada por profesionales especialistas en salud y nutrición.


Assuntos
Informação de Saúde ao Consumidor/estatística & dados numéricos , Transtornos da Alimentação e da Ingestão de Alimentos , Internet , Ciências da Nutrição , Informação de Saúde ao Consumidor/normas , Dieta , União Europeia , Guias como Assunto , Humanos , Comportamento de Busca de Informação , Internet/estatística & dados numéricos , Obesidade , Controle de Qualidade , Espanha
9.
Prev. tab ; 14(3): 105-111, jul.-sept. 2012. tab, ilus
Artigo em Espanhol | IBECS | ID: ibc-105728

RESUMO

Objetivos. El objetivo principal del estudio fue analizar la tasa de abstinencia en fumadores diabéticos procedentes de la Unidad de Diabetes, tratados con terapia farmacológica y breve asesoramiento psicológico, a los que además se les entregó material informativo de autoayuda. Metodología. Estudio analítico, longitudinal y prospectivo. Los participantes eran diabéticos fumadores, se les informó que la acción sinérgica de la diabetes y el tabaco incrementa tanto la morbilidad como la mortalidad, y a todos se les ofreció ayuda para dejar de fumar. Se establecieron los siguientes criterios de inclusión: ser diabético, mayor de edad, consumo de cigarrillos o cualquier otro producto derivado del tabaco a diario, y encontrarse en la fase de preparación en el proceso de abandono. El programa de intervención incluía la realización de la Historia clínica de Tabaquismo, y también se investigó la comorbilidad asociada. Se utilizaron los fármacos de 1ª línea autorizados por la FDA (TSN, bupropion y vareniclina), más breve soporte psicológico durante un periodo de 8-12 semanas. El programa consistía en 7 visitas (visita basal; semanas 2ª y 4ª; 2º, 3º y 4º mes; y finalmente a la 52ª semana). Resultados. Participaron 96 pacientes, 68 (71%) eran varones. La media de edad era de 53,1 años. El consumo medio de cigarrillos fue de 29,7 cig./día. La edad media de inicio se situaba en torno a los 16 años. La cooximetría era de 27,8 ppm. El 19,8% consumía el 1er cigarrillo en menos de 5 minutos, el 45,8% en menos de 30 minutos, y el 34,4%, en más de 30 minutos. La abstinencia después de dos semanas del comienzo del tratamiento (vareniclina 58%, TSN 52% y bupropion 49%), confirmado con la cooximetría (<10 ppm). La abstinencia al final del seguimiento en la 52ª semana: los que fueron tratados con vareniclina (32%); con parches de nicotina 38%; con bupropion 33%. Conclusiones. El consumo de cigarrillos era elevado. Presentaban una dependencia severa, más del 65% encendía el 1º cigarrillo en menos de 30 minutos. La tasa global de abstinencia a la 52ª semana fue del 32,2%. A pesar del aumento del factor de riesgo que supone fumar en la diabetes, existen estudios muy limitados sobre el manejo del tabaquismo en este subgrupo de pacientes. El abandono del tabaquismo debe ser un componente esencial en el tratamiento integral del paciente diabético fumador (AU)


Objectives. The principal objective of the study was to analyze the abstinence rate in diabetic smokers from the Diabetes Unit, treated with pharmacological therapy and brief psychological counseling, who were also given self-help information material. Methodology. An analytic, longitudinal and prospective study was conducted. The participants were diabetics who smoked. They were informed that the synergic action of diabetes and smoking increased both morbidity and mortality and all were offered help to quit smoking. The following inclusion criteria were established: being diabetic, of legal age, smoker of cigarettes or any other tobacco-derived product daily, and being in the preparation phase in the abandonment process. The intervention program included obtaining a Clinical History of the Smoking habit and the associated comorbidity was also investigated. First line drugs authorized by the FDA (TSN, bupropion and varenicline) were used plus brief psychological support for a period of 8-12 weeks. The program consisted in 7 visits (baseline visit, weeks 2 and 4, 2nd, 3rd and 4th months, and finally at 52 weeks. Results. A total of 96 patients, 68 (71%) of whom were male, participated. Mean age was 53.1 years. Mean cigarette consumption was 29.7 cig/day. Mean age of onset was at about 16 years. Cooximetry was 27.8 ppm. The first cigarette was consumed in less than 5 minute by 19.8%, in less than 30 minutes by 45.8% and more than 30 minutes by 34.4%. Abstinence after two weeks of initiation of treatment was varenicline 58%; TSN 52% and bupropion 49%, confirmed with the cooximetry (<10 ppm). Abstinence at the end of follow-up at week 52 was: those treated with varenicline (32%); with nicotine patches 38%; with bupropion 33%. Conclusions. Cigarette smoking was high. Severe dependence was present in more than 65%, with lightening up of the first cigarette in less than 30 minutes. Global abstinence rate at 52 weeks was 32.2%. In spite of the risk factors supposed from smoking in diabetes, there are very limited studies on the management of smoking habit in this subgroup of patients. Smoking cessation should be an essential component in the comprehensive treatment of the diabetic patient who smokes (AU)


Assuntos
Humanos , Masculino , Feminino , Abandono do Uso de Tabaco/métodos , Abandono do Uso de Tabaco/psicologia , Diabetes Mellitus/prevenção & controle , Diabetes Mellitus/psicologia , Complicações do Diabetes/psicologia , /psicologia , Poluição por Fumaça de Tabaco/prevenção & controle , Fumar/epidemiologia , Fumar/prevenção & controle , Bupropiona/uso terapêutico , Abandono do Uso de Tabaco/estatística & dados numéricos , Poluição por Fumaça de Tabaco/estatística & dados numéricos , Dispositivos para o Abandono do Uso de Tabaco , Síndrome de Abstinência a Substâncias/complicações , Síndrome de Abstinência a Substâncias/psicologia , Estudos Prospectivos , Indicadores de Morbimortalidade , Comorbidade
13.
Phys Chem Chem Phys ; 13(11): 5068-77, 2011 Mar 21.
Artigo em Inglês | MEDLINE | ID: mdl-21298138

RESUMO

A combined strategy that unifies our interacting quantum atoms approach (IQA), a chemically intuitive energetic perspective within the quantum theory of atoms in molecules (QTAIM), the domain natural orbitals obtained by the diagonalization of the charge-weighted domain-averaged Fermi hole (DAFH), and the statistical analyses of chemical bonding provided by the electron number distribution functions (EDF) is presented. As shown, it allows for recovering traditional orbital images from the orbital invariant descriptions of QTAIM. It does also provide bonding indices (like bond orders) and bond energetics, all in a per orbital basis, still invariant manner, using a single unified framework. The procedure is applied to show how the Dewar, Chatt, and Ducanson model of bonding in simple transition metal carbonyls may be recovered in the real space. The balance between the number of σ-donated and π-backdonated electrons is negative in classical compounds and positive in non-classical ones. The energetic strength of backdonation is, however, smaller than that of donation. Our technique surpasses conventional orbital models by providing physically sound, quantitative energetics of chemical bonds (or interactions) together with effective one-electron pictures, all for arbitrary wavefunctions.

14.
Mol Psychiatry ; 16(12): 1169-76, 2011 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-20856248

RESUMO

The brain serotonergic system has an essential role in the physiological functions of the central nervous system and dysregulation of serotonin (5-HT) homeostasis has been implicated in many neuropsychiatric disorders. The tryptophan hydroxylase-2 (TPH2) gene is the rate-limiting enzyme in brain 5-HT synthesis, and thus is an ideal candidate gene for understanding the role of dysregulation of brain serotonergic homeostasis. Here, we characterized a common, but functional single-nucleotide polymorphism (SNP rs1386493) in the TPH2 gene, which decreases efficiency of normal RNA splicing, resulting in a truncated TPH2 protein (TPH2-TR) by alternative splicing. TPH2-TR, which lacks TPH2 enzyme activity, dominant-negatively affects full-length TPH2 function, causing reduced 5-HT production. The predicted mRNA for TPH2-TR is present in postmortem brain of rs1386493 carriers. The rs13864923 variant does not appear to be overrepresented in either global or multiplex depression cohorts. However, in combination with other gene variants linked to 5-HT homeostasis, this variant may exhibit important epistatic influences.


Assuntos
Processamento Alternativo , Depressão/genética , Predisposição Genética para Doença/genética , Serotonina/biossíntese , Triptofano Hidroxilase/genética , Animais , Tronco Encefálico/metabolismo , Linhagem Celular Transformada , Feminino , Predisposição Genética para Doença/psicologia , Genótipo , Humanos , Masculino , Células PC12 , Linhagem , Polimorfismo de Nucleotídeo Único/genética , Ratos
17.
J Chem Phys ; 132(19): 194110, 2010 May 21.
Artigo em Inglês | MEDLINE | ID: mdl-20499954

RESUMO

A force field that accounts for the quantum chemical reality of interacting atoms must include Coulomb interactions between bonded atoms. The short-range nature of such 1,2 interactions necessitates atomic multipole moments in addition to point charges. However, the close proximity of bonded atoms would normally lead to a divergent multipolar expansion. A special algorithm presented here, within the scope of the previously presented multipole shifting method [M. Rafat and P. L. A. Popelier, J. Chem. Phys. 124, 144102 (2006)], shows that convergence can nevertheless be achieved by a suitable selection of multipole displacements. The algorithm is applied to improve the convergence of the multipolar expansion within the quantum theory of atoms in molecules approach.


Assuntos
Algoritmos , Teoria Quântica , Eletricidade Estática
18.
J Chem Phys ; 131(12): 124125, 2009 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-19791870

RESUMO

We show in this article how for single-determinant wave functions the one-electron functions derived from the diagonalization of the Fermi hole, averaged over an arbitrary domain Omega of real space, and expressed in terms of the occupied canonical orbitals, describe coarse-grained statistically independent electrons. With these domain-averaged Fermi hole (DAFH) orbitals, the full electron number distribution function (EDF) is given by a simple product of one-electron events. This useful property follows from the simultaneous orthogonality of the DAFH orbitals in Omega, Omega(')=R(3)-Omega, and R(3). We also show how the interfragment (shared electron) delocalization index, delta(Omega,Omega(')), transforms into a sum of one-electron DAFH contributions. Description of chemical bonding in terms of DAFH orbitals provides a vivid picture relating bonding and delocalization in real space. DAFH and EDF analyses are performed on several test systems to illustrate the close relationship between both concepts. Finally, these analyses clearly prove how DAFH orbitals well localized in Omega or Omega(') can be simply ignored in computing the EDFs and/or delta(Omega,Omega(')), and thus do not contribute to the chemical bonding between the two fragments.

19.
J Phys Chem A ; 113(27): 7963-71, 2009 Jul 09.
Artigo em Inglês | MEDLINE | ID: mdl-19537696

RESUMO

A general strategy to extend the interacting quantum atoms (IQA) approach to pseudopotential or effective core potential electronic structure calculations is presented. With the protocol proposed here, the scope of IQA thinking opens to chemical bonding problems in heavy-atom systems, as well as to larger molecules than those presently allowed by computational limitations. We show that, provided that interatomic surfaces are computed from core-reconstructed densities, reasonable results are obtained by integrating reduced density matrices built from the pseudowave functions. Comparison with all-electron results in a few test systems shows that exchange-correlation energies are better reproduced than Coulombic contributions, an effect which is traced to inadequate atomic populations and leakage of the core population into the surrounding quantum atoms.

20.
Av. diabetol ; 25(2): 125-130, mar.-abr. 2009. tab
Artigo em Espanhol | IBECS | ID: ibc-60768

RESUMO

Introducción: El tabaquismo constituye un factor de riesgo cardiovascularque incrementa el riesgo de complicaciones, tanto macrovascularescomo microvasculares, en la población diabética. Material ymétodo: Se estudió a un total de 440 pacientes y se valoró medianteencuesta su hábito tabáquico, su relación con la edad y el sexo, elgrado de dependencia nicotínica, el grado de motivación para dejar defumar y la fase de abandono tabáquico. Resultados: La tasa de tabaquismoen la población diabética fue del 17%, y era mayor en laspersonas con diabetes antes de los 50 años (47,6%). Las mujerestenían una prevalencia mayor de tabaquismo antes de los 40 años(45,4%), mientras que los varones la tenían entre los 40 y los 50años (57,9%). Conclusiones: Aunque la dependencia nicotínica esleve, el interés de los pacientes diabéticos por dejar de fumar es escaso.Es necesario llevar a cabo una política activa por parte de losprofesionales implicados en el tratamiento de los pacientes diabéticos,con el objetivo de controlar el tabaquismo con el mismo empeño quelos otros factores de riesgo cardiovascular en esta población (AU)


Introduction: Nicotinism is a cardiovascular risk factor that increasesthe risk of both macrovascular as well as microvascular complicationsin the diabetic population. Material and method: A total of440 patients were studied and a survey was used to assess theirtobacco use, its relationship to age and gender, the degree of nicotinedependence, the level of motivation to stop smoking and thephase of tobacco cessation. Results: the rate of nicotinism in the diabeticpopulation was 17%, and it was highest among people withdiabetes under the age of 50 (47.6%). The women had a higherrate of prevalence of nicotinism under the age of 40 (45.4%), whilefor men the rate was highest between the ages of 40 and 50(57.9%). Conclusions: Although the nicotine dependence is minor,the desire among diabetic patients to stop smoking is very limited.Therefore, health professionals involved in the treatment of diabeticpatients must pursue an active policy to control nicotinism with thesame determination with which other cardiovascular risk factors arecontrolled in this population (AU)


Assuntos
Humanos , Fumar/epidemiologia , Diabetes Mellitus/epidemiologia , Fatores de Risco , Risco Ajustado , Doenças Cardiovasculares/epidemiologia , Distribuição por Idade
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