Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionals.

This study focuses on the use of Density Functional Theory calculations with two main approaches: computational chemistry and computational physics. The following three cases were considered for the derivation: (I) computational chemistry using the M06 hybrid functional, (II) computational chemistry using the standard PBE functional including vdW interactions, and (III) computational physics using the standard PBE functional including vdW interactions and periodic boundary conditions. Since the approximation using hybrid functionals M06 has been extensively validated, this method was used as a reference. The second and third methods are less expensive, it is ideal for use to extend large systems. From the sensitized molecules are found in the gas phase and include solvent effects through the integral equation formalism polarizable continuum model. In a systematic analysis of 15 Cu complex molecules, a complete characterization for DSSCs has been carried out and molecular geometry, electronic and optical measurements have been reported.

Non-functional alternative splicing caused by a Latino pathogenic variant in a case of PMM2-CDG.

We report on a Mexican mestizo with a multisystemic syndrome including neurological involvement and a type I serum transferrin isoelectric focusing (Tf IEF) pattern. Diagnosis of PMM2-CDG was obtained by clinical exome sequencing (CES) that revealed compound heterozygous variants in PMM2, the encoding gene for the phosphomannomutase 2 (PMM2). This enzyme catalyzes the conversion of mannose-6-P to mannose-1-P required for the synthesis of GDP-Man and Dol-P-Man, donor substrates for glycosylation reactions. The identified variants were c.422G>A (R141H) and c.178G>T, the former being the most frequent PMM2 pathogenic mutation and the latter a previously uncharacterized variant restricted to the Latino population with conflicting interpretations of pathogenicity and that we here report causes leaky non-functional alternative splicing (p.V60Cfs*3).

Computer simulation of elastic constants of hydroxyapatite and fluorapatite.

Hydroxyapatite (HAP) and fluorapatite (FAP) are essential components of dental enamel and bone. In this paper, we report a computational study of the elastic properties of HAP and FAP using ab initio and force field techniques. We have obtained the HAP and FAP elastic stiffness constants in hexagonal symmetry by fitting the Hooke law for both the energy-strain and stress-strain relations. Our ab initio HAP stiffness constants differ from the results of previous calculations, but follow similar trends. The HAP and FAP stiffness constants calculated with the ab initio method are very similar, although FAP is slightly stiffer than HAP in the hexagonal plane, and more compliant along the hexagonal axis. The pseudo-single-crystal HAP experimental stiffness constants in current use are critically reviewed. Combining the data from the ab initio simulations with the experimental FAP stiffness constants, several alternative sets of HAP stiffness constants are proposed. The mismatch in properties between HAP and FAP is evidently too small to assume it to be directly responsible for dental enamel mechanical degradation with fluorosis disease.

Los grupos extracurriculares en agronomía de la Universidad de Caldas (Colombia): 1970-2006: de la efervescencia política a la formación científica / Os grupos extracurriculares no programa de Agronomia da Universidade de Caldas (Colômbia): 1970-2006; da efervescência política ao treinamento científico / The extracurricular groups in Agricultural Engineering at the University of Caldas (Colombia): 1970-2006; from political effervescence to scientific training

En vista de que la formación de profesionales es un asunto complejo que supera los propósitos expresados en los planes de estudio, los estudiantes han complementado su formación mediante Grupos Extracurriculares (GE). Con el fin de dar cuenta de esta dinámica, se realizó una caracterización de éstos grupos en el programa de Agronomía de la Universidad de Caldas, desde el año 1970 hasta el 2006. Se trató de indagar cómo contribuyeron a la formación de los estudiantes y a la realimentación de los planes de estudio. El texto, en la primera parte analiza los GE como "comunidades de aprendizaje", en segundo lugar, se elabora una caracterización de los grupos en el programa Agronomía, en tres períodos: la efervescencia política de los años 70, el reflujo de los 80 y la emergencia de los semilleros de investigación, después de los 90. Por último, se presentan las lecciones aprendidas en este ejercicio de investigación, en donde se destaca y reafirma la importancia que tiene la formación en investigación.

Visto que o treinamento de profissionais é um assunto complexo que supera os propósitos expressados nos programas de estudos, os estudantes complementam seu treinamento mediante Grupos Extracurriculares (GE). Para dar conta desta dinâmica, fez-se uma caracterização destes grupos no programa de Agronomia da Universidade de Caldas, desde o ano 1976 até o ano 2006. Tratou-se de indagar como estes grupos contribuíram ao treinamento dos estudantes e à re-alimentação dos programas de estudos. Este texto analisa, na primeira parte, os GEs como "comunidades de aprendizagem"; em segundo lugar, faz-se uma caracterização dos grupos no programa de Agronomia em três períodos: na efervescência política dos anos 70, o refluxo dos anos 80 e a emergência dos viveiros de pesquisa depois dos anos 90. Por último, apresentam-se as lições apreendidas neste exercício, onde se destaca e reafirma a importância do treinamento em pesquisa.

Taking into consideration that training professionals is a complex matter that overcomes the goals consigned in the syllabus, the students have complemented their training by means of Extracurricular Groups (EG). To comply with this dynamics, a characterization of these groups in the program of Agricultural Engineering at the University of Caldas from 1970 to 2006 was carried out. It aimed at finding out how these groups contributed to the students' training and how they provided the syllabi with positive feedback. The first part of this paper examines the EG's as "learning communities"; the second part, characterizes the groups in the program of Agricultural Engineering in three periods: the political effervescence in the1970's, the reflux of the 80's and the emergence of research seedbeds after the 90's. Finally, some lessons that had been learned during this research exercise and that highlight and reaffirm the importance of research training are presented.

Radiofrequency thermocoagulation of lung tumours. Where we are, where we are headed.

Only 25% of all lung cancers are diagnosed in an early stage allowing surgical treatment. Primary tumours usually concerning lung metastasis are breast, colon, kidney, uterus/cervix, prostate, and head and neck tumours. During recent years many publications have confirmed the effectiveness and reliability of lung radiofrequency ablation (RFA) alone or together with other techniques (chemotherapy, radiotherapy...). Results suggest that survival increase and curative rates of lung radiofrequency are similar to those achieved by more aggressive procedures and present lower rates of complications. Pneumothorax, pleural effusion and alveolar haemorrhage are the most frequent complications. Indications for lung RFA must be individually evaluated by lung cancer committees. Percutaneous lung RFA may be useful in patients with pulmonary primary tumours and metastases, especially in those with nodules smaller than 3 cm and a peripheral location (>1 cm from the hilum). PET/CT seems to be the most accurate technique in patient follow up.

Mechanisms of neutrophil death in human immunodeficiency virus-infected patients: role of reactive oxygen species, caspases and map kinase pathways.

Neutrophils from human immunodeficiency virus-positive (HIV+) patients have an increased susceptibility to undergo programmed cell death (PCD), which could explain neutropenia during advanced disease. In this work, key steps of PCD have been evaluated in neutrophils from HIV+ patients. The role of caspase-3, caspase-8, mitogen activated protein kinase (MAPK) and reactive oxygen species (ROS) was analysed. Spontaneous neutrophil death is dependent upon caspase-3 but independent of caspase-8, suggesting that the intrinsic pathway is involved as a pathogenic mechanism of PCD. Inhibition of ROS decreased spontaneous PCD and caspase-3 hydrolysis, connecting oxidative stress and caspase-3 activation with neutrophil PCD in HIV-infected patients. Additionally, an increased neutrophil death was observed in HIV+ patients, following inhibition of p38 MAPK, suggesting a role for p38 MAPK in cell survival during the disease. We conclude that oxidative stress secondary to HIV infection can accelerate neutrophil death.

Profiles of NK, NKT cell activation and cytokine production following vaccination against hepatitis B.

Human natural killer (NK) cells (CD56+ CD3-) represent crucial components of the innate immune system especially against viral infections and because their activation can modulate the outcome of the adaptive immune response. NKT cells (CD56+CD3+), a lymphocyte T population characterized by expression of surface markers of NK cells, are known to be abundant in the liver and their activation could be associated with hepatic injury. Using three-color flow cytometry to measure surface receptors and intracellular cytokines, we have explored early activation signals and cytokine production in NK and NKT cells within a group of hepatitis B vaccinated and non-vaccinated individuals. A specific increase of the CD56bright cell population, the activation receptor CD69 and IFN-gamma, was observed in NK cells following incubation with recombinant HBsAg in responders to vaccination. Comparable results were observed in NKT cells showing an increment of CD69, CD25, IL-2 and IFN-gamma expression in responder subjects. These parameters were statistically diminished in non-responder individuals (p<0.05) in both groups of cells. These results demonstrate a diminished activation of these cells in non-responders to the vaccine, suggesting that NK and NKT cells play an important role in the immune response following hepatitis B vaccination.

Increased Fas-mediated apoptosis in polymorphonuclear cells from HIV-infected patients.

Neutrophils represent an important line of innate host defence against invading microorganisms and their functional detriment during HIV infection, including accelerated spontaneous cell death, has been shown to contribute to AIDS development. Neutrophils are susceptible to apoptosis via Fas and an interaction between Fas and FasL was suggested originally as a mechanism to explain constitutive neutrophil apoptosis. We have explored some intracellular pathways leading to PMN apoptosis from 28 HIV-infected patients and 24 healthy volunteers. As previously reported, accelerated spontaneous apoptosis was observed in HIV+ patients, but this did not correlate with viral load. Furthermore, an increase in the level of spontaneous apoptosis was detected in neutrophils from HIV-infected patients following inhibition of ERK, suggesting an impairment of this kinase pathway during the early stages of infection which may contribute to PMN dysfunction. An elevated susceptibility to undergo apoptosis was observed following cross-linking of Fas, which correlated both with viral load and co-expression of Fas/FasL surface molecules. Different mechanisms for spontaneous and Fas-induced apoptosis are proposed which together contribute to the neutropenia and secondary infections observed during the progression to AIDS.

Ambulatorio didatico homeopatico: relato de experiencia / Didactal homeopathic ambulatory: experience report

Atraves do relato do acompanhamento de pacientes durante 4 mses no ambulatorio didatico da segunda turma de mestrado profissionalizante em homeopatia...

Ambulatorio didatico homeopatico: relato de experiencia / Didactal homeopathic ambulatory: experience report

Atraves do relato do acompanhamento de pacientes durante 4 mses no ambulatorio didatico da segunda turma de mestrado profissionalizante em homeopatia...(AU)

Evaluation of a liquid urease test (LUT) for detection of Helicobacter pylori.

UNLABELLED: The aim of our study was to develop a rapid diagnostic urease test to demonstrate the presence of Helicobacter pylori in the Endoscopy room. MATERIALS AND METHODS: 200 consecutive patients referred to gastroscopy for different indications, were included in this study. One antral biopsy sample was obtained to be immersed in our test. The same sample was used for histological evaluation, considered to be the gold standard method for diagnose of Helicobacter pylori infection. RESULTS: 135 patients (67.5%) were found positives and 65 patients (32.5%) were negatives in our test. 128 patients (64%) showed Helicobacter pylori on histological examination. Our test showed a sensitivity of 91%, specificity of 88.1%, and positive and negative predictive values of 95% and 80% respectively. A remarkable correlation between density of Helicobacter pylori and reading time was also observed, where a high density of the bacteria reduced the reaction time in this liquid test. Furthermore, an overall accuracy of 90% was shown, which is comparable with other available commercial tests. CONCLUSION: LUT is easy to handle, cost effective and fast, with a high positive predictive value.

Evaluation of a liquid urease test (LUT) for detection of Helicobacter pylori.

The aim of our study was to develop a rapid diagnostic urease test to demonstrate the presence of Helicobacter pylori in the Endoscopy room. MATERIALS AND METHODS: 200 consecutive patients referred to gastroscopy for different indications, were included in this study. One antral biopsy sample was obtained to be immersed in our test. The same sample was used for histological evaluation, considered to be the gold standard method for diagnose of Helicobacter pylori infection. RESULTS: 135 patients (67.5

) were found positives and 65 patients (32.5

) were negatives in our test. 128 patients (64

) showed Helicobacter pylori on histological examination. Our test showed a sensitivity of 91

, specificity of 88.1

, and positive and negative predictive values of 95

and 80

respectively. A remarkable correlation between density of Helicobacter pylori and reading time was also observed, where a high density of the bacteria reduced the reaction time in this liquid test. Furthermore, an overall accuracy of 90

was shown, which is comparable with other available commercial tests. CONCLUSION: LUT is easy to handle, cost effective and fast, with a high positive predictive value.

Evaluación de un test líquido de UREASA ( LUT ) para la detección de Helicobacter pylori / Evaluation of a liquid urease test ( LUT ) for detection of Helicobacter pylori

The aim of our study was to develop a rapid diagnostic urease test to demonstrate the presence of Helicobacter pylori in the Endoscopy room. MATERIALS AND METHODS: 200 consecutive patients referred to gastroscopy for different indications, were included in this study. One antral biopsy sample was obtained to be immersed in our test. The same sample was used for histological evaluation, considered to be the gold standard method for diagnose of Helicobacter pylori infection. RESULTS: 135 patients (67.5%) were found positives and 65 patients (32.5%) were negatives in our test. 128 patients (64%) showed Helicobacter pylori on histological examination. Our test showed a sensitivity of 91%, specificity of 88.1%, and positive and negative predictive values of 95% and 80% respectively. A remarkable correlation between density of Helicobacter pylori and reading time was also observed, where a high density of the bacteria reduced the reaction time in this liquid test. Furthermore, an overall accuracy of 90% was shown, which is comparable with other available commercial tests. CONCLUSION: LUT is easy to handle, cost effective and fast, with a high positive predictive value. (AU)

Evaluación de un test líquido de UREASA ( LUT ) para la detección de Helicobacter pylori / Evaluation of a liquid urease test ( LUT ) for detection of Helicobacter pylori

The aim of our study was to develop a rapid diagnostic urease test to demonstrate the presence of Helicobacter pylori in the Endoscopy room. MATERIALS AND METHODS: 200 consecutive patients referred to gastroscopy for different indications, were included in this study. One antral biopsy sample was obtained to be immersed in our test. The same sample was used for histological evaluation, considered to be the gold standard method for diagnose of Helicobacter pylori infection. RESULTS: 135 patients (67.5%) were found positives and 65 patients (32.5%) were negatives in our test. 128 patients (64%) showed Helicobacter pylori on histological examination. Our test showed a sensitivity of 91%, specificity of 88.1%, and positive and negative predictive values of 95% and 80% respectively. A remarkable correlation between density of Helicobacter pylori and reading time was also observed, where a high density of the bacteria reduced the reaction time in this liquid test. Furthermore, an overall accuracy of 90% was shown, which is comparable with other available commercial tests. CONCLUSION: LUT is easy to handle, cost effective and fast, with a high positive predictive value.

Historia natural del carcinoma de colon y recto / Natural history of colorectal carcinoma

En la evolución natural del cáncer colorrectal participan numerosos elementos entre los cuales, la acumulación progresiva de cambios genéticos representa la base patogénica fundamental. Pocos genes que afecten los fenómenos de muerte celular han sido identificados y el que ha sido mejor estudiado de ellos, p53, participa en las fases tardías del proceso tumoral. Las mutaciones en el gen de la Adenomatosis Poliposa Colónica (APC) están asociadas con los estadios más tempranos del carcinoma colorrectal. Los individuos quienes heredan mutaciones en la línea germinal de APC desarrollan cientos de tumores benignos, algunos de los cuales progresan hacia cáncer. Las mutaciones somáticas de APC están además asociadas con la incidencia de cáncer colorrectal en la población general por cuanto han sido demostradas en adenomas pequeños y en lesiones displásicas microscópicas. Elementos importantes en la historia natural de las neoplasias de colon y recto y sus repercusiones en el área clínica, son discutidos en esta revisión a la luz de los conocimientos más recientes derivados del estudio genético y molecular de la enfermedad

Prevalencia de anticuerpos contra el virus de la hepatitis C en pacientes multitransfundidos / Anti-hepatitis C virus antibodies in politransfused patients

Se realizó un estudio transversal para conocer la prevalencia de anticuerpos contra el virus de la Hepatitis C en pacientes politransfundidos por: hemofilia, leucemia y anemia hemolítica, procedentes de la región andina. Se analizaron 39 muestras, 10 procedentes de pacientes hemofílicos, 12 de pacientes con leucemia, linfoma y anemia hemolítica, transfundidos por lo menos 6 meses antes del estudio. El resto de las muestras, 17, fueron controles sanos sin antecedentes de transfusion previa. Utilizando un ELISA de segunda generación, se detectaron 4 muestras positivas (10,26 por ciento), 3 de hemofílicos y la restante de un paciente con linfoma. Esto correponde a una positividad de 30 por ciento para el grupo de hemofilicos, lo cual contrasta con lo reportado en otros países. Se demostró una asociación estadísticamente significativa entre la positividad del ELISA y la cantidad de material transfundido (p< 0.0004), asi mismo con el tipo de material suministrado: Crioprecipitado (p= 0.000) y plasma (p= 0.000)

[Prevalence of antibodies against hepatitis C virus in multitransfused patients]. / Prevalencia de anticuerpos contra el virus de la hepatitis C en pacientes multitransfundidos.

We have done a study in order two know the prevalence of anti-hepatitis C virus antibodies in polytransfused patients with hemophilia, leukemia and hemolytic anemia, along with 17 healthy donors, without previous history of transfusions. We analyzed samples from 10 hemophilic patients and 12 from leukemia, lymphoma and hemolytic anemia, all of them had received blood or blood products, at least six months before the study. Using a second generation ELISA, 4 positive sample (3 hemophilic and 1 lymphoma) were detected (10.26%), which represent a prevalence of 30% in the hemophilic group, in contrast with the prevalence detected in other countries. A very significant statistic association was demonstrated, between the positive ELISA, the amount of the transfused product (P < 0.0004) and the type of blood product used for transfusion (crioprecipited, P = 0.000, plasma P = 0.000).

Effects of ethanol consumption during pregnancy and lactation on the outcome and postnatal growth of the offspring.

Although information about the pregnancy outcome of alcoholic mothers is relatively abundant, no information is available about the effects of ethanol consumption on the infant's postnatal growth. This investigation aims to describe the physical growth of 32 infants born to mothers accustomed to drinking pulque, a mild alcoholic beverage, on a daily basis during pregnancy and lactation and to quantitate the ethanol disposed through the milk, as well as to identify cases of newborns with fetal alcohol syndrome. No full-blown cases of the syndrome were found: birth weight was similar to their non-drinking counterpart, but the relative risk of newborns to drinking mothers to have a low birth weight was 3.39. Ethanol found in milk accounted for 40 mg/day available to the infant. The postnatal growth of infants of ethanol drinkers was similar to that of controls. Further studies on their mental development are required in order to understand the extent of the effects of such a habit.

PIP: The physical growth of 32 infants born to mothers accustomed to drinking pulque, a mild alcoholic beverage, on a daily basis during pregnancy and lactation was studied. 110 clinically healthy mothers aged 15-44 years with parity from 2 to 4 were recruited during the last trimester of gestation from among the pregnant women of San Mateo Capulhuac, a village of 4000 inhabitants, where the prevalence of natural lactation is 95% up to 6 months postpartum. All were exclusively breast feeding their infants. The final sample included 94 nonsmoking mothers; of these, 32 drank 1-2 liters of pulque per day during pregnancy. A group of 62 nondrinking mothers of similar age, parity, and height for age ratio served as controls. 6 mothers received, .12-.31 gm/kg Blood and milk samples were taken at intervals up to 189 minutes after pulque had been consumed. Weight for age, weight for height, and height for age were calculated based on reference data published by the US National Center for Health Statistics (NCHS). The group of pulque-drinking mothers had an average age of 29.0 + 5.9 years, height of 151.0 + 5.0 cm while nondrinking mothers were 25.5 + 6.0 years and 149.0 + 5.2 cm, respectively. The estimated ethanol ingestion per day varied from 3.3 to 58 gm/day. No full-blown cases of the fetal alcohol syndrome were found: birth weight was similar to their nondrinking counterparts but the relative risk of newborns to drinking mothers to have a low birth weight was 3.39. Ethanol found in milk accounted for 40 mg/day available to the infant. Compared with the NCHS reference both groups had significantly lower mean length and weight from 3 months of age (p .001). This was reflected by a low percentage of infants with adequate weight and length/age ratios (47 and 58%, respectively). More than 90% ad an adequate weight/length ratio.

[Plasma clearance of ethanol and its excretion in the milk of rural women who consume pulque]. / Depuración plasmática de etanol y su excreción en la leche de mujeres rurales que consumen pulque.

Women from rural areas of the central plateau of Mexico drink during pregnancy and lactation a mild alcoholic beverage called pulque as a galactogogue. Ethanol present in milk could have a harmful effect on growth and development of breast-fed children. The purpose of this study was to quantify the ethanol consumed as pulque by eleven lactating rural women as well as its clearance rate in blood and milk. Mothers were separated in two groups depending upon the ethanol ingested in a single dose of pulque 0.21 +/- 0.08 g/kg of body weight (group A) and 0.44 +/- 0.11 g/kg (group B). Maximal concentration of ethanol was reached in milk at 60 minutes and almost equaled that in plasma. Both groups showed a similar clearance pattern regardless of the volume of pulque ingested. Clearance rates between groups were different: ethanol concentration in milk at 60 min were 8.4 +/- 3.0 mg/dL for group A and 26.2 +/- 7.0 mg/dL for group B. Two hours later ethanol levels were 3.6 +/- 3.4 mg/dL and 23.3 +/- 9.4 mg/dL respectively. Clearance rates were slower in mothers showing the highest concentration of ethanol in milk. The present data demonstrate that there is no differential elimination of ethanol in maternal blood and milk following ingestion of a moderate amount of pulque during lactation. The amount of ethanol received by infants through milk is relatively low and therefore it is unlikely to have harmful effects on them. Pulque consumption adds about 350 kcal/day to the customary dietary intake of these lactating women.

PIP: This work assessed the quantity of ethanol consumed in pulque, a mildly alcoholic beverage from the maguey cactus, and its clearance rate in the blood and milk of 11 rural women in the state of Mexico. 27% of women in the rural and semirural areas of central Mexico drink pulque with their meals. Pulque is believed to stimulate milk production in lactating women. The 11 women lived in the community of San Mateo Capulhuac. All exclusively breast fed their infants, who ranged in age from 3-12 months. On the study day the women breakfasted on tortillas, beans, soup and tea, accompanied by their usual quantity of pulque. During the study, samples of milk and blood were taken from the women at 60, 90, and 120 minutes after 1st ingestion of pulque. The volume of pulque consumed was measured and a sample was saved to determine the ethanol content. Mature pulque showed little variation in ethanol concentration or in total carbohydrates, independently of temperature or duration of storage. The average concentration of ethanol in pulque produced in San Mateo Capulhuac was 3.08 + or - 1.09 g/dL, with a minimum of 1.35 and a maximum of 4.70. The 11 mothers were divided into 2 groups depending on whether the maximum concentration of ethanol quantified in their blood and milk was less than 20 mg/dL (group A) or greater than 20 (group B). The mothers in group A had younger infants, lower body weights, and smaller volumes of pulque ingested on average than the mothers in group B. The average dose of ethanol ingested with pulque was .21 + or - .08 g/kg body weight for group A and .44 + or - .22 g/kg of body weight for group B. concentrations of ethanol in the blood were similar to those in milk for both groups at 60, 90, and 120 minutes. The maximum ethanol concentration occurred 60 minutes after ingestion. Maximum concentrations of ethanol in milk were 8.4 + or - 3.0 mg/dL for group A and 26.2 + or - 7.0 mg/dL for group B, slightly lower than the maximal plasma concentrations in each group. Ethanol levels in blood and milk of group A declined rapidly, with 63% of the ethanol disappearing from the blood and 52% from the milk at 120 minutes. At 120 minutes the ethanol concentration had declined by only 5.5% in the blood and 11% in the milk of group B. Pulque contributes about 350 kcal per day to these women, who have daily caloric intakes averaging 2100 kcal. The relatively small amount of ethanol taken in by infants through milk is unlikely to have harmful effects.