295 research outputs found
Aqueous Solvation of SmI2: A Born-Oppenheimer Molecular Dynamics Density Functional Theory Cluster Approach
No full textbibtex: ISI:000397546100011 bibtex\location:'1155 16TH ST, NW, WASHINGTON, DC 20036 USA',publisher:'AMER CHEMICAL SOC',type:'Article',affiliation:'Ramirez-Solis, A (Reprint Author), Univ Autonoma Estado Morelos, Ctr Invest Ciencias IICBA, Dept Fis, Cuernavaca 62209, Morelos, Mexico. Ramirez-Solis, A., Univ Autonoma Estado Morelos, Ctr Invest Ciencias IICBA, Dept Fis, Cuernavaca 62209, Morelos, Mexico. Amaro-Estrada, J. I.; Hernandez-Cobos, J., UNAM, Inst Ciencias Fis, Cuernavaca 62210, Morelos, Mexico. Maron, L., Univ Toulouse, INSA CNRS UPS, Lab Phys & Chim Nano Objets, 135 Ave Rangueil, F-31077 Toulouse, France.','author-email':'[email protected]',da:'2018-12-05','doc-delivery-number':'EP7GM','funding-acknowledgement':'CONACYT Basic Science project [253679]; DGAPA-UNAM','funding-text':'We thank E. Sanchez-Marcos and the reviewers for their valuable comments. A.R.-S. acknowledges support from CONACYT Basic Science project number 253679. J.I.A.-E. acknowledges a DGAPA-UNAM postdoctoral fellowship.','journal-iso':'J. Phys. Chem. A','keywords-plus':'SAMARIUM DIIODIDE; ELECTRON-TRANSFER; ORGANIC-SYNTHESIS; PROTON DONORS; REDUCTION; IODIDE; PSEUDOPOTENTIALS; CYCLIZATIONS; DERIVATIVES; CHEMISTRY','number-of-cited-references':'39','orcid-numbers':'Ramirez-Solis, Alejandro/0000-0002-8428-5714','research-areas':'Chemistry; Physics','times-cited':'7','unique-id':'ISI:000397546100011','usage-count-last-180-days':'1','usage-count-since-2013':'16','web-of-science-categories':'Chemistry, Physical; Physics, Atomic, Molecular & Chemical'\International audienceWe report the results of Born-Oppenheimer molecular dynamics (BOMD) simulations on the aqueous solvation of the SmI2 molecule at room temperature using the cluster microsolvation approach including 32 water molecules. The electronic structure calculations were done using the M062X hybrid exchange-correlation functional in conjunction with the 6-31G** basis sets for oxygen and hydrogen. For the iodine and samarium atoms the Stuttgart Koln relativistic effective core potentials were utilized with their associated valence basis sets. Starting from the optimized geometry of SmI2 embeded in the microsolvation environment, we find a swift substitution of the iodine ions by eight tightly bound water molecules around Sm(II). Through the Sm-O radial distribution function and the evolution of the Sm-O distances, the present study predicts a first rigid Sm(II) solvation shell from 2.6,to 3.4 (A) over circle, whose integration leads to a coordination number of 8.4 water molecules, and a second softer solvation sphere from 3.5 to ca. 6 (A) over circle. The Sm(II)-O radial distribution function is in excellent agreement with that reported for Sr2+ from:EXATS studies, a fact that can be explained because Sr2+ and Sm2+ have almost identical ionic radii (ca. 1.26 (A) over circle) and coordination numbers: 8 for Sr2+ and 8.4 for Sm2+. The theoretical EXAFS spectrum was obtained from the BOMD trajectory and is discussed in the light ofthe experimental spectra for Sm(III). Once microsolvation is achieved, no water exchange events were found to occur around Sm2+, in agreement with the experimental data for Eu2+ (which has a nearly identical charge-to-ionic radius relation as Sm2+),-where the mean residence time of a water molecule in [Eu(H2O)(8)](2+) is known to be ca. 230 ps
Experiencia sobre la utilizacion de un biosimulador inanimnado para desarrollo de destreza en pericardiocentesis
No full textAqueous Solvation of SmI2: A Born-Oppenheimer Molecular Dynamics Density Functional Theory Cluster Approach
No full textbibtex: ISI:000397546100011 bibtex\location:'1155 16TH ST, NW, WASHINGTON, DC 20036 USA',publisher:'AMER CHEMICAL SOC',type:'Article',affiliation:'Ramirez-Solis, A (Reprint Author), Univ Autonoma Estado Morelos, Ctr Invest Ciencias IICBA, Dept Fis, Cuernavaca 62209, Morelos, Mexico. Ramirez-Solis, A., Univ Autonoma Estado Morelos, Ctr Invest Ciencias IICBA, Dept Fis, Cuernavaca 62209, Morelos, Mexico. Amaro-Estrada, J. I.; Hernandez-Cobos, J., UNAM, Inst Ciencias Fis, Cuernavaca 62210, Morelos, Mexico. Maron, L., Univ Toulouse, INSA CNRS UPS, Lab Phys & Chim Nano Objets, 135 Ave Rangueil, F-31077 Toulouse, France.','author-email':'[email protected]',da:'2018-12-05','doc-delivery-number':'EP7GM','funding-acknowledgement':'CONACYT Basic Science project [253679]; DGAPA-UNAM','funding-text':'We thank E. Sanchez-Marcos and the reviewers for their valuable comments. A.R.-S. acknowledges support from CONACYT Basic Science project number 253679. J.I.A.-E. acknowledges a DGAPA-UNAM postdoctoral fellowship.','journal-iso':'J. Phys. Chem. A','keywords-plus':'SAMARIUM DIIODIDE; ELECTRON-TRANSFER; ORGANIC-SYNTHESIS; PROTON DONORS; REDUCTION; IODIDE; PSEUDOPOTENTIALS; CYCLIZATIONS; DERIVATIVES; CHEMISTRY','number-of-cited-references':'39','orcid-numbers':'Ramirez-Solis, Alejandro/0000-0002-8428-5714','research-areas':'Chemistry; Physics','times-cited':'7','unique-id':'ISI:000397546100011','usage-count-last-180-days':'1','usage-count-since-2013':'16','web-of-science-categories':'Chemistry, Physical; Physics, Atomic, Molecular & Chemical'\International audienceWe report the results of Born-Oppenheimer molecular dynamics (BOMD) simulations on the aqueous solvation of the SmI2 molecule at room temperature using the cluster microsolvation approach including 32 water molecules. The electronic structure calculations were done using the M062X hybrid exchange-correlation functional in conjunction with the 6-31G** basis sets for oxygen and hydrogen. For the iodine and samarium atoms the Stuttgart Koln relativistic effective core potentials were utilized with their associated valence basis sets. Starting from the optimized geometry of SmI2 embeded in the microsolvation environment, we find a swift substitution of the iodine ions by eight tightly bound water molecules around Sm(II). Through the Sm-O radial distribution function and the evolution of the Sm-O distances, the present study predicts a first rigid Sm(II) solvation shell from 2.6,to 3.4 (A) over circle, whose integration leads to a coordination number of 8.4 water molecules, and a second softer solvation sphere from 3.5 to ca. 6 (A) over circle. The Sm(II)-O radial distribution function is in excellent agreement with that reported for Sr2+ from:EXATS studies, a fact that can be explained because Sr2+ and Sm2+ have almost identical ionic radii (ca. 1.26 (A) over circle) and coordination numbers: 8 for Sr2+ and 8.4 for Sm2+. The theoretical EXAFS spectrum was obtained from the BOMD trajectory and is discussed in the light ofthe experimental spectra for Sm(III). Once microsolvation is achieved, no water exchange events were found to occur around Sm2+, in agreement with the experimental data for Eu2+ (which has a nearly identical charge-to-ionic radius relation as Sm2+),-where the mean residence time of a water molecule in [Eu(H2O)(8)](2+) is known to be ca. 230 ps
Funcionalidad familiar y adherencia al tratamiento en pacientes con tuberculosis pulmonar que acuden al Centro de Salud Collique III zona, Comas – 2021
No full textObjetivo: determinar la relación entre funcionalidad familiar y adherencia al tratamiento terapéutica en pacientes con tuberculosis pulmonar que acuden al Centro de Salud Collique III Zona, Comas – 2021. Materiales y métodos: enfoque cuantitativo, diseño transversal y correlacional. La muestra estuvo conformada por 62 pacientes con tuberculosis pulmonar, del Centro de Salud Gustavo Lanatta, 2020. Los instrumentos utilizados fueron el APGAR familiar y una ficha de recolección de datos. Resultados: Respecto a la edad de los participantes del estudio, se determinó que la edad promedio fue 34,81 años, la mayoría (n=37) fueron de sexo femenino, con un 59,7%. Además, el 51,6% (n=32) fueron convivientes, En cuanto al grado de instrucción, el 53,2% (n=33) tuvieron secundaria completa, el 24,2% (n=15) tuvieron superior técnica completa. Se determinó que el 46,8% (n=29) tuvo buena funcionalidad, 19,4% (n=12) tuvo disfunción familiar leve, 25,8% (n=16) tuvo disfunción familiar moderada y el 8;1% (n=5) tuvo disfunción familiar severa. Se determinó que el 38,7% (n=24) fueron adherentes; mientras que, el 61,3% (n=38) fueron no adherentes al tratamiento de tuberculosis. Se encontró una relación estadística entre ambas variables, con un valor p=0,04. Conclusiones: Existe una relación entre funcionalidad familiar y adherencia al tratamiento terapéutica en pacientes con tuberculosis pulmonar que acuden al Centro de Salud Collique III Zona, Comas – 202
Production of novel taxane intermediates of anticancer drug Taxol using microbial consortia
No full textPaclitaxel —commercially known as taxol— is one of the most widely used drugs to treat different types of cancer. Its production using microbial platforms has been challenging due to the complexity of the molecule and the difficulty of expressing functional enzymes. Expression of many heterologous enzymes in microorganisms often leads to an increased metabolic burden that usually causes growth and production decrease. Division of Labour can offer great advantages as the metabolic burden can be divided into two or more specialised organisms.
In this work, the use of microbial consortia to produce oxygenated and acetylated paclitaxel precursors was examined. The aim of Chapter 3 was specialisation by engineering various GAL80 mutant strains which could produce taxanes without the need for galactose for induction, and to further expand the Taxol metabolic pathway by incorporating the enzyme Taxane-10-Hydroxylase (T10ßOH). Using glucose showed a decreased Taxadiene production of up to 50% in comparison to galactose, probably because MIG1 is believed to cause repression in the presence of this sugar. Sucrose and fructose yielded very poor taxadiene results around 90% lower than galactose to produce taxanes. Conversely, using raffinose yielded the best production for Taxa-4, 11-dien-5a-yl acetate (T5αAc) at 72 ± 15 mg/L which represented a 7-fold increase compared to previous literature data. Despite the good production results with raffinose and galactose, the T10ßOH product was not detected.
The next section aimed to develop microbial consortia and an inoculum engineering strategy to enable the production of T10ß-ol. Different plasmids carrying the T5αOH, TAT and T10OH enzymes were assembled for expression in an engineered ethanologenic E. coli capable of growing on xylose. As result, the product of the T10ßOH enzyme was detected and quantified for the first time using the consortia. A production of 8 ± 0.30 mg/L of T10ßol was found when fermenting glucose with a yeast strain with GAL80 deletion which was only capable of producing taxadiene proving that the pathway was efficiently divided. Finally, as a second approach, two plasmids carrying TAT and T10ßOH enzymes were assembled to form a consortium integrated by two S. cerevisiae strains. The inoculation ratio of 3:1 (EJ2 10ß: EJ2 TAT) resulted in a production of 26.5 ±5 mg/L of Taxa-4, 11-dien-5α-acetoxy-10-ol (T10ßol), the highest ever reported for this compound. It is important to mention that this consortium was the most ambitious of all as it involved 2 different yeast strains plus 3 different bacteria strains, which to the best of our knowledge is one of the most successful and complex consortia including five microorganisms diving a synthetic pathway and achieving true synergy to divide the metabolic burden among the consortia.
Following the detection of T10ßol, we aimed to test a novel enzyme candidate (T1ßOH) to produce the next paclitaxel intermediate taxadiene-5a-acetoxy-1a,10b-diol (T1ß-ol) using optimized co-cultures described in chapter 4. After adjusting inoculation ratios and other parameters based on the evidence obtained from previous experiments we managed to detect and quantify the new T1ß-ol compound with an estimated production of 45 ±3 mg/L.
The strategies of inoculum engineering, microbial consortia and conversion towards constitutive expression have shown to be very suitable to expand and optimize the paclitaxel metabolic pathway. These strategies also proved effective for the detection and production of a new compound highlighting the potential for its application in other metabolic routes practically and rapidly
FRECUENCIA DE INFARTO AGUDO AL MIOCARDIO COMO COMPLICACION DE LA HEMORRAGIA DE TUBO DIGESTIVO ALTO EN EL SERVICIO DE URGENCIAS
No full textIntroducción: La hemorragia de tubo digestivo alto es una causa común de ingreso
hospitalario por lo que determinaremos la frecuencia de Infarto Agudo al Miocardio
como complicación de la misma en el servicio de urgencias.
Material y métodos: Se realizo un estudio de tipo transversal y prospectivo; de
pacientes ingresados al servicio de Urgencias en el periodo comprendido del 1
noviembre del 2009 al 31 de octubre del 2010 con diagnostico de Hemorragia de
Tubo Digestivo Alto con revisión de estudios electrocardiográficos y enzimáticos
de CK y CK MB seriados en 24 hrs, los cuales se sometieron a evaluación por un
Cardiólogo en un estudio ciego simple.
Resultados y conclusiones: Se incluyeron 41 pacientes, 14 mujeres (34%) y 27
hombres (66%); edad promedio de 65 años, encontrando asociación entre
hemorragia de tubo digestivo alto e Infarto Agudo al Miocardio en un 12%
cumpliendo criterios enzimáticos y electrocardiográficos
FRECUENCIA DE INFARTO AGUDO AL MIOCARDIO COMO COMPLICACION DE LA HEMORRAGIA DE TUBO DIGESTIVO ALTO EN EL SERVICIO DE URGENCIAS
No full textIntroducción: La hemorragia de tubo digestivo alto es una causa común de ingreso
hospitalario por lo que determinaremos la frecuencia de Infarto Agudo al Miocardio
como complicación de la misma en el servicio de urgencias.
Material y métodos: Se realizo un estudio de tipo transversal y prospectivo; de
pacientes ingresados al servicio de Urgencias en el periodo comprendido del 1
noviembre del 2009 al 31 de octubre del 2010 con diagnostico de Hemorragia de
Tubo Digestivo Alto con revisión de estudios electrocardiográficos y enzimáticos
de CK y CK MB seriados en 24 hrs, los cuales se sometieron a evaluación por un
Cardiólogo en un estudio ciego simple.
Resultados y conclusiones: Se incluyeron 41 pacientes, 14 mujeres (34%) y 27
hombres (66%); edad promedio de 65 años, encontrando asociación entre
hemorragia de tubo digestivo alto e Infarto Agudo al Miocardio en un 12%
cumpliendo criterios enzimáticos y electrocardiográficos.Introduction: Upper gastrointestinal bleeding is a common cause of hospitalization
for what will determine the frequency of myocardial infarct as a complication of it in
the emergency department.
Methods: A study was conducted cross-sectional and prospective, of patients
admitted to the emergency department in the period from November 1, 2009 to
October 31, 2010 with a diagnosis of upper gastrointestinal hemorrhage with a
review of electrocardiographic and enzymatic studies of CK and CK MB serial in 24
hrs, which underwent evaluation by a cardiologist in a single-blind study.
Results and conclusions: The study included 41 patients, 14 women (34%) and 27
men (66%), mean age 65 years, found association between upper gastrointestinal
bleeding and myocardial infarct by 12% meet criteria enzymatic and
electrocardiographic.
Conclusions: The study data suggest that the myocardial infarct is a complication
that can occur mostly in elderly patients with silent ischaemia or atypical
presentations of the same in patients with upper gastrointestinal bleeding.ESPECIALIDAD EN URGENCIAS MÉDICO QUIRÚRGICASPD
Estudio del Mercado de valores y proyecto de una sociedad de inversion estatal como respuesta a la problematica actual
No full textInvestigacion contable y financiera del Instituto del Fondo Nacional para la Vivienda de los Trabajadores
No full textActive tuberculosis patients have high levels of IgA anti-alpha-crystallin and isocitrate lyase proteins
No full textTo identify proteins synthetised by Mycobacterium tuberculosis in hypoxic culture, which resemble more closely a granuloma environment than aerobic culture, and to determine if they are recognised by antibodies from patients with active pulmonary tuberculosis (PTB).
Soluble extracts from M. tuberculosis H37Rv cultured under aerobic or hypoxic conditions were analysed using two-dimensional polyacrylamide gel electrophoresis, and proteins over-expressed under hypoxia were identified by mass spectrometry. The presence of immunoglobulin (Ig) G, IgA and IgM antibodies against these proteins was determined in the serum of 42 patients with active PTB and 42 healthy controls.
We selected three M. tuberculosis H37Rv proteins (alpha-crystallin protein [Acr, Rv2031c], universal stress protein Rv2623 and isocitrate lyase [ICL, RV0467]) that were over-expressed under hypoxia. Titres of anti-Acr and anti-ICL IgA antibodies were higher in patients than in healthy controls, with an area under the receiver operating characteristic curve of 0.71 for anti-ICL IgA antibodies.
ICL could be used in combination with other M. tuberculosis antigens to improve the sensitivity and specificity of current serological TB diagnostic methods
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