N2+(2Σg) and Rb(2S) in a hybrid trap: modeling ion losses from radiative association paths.

By employing ab initio computed intermolecular potential energy surfaces we calculate the radiative association probabilities and rates for two different associative mechanisms involving trapped molecular ions N2+(2Σg) interacting either directly with ultracold Rb atoms or undergoing charge-exchange (CE) processes leading to the formation of complexes of the strongly exothermic products N2(X1Σg) plus Rb+(1S0). The two processes are expected to provide possible paths to ion losses in the trap within the timescale of experiments. The present calculations suggest that the associative rates for the 'vibrational' direct process are too small to be of any significant importance at the millikelvin temperatures considered in the experiments, while the 'vibronic' path into radiatively associating the CE products has a probability of occurring which is several orders of magnitude larger. However the reaction rate constants attributed to non-adiabatic CE [F. H. J. Hall and S. Willist, Phys. Rev. Lett., 2012, 109, 233202] are in turn several orders of magnitude larger than the radiative ones calculated here, thereby making the primary experimental process substantially unaffected by the radiative losses channel.

Identification and antimicrobial suceptibility profile of bacteria causing bovine mastitis from dairy farms in Pelotas, Rio Grande do Sul / Identificação e perfil de suscetibilidade antimicrobiana de bactérias causadoras de mastite bovina em propriedades leiteiras de Pelotas, Rio Grande do Sul

Abstract Mastitis is an inflammatory process of the udder tissue caused mainly by the bacteria Staphylococcus aureus. The indiscriminate use of antibiotics fosters conditions that favor the selection of resistant microorganisms, suppressing at the same time susceptible forms, causing a serious problem in dairy cattle. Given the importance in performing an antibiogram to select the most adequate antimicrobial therapy, the aim of this study was to identify bacteria isolated from cow's milk with mastitis, in dairy farms situated in the city of Pelotas, Rio Grande do Sul, and to determinate the susceptibility profile of these isolates against the antibiotics used to treat this illness. A total of 30 isolates of Staphylococcus spp., were selected from milk samples from the udder quarters with subclinical mastitis whose species were identified through the Vitek system. The susceptibility profile was performed by the disk diffusion assay, against: ampicillin, amoxicillin, bacitracin, cephalexin, ceftiofur, enrofloxacin, gentamicin, neomycin, norfloxacin, penicillin G, tetracycline and trimethoprim. In the antibiogram, 100.0% of the isolates were resistant to trimethoprim and 96.7% to tetracycline and neomycin, three strains of Staphylococcus spp., (10.0%) presented resistance to the 12 antibiotics tested and 24 (80.0%) to at least eight. These results showed the difficulty in treating mastitis, due to the pathogens' resistance.

Resumo A mastite se constitui no processo inflamatório da glândula mamária causada principalmente por bactérias Staphylococcus aureus. O uso indiscriminado dos antibióticos promove condições que favorecem a seleção de micro-organismos resistentes e, ao mesmo tempo, suprime formas suscetíveis, causando um grave problema para a bovinocultura leiteira. Tendo em vista a importância da realização do antibiograma para a seleção da terapia antimicrobiana mais adequada, o objetivo deste estudo foi identificar bactérias isoladas de leite de vaca com mastite, oriundas de propriedades leiteiras localizadas na cidade de Pelotas, RS, bem como determinar o perfil de suscetibilidade desses isolados frente a antibióticos usados para o tratamento desta doença. Foram selecionados 30 isolados de Staphylococcus spp. de amostras de leite provenientes de quartos mamários com mastite subclínica, cujas espécies foram identificadas através do sistema Vitek. O perfil de suscetibilidade foi realizado pela técnica de difusão em disco, frente a: ampicilina, amoxicilina, bacitracina, cefalexina, ceftiofur, enrofloxacina, gentamicina, neomicina, norfloxacina, penicilina G, tetraciclina e trimetoprima. No antibiograma, 100,0% dos isolados foram resistentes a trimetoprima e 96,7% a tetraciclina e a neomicina, três cepas (10,0%) foram resistentes aos 12 antibióticos testados e 24 (80,0%) a pelo menos oito. Esses resultados demonstram a dificuldade encontrada no tratamento da mastite devido à resistência dos agentes patológicos.

Identification and antimicrobial suceptibility profile of bacteria causing bovine mastitis from dairy farms in Pelotas, Rio Grande do Sul.

Mastitis is an inflammatory process of the udder tissue caused mainly by the bacteria Staphylococcus aureus. The indiscriminate use of antibiotics fosters conditions that favor the selection of resistant microorganisms, suppressing at the same time susceptible forms, causing a serious problem in dairy cattle. Given the importance in performing an antibiogram to select the most adequate antimicrobial therapy, the aim of this study was to identify bacteria isolated from cow's milk with mastitis, in dairy farms situated in the city of Pelotas, Rio Grande do Sul, and to determinate the susceptibility profile of these isolates against the antibiotics used to treat this illness. A total of 30 isolates of Staphylococcus spp., were selected from milk samples from the udder quarters with subclinical mastitis whose species were identified through the Vitek system. The susceptibility profile was performed by the disk diffusion assay, against: ampicillin, amoxicillin, bacitracin, cephalexin, ceftiofur, enrofloxacin, gentamicin, neomycin, norfloxacin, penicillin G, tetracycline and trimethoprim. In the antibiogram, 100.0% of the isolates were resistant to trimethoprim and 96.7% to tetracycline and neomycin, three strains of Staphylococcus spp., (10.0%) presented resistance to the 12 antibiotics tested and 24 (80.0%) to at least eight. These results showed the difficulty in treating mastitis, due to the pathogens' resistance.

Alteración de los parámetros seminales y su asociación con la fragmentación del ADN espermático / Modification of seminal parameters and their association with sperm DNA fragmentation

Resumen ANTECEDENTES: el patrón de referencia para evaluar la infertilidad masculina es el análisis seminal, aunque es incapaz de detectar la fragmentación del ADN espermático relacionado con resultados reproductivos adversos. OBJETIVO: analizar la relación entre los parámetros seminales y la fragmentación del ADN espermático, y valorar la utilidad del seminograma como predictor de fragmentación. MATERIALES Y MÉTODOS: estudio retrospectivo y observacional efectuado en pacientes del Instituto de Ciencias en Reproducción Humana Vida con problemas de fertilidad. Análisis seminal e índice de fragmentación del ADN (DFI) mediante el test de dispersión de la cromatina espermática. RESULTADOS: se estudiaron 206 pacientes: 43 (20.9%) con espermas normales y 163 (79.1%) con algún parámetro seminal alterado. En los individuos con espermas normales, 8 (18.6%) tuvieron fragmentación moderada y quienes resultaron con al menos un parámetro seminal alterado 49 (30.1%) reportaron fragmentación moderada y 22 (13.5%) fragmentación crítica. Se encontró una correlación negativa entre el índice de fragmentación del ADN y la movilidad, vitalidad y concentración (p<0.0001). No se encontró correlación alguna con el resto de los parámetros seminales. Las medias de fragmentación aumentaron conforme se incrementó el número de parámetros alterados. La razón de momios de fragmentación moderada y crítica en pacientes con oligozoospermia fue de 2.2 y 1.9; con astenozoospermia 8.0 y 26.2; con necrozoospermia 10.5 y 18.8; y con ≥ 3 alteraciones seminales 4.6 y 14.2, respectivamente. CONCLUSIONES: en pacientes con astenozoospermia, necrozoospermia u oligozoospermia o con ≥ 3 parámetros seminales alterados se recomienda realizar el estudio de fragmentación del ADN.

Abstract BACKGROUND: the reference pattern to evaluate male infertility is a semen analysis: although it is unable to detect sperm DNA fragmentation related to adverse reproductive outcomes. OBJECTIVE: to analyze the relationship between seminal parameters and sperm DNA fragmentation as well as assess the usefulness of semen analysis as predictor of fragmentation. MATERIALS AND METHODS: retrospective, observational study performed in patients of the Instituto de Ciencias en Reproducción Humana Vida with infertility problems. Semen analysis and sperm DNA fragmentation index (DFI) using the sperm chromatin dispersion test. RESULTS: 206 patients were studied: 43 (20.9%) with normal sperm and 163 (79.1%) with an impaired seminal parameter. Of the individuals with normal sperm, 8 (18.6%) had moderate fragmentation and those who had at least one seminal parameter impaired 49 (30.1%) reported moderate fragmentation and 22 (13.5%) critical fragmentation. We found a negative correlation between the DNA fragmentation index and the motility, vitality and concentration (p<0.0001). We found no correlation whatsoever with the remaining seminal parameters. The fragmentation measurements increased as the number of impaired parameters increased. The odds ratio of moderate and critical fragmentation in patients with oligozoospermia was 2.2 and 1.9; with asthenozoospermia 8.0 and 26.2; con necrozoospermia 10.5 and 18.8; and with ≥ 3 seminal impairments 4.6 and 14.2, respectively. CONCLUSIONS: in patients with asthenozoospermia, necrozoospermia or oligozoospermia or with ≥ 3 impaired seminal parameters, we recommend performing a DNA fragmentation test.

Repercusiones del índice de masa corporal masculina en los resultados de ICSI / Impact of male body mass index on ICSI outcome

Resumen OBJETIVO: primario, determinar la influencia de la obesidad paterna en la tasa de embarazo, implantación, aborto y de recién nacido en casa en pacientes que reciben tratamientos de fertilización in vitro con ICSI. El objetivo secundario: determinar el efecto del índice de masa corporal del padre en la calidad seminal y embrionaria y en la tasa de fertilización. MATERIALES Y MÉTODOS: estudio retrospectivo, comparativo y observacional al que se incluyeron ciclos ICSI con transferencia embrionaria. Los ciclos se dividieron en 3 grupos según el IMC paterno: peso normal (18.5-24.99 kg/m2), sobrepeso (25-29.99 kg/m2) y obesidad (≥ 30 kg/m2). RESULTADOS: se estudiaron 365 ciclos consecutivos en fresco en los que se encontró un incremento significativo en la tasa de aborto en pacientes con obesidad comparados con el grupo sano (39.0 vs 12.9, p = 0.02), y una significativa disminución en la tasa de recién nacido en casa (38.6 vs 23.6; p = 0.04), además de menor tasa de embriones de excelente calidad, sin afectar la tasa de fertilización con ICSI. CONCLUSIONES: los resultados demuestran que aun cuando las tasas de embarazo e implantación son elevadas en pacientes con sobrepeso y obesidad con técnicas de alta complejidad o ICSI, el desarrollo embrionario, la tasa de aborto y tasa de recién nacido en casa se ven afectados por el incremento del IMC paterno.

Abstract OBJECTIVE: The aim of the present study was primarily to determine the influence of paternal obesity on pregnancy, implantation, abortion and take home baby rates in patients undergoing in vitro fertilization with ICSI. Secondly, to determine the impact of paternal body mass index (BMI) on semen parameters, fertilization rate and embryo quality. MATERIALS AND METHODS: Retrospective, comparative and observational study. 352 cycles of ICSI with embryo transfer were included. They were divided in three groups based on male BMI: Normal (18.5-24.99 kg/m2), overweight (25-29.99 kg/m2), and obesity (≥30 kg/m2). RESULTS: Male obesity was associated with a significant increased miscarriage rate when compared with the normal group (39.0 vs 12.9, p = 0.02) and a significantly lower take home baby rate (23.6 vs 38.6, p = 0.04). We also found a lower rate of top quality embryos, without affecting fertilization with ICSI. CONCLUSION: Our results demonstrate that even though pregnancy and implantation rates are elevated when ICSI is performed in overweight and obese patients, embryo development, miscarriage and take home baby rates are affected with increased paternal BMI.

Identification and antimicrobial suceptibility profile of bacteria causing bovine mastitis from dairy farms in Pelotas, Rio Grande do Sul

Abstract Mastitis is an inflammatory process of the udder tissue caused mainly by the bacteria Staphylococcus aureus. The indiscriminate use of antibiotics fosters conditions that favor the selection of resistant microorganisms, suppressing at the same time susceptible forms, causing a serious problem in dairy cattle. Given the importance in performing an antibiogram to select the most adequate antimicrobial therapy, the aim of this study was to identify bacteria isolated from cows milk with mastitis, in dairy farms situated in the city of Pelotas, Rio Grande do Sul, and to determinate the susceptibility profile of these isolates against the antibiotics used to treat this illness. A total of 30 isolates of Staphylococcus spp., were selected from milk samples from the udder quarters with subclinical mastitis whose species were identified through the Vitek system. The susceptibility profile was performed by the disk diffusion assay, against: ampicillin, amoxicillin, bacitracin, cephalexin, ceftiofur, enrofloxacin, gentamicin, neomycin, norfloxacin, penicillin G, tetracycline and trimethoprim. In the antibiogram, 100.0% of the isolates were resistant to trimethoprim and 96.7% to tetracycline and neomycin, three strains of Staphylococcus spp., (10.0%) presented resistance to the 12 antibiotics tested and 24 (80.0%) to at least eight. These results showed the difficulty in treating mastitis, due to the pathogens resistance.

Resumo A mastite se constitui no processo inflamatório da glândula mamária causada principalmente por bactérias Staphylococcus aureus. O uso indiscriminado dos antibióticos promove condições que favorecem a seleção de micro-organismos resistentes e, ao mesmo tempo, suprime formas suscetíveis, causando um grave problema para a bovinocultura leiteira. Tendo em vista a importância da realização do antibiograma para a seleção da terapia antimicrobiana mais adequada, o objetivo deste estudo foi identificar bactérias isoladas de leite de vaca com mastite, oriundas de propriedades leiteiras localizadas na cidade de Pelotas, RS, bem como determinar o perfil de suscetibilidade desses isolados frente a antibióticos usados para o tratamento desta doença. Foram selecionados 30 isolados de Staphylococcus spp. de amostras de leite provenientes de quartos mamários com mastite subclínica, cujas espécies foram identificadas através do sistema Vitek. O perfil de suscetibilidade foi realizado pela técnica de difusão em disco, frente a: ampicilina, amoxicilina, bacitracina, cefalexina, ceftiofur, enrofloxacina, gentamicina, neomicina, norfloxacina, penicilina G, tetraciclina e trimetoprima. No antibiograma, 100,0% dos isolados foram resistentes a trimetoprima e 96,7% a tetraciclina e a neomicina, três cepas (10,0%) foram resistentes aos 12 antibióticos testados e 24 (80,0%) a pelo menos oito. Esses resultados demonstram a dificuldade encontrada no tratamento da mastite devido à resistência dos agentes patológicos.

[Polarized light microscopy for evaluation of oocytes as a prognostic factor in the evolution of a cycle in assisted reproduction]. / Microscopia de luz polarizada para evaluación de ovocitos como factor pronóstico en la evolución de un ciclo de reproducción asistida.

BACKGROUND: Identification of the best embryos to transfer is a key element for success in assisted reproduction. In the last decade, several morphological criteria of oocytes and embryos were evaluated with regard to their potential for predicting embryo viability. The introduction of polarization light microscopy systems has allowed the visualization of the meiotic spindle and the different layers of the zona pellucida in human oocytes on the basis of birefringence in a non-destructive way. Conflicting results have been reported regarding the predictive value in ICSI cycles. OBJECTIVE: To assess the predictive ability of meiotic spindle and zona pellucida of human oocytes to implant by polarized microscopy in ICSI cycles. MATERIAL AND METHODS: Prospective and observational clinical study. 903 oocytes from 94 ICSI cycles were analyzed with polarized microscopy. Meiotic spindle visualization and zona pellucida birefringence values by polarized microscopy were correlated with ICSI cycles results. RESULTS: Meiotic spindle visualization and birefringence values of zona pellucida decreased in a direct basis with increasing age. In patients aged over the 35 years, the percentage of a visible spindle and mean zona pellucida birefringence was lower than in younger patients. Fertilization rate were higher in oocytes with visible meiotic spindle (81.3% vs. 64%; p < 0.0001), as well as embryo quality (47.4% vs. 39%; p=0.01). Fertilization rate was higher in oocytes with positive values of birefringence (77.5 % vs. 68.5% p=0.005) with similar embryo quality. Conception cycles showed oocytes with higher mean value of zona birefringence and visible spindle vs. no-conception cycles (p<0.05). CONCLUSIONS: Polarized light microscopy improves oocyte selection, which significantly impacts in the development of embryos with greater implantation potential. The use of polarized light microscopy with sperm selection methods, blastocyst culture and deferred embryo transfers will contribute to transfer fewer embryos without diminishing rates of live birth and single embryo transfer will be more feasible.

Computational investigations of the thermodynamic properties of size-selected water and Ar-water clusters: high-pressure transitions.

Classical parallel-tempering Monte Carlo simulations in the isothermal-isobaric ensemble were carried out for the (H2O)20 and Ar(H2O)20 clusters, over a wide range of temperatures (30-1000 K) and pressures (3 kPa-10 GPa) in order to study their thermodynamic properties and structural changes. The TIP4P/ice water model is employed for the water-water interactions, while both semiempirical and ab initio-based potentials are used to model the interaction between the rare-gas atoms and the water molecules. Temperature-pressure phase diagrams for these cluster systems were constructed by employing a two-dimensional multiple-histogram method. Structural changes were detected by analyzing the heat capacity landscape and the Pearson correlation coefficient profile for the interaction energy and volume. Those at high pressure correspond to solid-to-solid transitions and are found to be related to clathrate-like cages around the Ar atom. It is also shown that the formation and thermodynamic stability of such structures are determined by the intermolecular interaction between the rare-gas atoms and the host water molecules.

Comparison of related complications: sentinel node biopsy versus elective neck dissection.

Sentinel node biopsy (SNB) is considered a feasible neck staging tool in early oral squamous cell carcinoma. The aim of this study was to compare postoperative morbidity in patients who had undergone SNB and elective neck dissection (END). Seventy-three consecutive patients were included between the years 2005 and 2009. The patients were divided into two groups according to neck management: SNB and END groups. Kaplan-Meier survival analysis was used to compare disease-free survival (DFS) and overall survival (OS) between the groups. Shoulder function, length of the surgical scar, and the degree of cervical lymphoedema were assessed. Neck haematoma and the presence of oro-cervical communication were also analyzed. Thirty-two patients underwent SNB and 41 underwent an END (levels I-III). Seven regional recurrences were recorded in the END group. Three neck recurrences occurred in the SNB group. No significant differences were found in DFS or OS between the groups. There were statistically significant differences between the groups in shoulder function and average scar length. However, differences in degree of lymphoedema were not statistically significant. Neck hematomas and oro-cervical communications occurred only in the END group. From this study, it can be concluded that SNB presents less postoperative morbidity than END.

Curcumin protects the developing lung against long-term hyperoxic injury.

Curcumin, a potent anti-inflammatory and antioxidant agent, modulates peroxisome proliferator-activated receptor-γ signaling, a key molecule in the etiology of bronchopulmonary dysplasia (BPD). We have previously shown curcumin's acute protection against neonatal hyperoxia-induced lung injury. However, its longer-term protection against BPD is not known. Hypothesizing that concurrent treatment with curcumin protects the developing lung against hyperoxia-induced lung injury long-term, we determined if curcumin protects against hyperoxic neonatal rat lung injury for the first 5 days of life, as determined at postnatal day (PND) 21. One-day-old rat pups were exposed to either 21 or 95% O2 for 5 days with or without curcumin treatment (5 mg/kg) administered intraperitoneally one time daily, following which the pups grew up to PND21 in room air. At PND21 lung development was determined, including gross and cellular structural and functional effects, and molecular mediators of inflammatory injury. To gain mechanistic insights, embryonic day 19 fetal rat lung fibroblasts were examined for markers of apoptosis and MAP kinase activation following in vitro exposure to hyperoxia for 24 h in the presence or absence of curcumin (5 µM). Curcumin effectively blocked hyperoxia-induced lung injury based on systematic analysis of markers for lung injury (apoptosis, Bcl-2/Bax, collagen III, fibronectin, vimentin, calponin, and elastin-related genes) and lung morphology (radial alveolar count and alveolar septal thickness). Mechanistically, curcumin prevented the hyperoxia-induced increases in cleaved caspase-3 and the phosphorylation of Erk1/2. Molecular effects of curcumin, both structural and cytoprotective, suggest that its actions against hyperoxia-induced lung injury are mediated via Erk1/2 activation and that it is a potential intervention against BPD.

Morbilidad y costes en las tiroidectomías totales. Mejora del Valor del Proceso mediante el cambio de gestión / Morbidity and costs in complete thyroidectomies. Improvement in Value of the Process by a change in the management

Objetivos. 1) Presentar la morbilidad postoperatoria de las tiroidectomías totales y los resultados de su gestión clínica y costes obtenidos tras la cirugía. 2) Tras los cambios de gestión introducidos por la Unidad de Cirugía Endocrina (UCE), comparar en el Proceso de la tiroidectomía total, los resultados obtenidos en cuanto a morbilidad y costes. 3) Establecer si estos cambios mejoran el Valor del Proceso (relación beneficio/coste). Material y métodos. Estudio prospectivo de cohortes realizado en 529 tiroidectomías totales efectuadas entre 1998 y 2011. Presentamos sus características clinicopatológicas y comparamos los resultados clínicos y de gestión obtenidos tras la cirugía en 2 períodos de tiempo, 1998-2006 sin UCE (grupo 1, de 205 pacientes), y 2007-2011 con UCE (grupo 2, de 324 pacientes). Los resultados clínicos y el posible beneficio se valoraron mediante el estudio de la morbimortalidad (lesiones recurrenciales, hipocalcemia [<8 mgrs/dl], hematomas sofocantes y sangrado) y los de gestión por la valoración del tiempo de utilización de quirófano, de la estancia media y del coste total del Proceso. El estudio estadístico de comparación se hizo mediante la t de Student, para la comparación de medias y la Chi2 para comparar porcentajes aceptando como significativo p<0,05. Resultados. El porcentaje global de disfunciones recurrenciales transitorias (DRT) fue 6%. El de parálisis recurrenciales definitivas (PRD) de 1,5%. El de hipocalcemias, a las 24 horas, de 54,6%, al mes de 7%, a los 6 meses de 6,2% y el de hipoparatiroidismo definitivo de 1,3%. Se registraron 2,8% de hematomas sofocantes y 2% de secuelas. El tiempo quirúrgico medio fue de 98 minutos y la estancia media de 3,66 días. En la comparación de resultados de grupos, la UCE mejoró el índice de DRT en casi 7 puntos (10,2 vs 3,4%; p=0,002), el de PRD en 1,5 (2,4 vs 0,4%; p=0,3) hasta situarse por debajo del 1%, las cifras de sangrado a las 24 horas (53 vs 44 cc; p=0,002) y 48 horas (23 a 17 cc; p<0,001), la tasa de hematomas en otros 6 puntos (6,3 vs 0,6%; p<0,001), y la de hipocalcemias a las 24 horas (p=0,01). También mejoró la estancia media (4,79 vs 2,94 días; p<0,001), el tiempo de utilización de quirófanos (rebajado en 20 minutos/intervención; p<0,001), el coste total del Proceso, disminuyéndolo en más de 2.000€/Proceso (p<0,001), y produjo un ahorro total para el hospital, en el período de estudio, de 665.820€. Conclusiones. 1) Los resultados globales (morbilidad postoperatoria) de nuestras tiroidectomías totales se mantienen dentro de los estándares de calidad. 2) La especialización quirúrgica y los cambios introducidos por la UCE mejoraron los resultados clínicos (mayor beneficio) y los de gestión, acortando la estancia media, el tiempo de utilización del quirófano y disminuyendo los costes. 3) El cambio de gestión incrementó el Valor del Proceso(AU)

Objectives. 1) To present the postoperative morbidity of complete thyroidectomies and the results of their clinical management and costs obtained after surgery. 2) To compare the results obtained for the morbidity and costs in the complete thyroidectomy Process, after the management changes introduced by the Endocrine Surgical Unit (ESU). 3) To define whether these changes improve the Value (benefit/cost ratio) of the Process. Material and methods. Prospective study of cohorts conducted on 529 complete thyroidectomies performed between 1998 and 2011. We present their clinical-pathological characteristics and we compare the clinical and management results obtained after surgery in 2 time periods: 1998-2006 without ESU (group 1, 205 patients) and 2007-2011 with ESU (group 2, 324 patients). The clinical results and the possible benefits are assessed by studying the morbimortality (recurrent lesions, hypocalcaemia [<8mg/dl], suffocative haematomas and bleeding), and those of management, for the evaluation of the use of operating room time, the average stay and the total cost of the Process. The statistical comparison study was made using Student t test, for the comparison of means and the Chi2 to compare percentages, accepting P<.05 as significant. Results. The global percentage of transient recurrent dysfunctions (TRD) was 6%, and for definitive recurrent paralysis (DRP) it was 1.5%. Hypocalcaemia, at 24hours was 54.6%, at one month 7%, at six months 6.2% and that of definitive hypoparathyroidism 1.3%. There were 2.8% of suffocative haematomas and 2% adverse effects. The mean surgical time was 98minutes, and the average stay was 3.66 days. In the comparison of results of the groups, the ESU improved the TRD index by nearly 7 points (10.2 vs. 3.4%, P=.002), that of DRP by 1.5 (2.4 vs. 0.4%; P=.3) until reaching under 1%. The figures on bleeding at 24hours (53 vs. 44 cc; P=.002) and 48hours (23 to 17 cc; P<.001), the rate of haematomas by another 6 points (6.3 vs. 0.6%; P<.001), and that of hypocalcaemia at 24hours (P=.01). The average stay also improved (4.79 vs. 2.94 days; P<.001), the use of operating room time (reduced by 20minutes/operation; P<.001), the total cost of the Process, decreasing by more than € 2,000/Process (P<.001), and produced a total savings for the hospital in the period of study of € 665,820. Conclusions. 1) The global results (post-operative morbidity) of our total thyroidectomies are within the quality standards. 2) The surgical specialisation and the changes introduced by the ESU improved the clinical results (greater benefit) and those of management, cutting down the average stay and the operating room usage time and decreasing costs. 3) The change in management increased the Value of the Process(AU)

Weakly bound finite systems: (4He)N-Rb2(³Σu), clustering structures from a quantum Monte Carlo approach.

We report here ((4)He)(N)-Rb(2)((3)Σ(u)) complexes, 2 ≤ N ≤ 20, analysed through a quantum diffusion Monte Carlo stochastic approach. The calculations show that the spin stretched dimer molecule is bound outside the pure He sub-complex, due to the stronger He-He potential as compared with the He-Rb(2) interaction, while the rare gas atom moiety presents, in turn, a shell-like structure with ten He adatoms completing the first shell. Our results agree with previous findings on this and similarly weakly interacting systems.

Spin-polarized Rb2 interacting with bosonic He atoms: potential energy surface and quantum structures of small clusters.

A new full-dimension potential energy surface of the three-body He-Rb2(³Σ(u)(+)) complex and a quantum study of small (4He)(N)-Rb2(³Σ(u)(+)) clusters, 1 ≤ N ≤ 4, are presented. We have accurately fitted the ab initio points of the interaction to an analytical form and addressed the dopant's vibration, which is found to be negligible. A Variational approach and a Diffusion Monte Carlo technique have been applied to yield energy and geometric properties of the selected species. Our quantum structure calculations show a transition in the arrangements of the helium atoms from N = 2, where they tend to be separated across the diatomic bond, to N = 4, in which a closer packing of the rare gas particles is reached, guided by the dominance of the He-He potential over the weaker interaction of the latter adatoms with the doping dimer. The deepest well of the He-Rb2 interaction is placed at the T-shape configuration, a feature which causes the dopant to be located as parallel to the helium "minidroplet". Our results are shown to agree with previous findings on this and on similar systems.

[Morbidity and costs in complete thyroidectomies. Improvement in Value of the Process by a change in the management]. / Morbilidad y costes en las tiroidectomías totales. Mejora del Valor del Proceso mediante el cambio de gestión.

OBJECTIVES: 1) To present the postoperative morbidity of complete thyroidectomies and the results of their clinical management and costs obtained after surgery. 2) To compare the results obtained for the morbidity and costs in the complete thyroidectomy Process, after the management changes introduced by the Endocrine Surgical Unit (ESU). 3) To define whether these changes improve the Value (benefit/cost ratio) of the Process. MATERIAL AND METHODS: Prospective study of cohorts conducted on 529 complete thyroidectomies performed between 1998 and 2011. We present their clinical-pathological characteristics and we compare the clinical and management results obtained after surgery in 2 time periods: 1998-2006 without ESU (group 1, 205 patients) and 2007-2011 with ESU (group 2, 324 patients). The clinical results and the possible benefits are assessed by studying the morbimortality (recurrent lesions, hypocalcaemia [<8 mg/dl], suffocative haematomas and bleeding), and those of management, for the evaluation of the use of operating room time, the average stay and the total cost of the Process. The statistical comparison study was made using Student t test, for the comparison of means and the Chi(2) to compare percentages, accepting P<.05 as significant. RESULTS: The global percentage of transient recurrent dysfunctions (TRD) was 6%, and for definitive recurrent paralysis (DRP) it was 1.5%. Hypocalcaemia, at 24 hours was 54.6%, at one month 7%, at six months 6.2% and that of definitive hypoparathyroidism 1.3%. There were 2.8% of suffocative haematomas and 2% adverse effects. The mean surgical time was 98 minutes, and the average stay was 3.66 days. In the comparison of results of the groups, the ESU improved the TRD index by nearly 7 points (10.2 vs. 3.4%, P=.002), that of DRP by 1.5 (2.4 vs. 0.4%; P=.3) until reaching under 1%. The figures on bleeding at 24 hours (53 vs. 44 cc; P=.002) and 48 hours (23 to 17 cc; P<.001), the rate of haematomas by another 6 points (6.3 vs. 0.6%; P<.001), and that of hypocalcaemia at 24 hours (P=.01). The average stay also improved (4.79 vs. 2.94 days; P<.001), the use of operating room time (reduced by 20 minutes/operation; P<.001), the total cost of the Process, decreasing by more than € 2,000/Process (P<.001), and produced a total savings for the hospital in the period of study of € 665,820. CONCLUSIONS: 1) The global results (post-operative morbidity) of our total thyroidectomies are within the quality standards. 2) The surgical specialisation and the changes introduced by the ESU improved the clinical results (greater benefit) and those of management, cutting down the average stay and the operating room usage time and decreasing costs. 3) The change in management increased the Value of the Process.

Morbilidad Postoperatoria en cirugía Tiroidea / Postoperative Morbidity in Thyroid surgery

OBJETIVOS. Presentar la morbilidad de nuestra cirugía tiroidea, relacionándola con el diagnóstico clínico, tipo de cirugía y, cuando se realiza, la “disección central”. MATERIAL Y MÉTODO. Estudio prospectivo de cohortes (1.998-2.010). 772 pacientes tratados mediante tiroidectomías, 266 lobectomías, 444 tiroidectomías totales simples y 62 con “disección central”. Describimos sus características clínicopatológicas y morbilidad postoperatoria (lesiones recurrenciales, hipocalcemia <8 mgrs/dl y hematomas sofocantes) relacionándola con el diagnóstico clínico y tipo de cirugía efectuada. Comparación estadística mediante mediante la Chi2 (p<0,05). RESULTADOS. El porcentaje de disfunciones recurrenciales transitorias (DRT) fue 7,6%. El de parálisis recurrenciales definitivas (PRD) de 1,42%. El de hipocalcemias, a las 24 horas, de 57,7%, al mes de 10,8%, a los seis meses de 6,85% y el de hipoparatiroidismo definitivo de 0,5%. Hubo 2,9% de hematomas sofocantes y 2% de secuelas. La afectación recurrencial y la hipocalcemia fueron mayores en la E. Basedow y los carcinomas que en el BMN y nódulos solitarios (p<0,001). Hubo también diferencias en la incidencia de DRT y de hipocalcemias, mayor en las tiroidectomías totales con “disección central” que en las totales simples, y en estas que en las parciales (p<0,001), pero no en la de PRD y secuelas. CONCLUSIONES. 1. La cirugía de los carcinomas y E. Basedow aumenta la morbilidad postoperatoria. 2. La “disección central” asociada a tiroidectomía total produce más morbilidad que las totales simples y ambas más que las parciales. 3. La indicación de realizar la “disección central” profiláctica debería adecuarse a cada paciente valorando el riesgo-beneficio (AU)

OBJECTIVES. To present the morbidity of our thyroid surgery, relating it to the clinical diagnosis, type of surgery and, when itis done, the "central dissection". MATERIALS AND METHOD. Prospective study of cohorts (1998-2010), conducted on 772 patients treated by thyroidectomies, 266 lobectomies, 444 simple total thyroidectomies and 62 with "central dissection". We describe their clinicopathological characteristics and postoperative morbidity (recurrent lesions, hypocalcemia <8 mgrs/dl and suffocating hematomas) relating them to the clinical diagnosis and type of surgery performed. Statistical comparison by means of Chi2 (p<0.05). RESULTS. The percentage of transient recurrent dysfunctions (TRD) was 7.6%. That of definitive recurrent paralysis (DRP) was 1.42%. That of hypocalcemia, at 24 hours, was 57.7%, at one month 10.8%, at six months 6.85% and that of definitive hypoparathyroidism was 0.5%. There were 2.9% of suffocating hematomas and 2% of sequelae. he recurrent affection and hypocalcemia were greater in Grave's Disease and in carcinomas than in the MNG and solitary nodules (p<0.001). There were also differences in the incidence of TRD and of hypocalcemia, greater in the total thyroidectomies with "central dissection" than in the simple total thyroidectomies, and greater in these than in the partial (p<0,001), but not in the DRP and sequelae (AU)

Efecto del consumo de harina de maíz fortificada con acido fólico sobre los niveles de folatos sanguíneos en mujeres de edad fértil / Effect of fortified flour consumption on blood folate levels in women of childbearing age

Fortification of foods is now widely used to prevent folate deficiency. Folic acid has been added to corn flour and its efficacy in the prevention of NTD has been proved. The aim of this study was to compare the effect of the intake of fortified corn-flour versus non fortified flour and to folic acid supplement, on blood folate levels in women of childbearing age. Forty-five women were randomized into three groups according to: (A) use of fortified flour (n=18), (B) non-fortified flour (n=17); (C) supplementation with 5 mg of oralfolic acid (n=10). All females answer a dietary and anthropometric questionnaire applied once a month during three months. Blood red cell (IE) and plasmatic (P) folate were measured at the beginning and at the end of the study; also the DNA analysis for the 677T mutation was performed. The corn flour was provided to groups A and B during three months, to be consumed as eight tortillas daily. Group C received 5.0 mg tablet of folic acid (Valdecasas®), once per week, during three months. IE and P folate and hematocrito were significantly increased in women from group C (p<0.05). Only plasmatic folic acid levels were significantly increased in women from groups A and B. Genotype distribution was: 15.6 percent homozygous TT, 42.2 percent C/C and 42.2 percent CT. Weekly administration of 5.0 mg of folic acid is an effective way to increase blood folate levels and shows to be more efficient than fortified corn flour.

La fortificación de alimentos con ácido fólico puede ser efectiva en la prevención de los defectos del tubo neural, aunque no existen estudios que demuestren la eficacia de esta medida en la harina de maíz. El objetivo del estudio fue evaluar el efecto del consumo de harina de maíz vitaminada sobre los niveles de folatos sanguíneos, en comparación con la suplementación oral. Se incluyeron 45 mujeres en edad fértil aleatorizadas en tres grupos; grupo A (n=18) harina vitaminada, grupo B (n=17) harina sin vitaminas, grupo C (n=10) suplemento oral 5.0 mg de ácido fólico una vez por semana, durante tres meses. A las participantes se les aplicó una encuesta nutricional y se les midió por radioinmunoensayo el folato intraeritrocitario (FIE) y plasmático (FP) al inicio y final del estudio y se determinó la presencia del polimorfismo C677T del gen MTHFR. En las mujeres con suplemento oral los niveles FIE y FP y el hematocrito se incrementaron significativamente (p< 0.05), mientras que en los grupos A y B se registró un incremento significativo en los valores de FP pero no IE ni hematocrito. La ingesta de otras fuentes de ácido fólico se incrementó significativamente en los grupos A y B. El 15.6 por ciento de las mujeres fueron homocigotas TT, 42.2 por ciento homocigotas CC y 42.2 por ciento heterocigotas CT. La administración de 5 mg de ácido fólico por semana es una medida más eficiente que la ingesta de harina de maíz vitaminada para elevar los niveles de folatos.

Frequency domain description of Kohlrausch response through a pair of Havriliak-Negami-type functions: an analysis of functional proximity.

An approximation to the Fourier transform (FT) of the Kohlrausch function (stretched exponential) with shape parameter 0 < ß ≤ 1 is presented by using Havriliak-Negami-like functions. Mathematical expressions to fit their parameters α, γ, and τ, as functions of ß (0 < ß ≤ 1 and 1 < ß < 2) are given, which allows a quick identification in the frequency domain of the corresponding shape factor ß. Reconstruction via fast Fourier transform of frequency approximants to time domain are shown as good substitutes in short times though biased in long ones (increasing discrepancies as ß â†’ 1). The method is proposed as a template to commute time and frequency domains when analyzing complex data. Such a strategy facilitates intensive algorithmic search of parameters while adjusting the data of one or several Kohlrausch-Williams-Watts relaxations.

A new accurate and full dimensional potential energy surface of H5(+) based on a triatomics-in-molecules analytic functional form.

In this work a reliable full nine-dimensional potential energy surface for studying the dynamics of H(5)(+) is constructed, which is completely symmetric under any permutation of the nuclei. For this purpose, we develop a triatoms-in-molecules method as an extension of the more common diatoms-in-molecules one, which allows a very accurate description of the asymptotic regions by including correctly the charge-induced dipole and quadrupole interactions. Moreover, this treatment provides a semiquantitative description of all the topological features of the global potential compared with coupled cluster results. In particular, the hop of the proton between two H(2) fragments produces a double well in the potential. This resonant structure involving the five atoms produces a stabilization, lowering the barrier, and the triatoms-in-molecules yields to a barrier significantly higher than the ab initio results. Therefore, to improve the triatomics-in-molecules potential surface, two five-body terms are added, which are fitted to more than 110,000 coupled-cluster ab initio points. The global potential energy surface thus obtained in this work has an overall root mean square error of 0.079 kcal/mol for energies below 27 kcal/mol above the global well. The features of the potential are described and compared with previous available surfaces.

A path-integral Monte Carlo study of a small cluster: The Ar trimer.

The Ar(3) system has been studied between T=0 K and T=40 K by means of a path-integral Monte Carlo (PIMC) method. The behavior of the average energy in terms of the temperature has been explained by comparison with results obtained with the thermal averaged rovibrational spectra estimated via: (i) a quantum mechanical method based on distributed Gaussian functions for the interparticle distances and (ii) an analytical model which precisely accounts for the participation of the dissociative continua Ar(2)+Ar and Ar+Ar+Ar. Beyond T approximately 20 K, the system explores floppier configurations than the rigid equilateral geometry, as linear and Ar-Ar(2)-like arrangements, and fragmentates around T approximately 40 K. A careful investigation of the specific heat in terms of a confining radius in the PIMC calculation seems to discard a proper phase transition as in larger clusters, in apparent contradiction with previous reports of precise values for a liquid-gas transition. The onset of this noticeable change in the dynamics of the trimer occurs, however, at a remarkably low value of the temperature in comparison with Ar(n) systems formed with more Ar atoms. Quantum mechanical effects are found of relevance at T

A density-division embedding potential inversion technique.

A new method is proposed to partition the density of a system in two portions. The density on each subsystem is the solution of a Fock equation modified by the addition of an embedding potential. This embedding potential is obtained iteratively by minimizing the difference between the electronic densities of the total system and the sum of the subsystems. Thus, the electronic density partition and the embedding potential are obtained at the same time within the procedure, guaranteeing the v-representability of the densities partitioned. This fact is a considerable improvement of a recently proposed embedding potential inversion technique, [O. Roncero, M. P. de Lara-Castells, P. Villarreal, F. Flores, J. Ortega, M. Paniagua, and A. Aguado, J. Chem. Phys. 129, 184104 (2008)], in which the embedding potential is obtained once the electronic density is previously partitioned. The method is first applied to a linear H(10) chain to illustrate how it works. The orbitals obtained are localized on each subsystem, and can be used to include local electronic correlation with currently available ab initio programs. Finally, the method is applied to include the electronic correlation needed to describe the van der Waals interaction between H(10) chains and H(2) molecules, of approximately 12 meV, giving very accurate results.