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1.
Phys Chem Chem Phys ; 26(13): 10021-10028, 2024 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-38482754

RESUMO

cis-2-tert-Butyl-5-(tert-butylsulfonyl)-1,3-dioxane (cis-1) exhibits a high degree of eclipsing in the H-C5-S-C segment in the solid state, the origin of which remains unexplained. The eclipsed conformation that corresponds to an energetic minimum in the solid state practically corresponds to a rotational transition state in solution, which allows an approach to understand transitions states. The difference in the enthalpy of sublimation ΔsubH between cis-1 and the more stable trans-1 is 8.40 kcal mol-1, lets to consider that the intermolecular interactions in the crystalline structure must be responsible for the conformational effect observed in the solid state. The study of the experimental electron density of cis-1 in solid state allowed to establish that CH⋯OS intermolecular interaction is the main contribution to the observed eclipsing. The charge density analysis was also performed using the quantum theory of atoms in molecules to evaluate the nature and relevance of the intermolecular interactions in the crystal structure.

2.
J Org Chem ; 89(1): 257-268, 2024 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-38100710

RESUMO

Tricyclic orthoamides are valuable molecules with wide-ranging applications, including organic synthesis and molecular recognition. Their structural properties make them intriguing, particularly the eclipsed all-trans conformer, which is typically less stable than the alternated conformation and is a rare phenomenon in organic chemistry. However, it gains stability in crystalline and hydrated settings, challenging the existing theoretical explanations. This study investigates which factors make eclipsed conformers more stable using experimentally reported anhydrous (ATO) and hydrated (HTO) crystal structures. Employing the quantum theory of atoms in molecules, noncovalent interaction index, and pairwise energy decomposition analysis, we delve into the noncovalent interaction environment surrounding the molecule of interest. In ATO, dispersive interactions dominate, whereas in HTO, both dispersive and electrostatic contributions are observed due to the presence of water molecules. Anchored to the lone pairs of the nitrogen atom in the orthoamide tricycle, water molecules prompt the methyl group's eclipsing through intermolecular and intramolecular interactions. This work resolves the long-standing conflict behind why tricyclic orthoamide has an eclipsed conformation by establishing the stabilization factors. These insights have implications for crystal engineering and design, enhancing our understanding of structural behavior in both crystalline and hydrated environments.

3.
PLoS One ; 18(2): e0277073, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36763579

RESUMO

The infection caused by the influenza virus is a latent tret. The limited access to vaccines and approved drugs highlights the need for additional antiviral agents. Nucleozin and its analogs have gain attention for their promising anti-influenza activity. To contribute to the advancement of the discovery and design of nucleozin analogs, we analyzed piperazine-modified nucleozin analogs to increase conformational freedom. Also, we describe a new synthetic strategy to obtain nucleozin and its analogues, three molecules were synthesized and two of them were biologically evaluated in vitro. Although the analogues were less active than nucleozin, the loss of activity highlights the need for the piperazine ring to maintain the activity of nucleozin analogs. Interestingly, this result agrees with the prediction of anti-influenza activity made with a QSAR model presented in this work. The proposed model and the synthetic route will be useful for the further development of nucleozin analogs with antiviral activity.


Assuntos
Vacinas contra Influenza , Influenza Humana , Humanos , Piperazina , Influenza Humana/tratamento farmacológico , Antivirais/farmacologia
4.
Laryngoscope ; 133(9): 2425-2427, 2023 09.
Artigo em Inglês | MEDLINE | ID: mdl-36583419

RESUMO

Various techniques for tracheoesophageal fistula cannulation have been reported. In this case, we created a loop using a plastic catheter. The loop allowed us to create traction for rapid intraoperative localization and to pull a difficult-to-reach fistula, superiorly into the neck, to be reached through a cervical approach. Laryngoscope, 133:2425-2427, 2023.


Assuntos
Fístula Traqueoesofágica , Humanos , Fístula Traqueoesofágica/cirurgia , Pescoço , Cateterismo
5.
J Org Chem ; 86(14): 9540-9551, 2021 Jul 16.
Artigo em Inglês | MEDLINE | ID: mdl-34210132

RESUMO

The cyclopropane ring-opening reaction of riolozatrione, a natural product obtained from Jatropha dioica, afforded a 2,2-disubstituted 1,3-cyclohexandione displaying an alkyl methyl ether group at position 5. The conformational analysis of this product showed a high preference for the trans-diaxial conformation in both solution and solid state. Such conformation was possible from the noncovalent intramolecular nX → π*C═O interactions (X = an element having an unshared electron pair), allowing the determination of the interaction energies. Since the nX → π*C═O interactions can be regarded as additive, the energy values ranged from 4.52 to 6.51 kcal mol-1 for each carbonyl group with a strong dependency on the interatomic distances. The rigorous analysis of the electron density in the topological theory of atoms in molecules framework clearly shows that the origin of O-C═O interactions are through the nO → π*C═O electron transfer mechanism. Such interactions are slightly weaker than a canonical hydrogen bond but seemingly stronger than a van der Waals interaction. This interaction must be considered as a stereoelectronic effect due the electronic transfer between the interacting groups, which are limited by their relative stereochemistry and can be represented by a bond-no bond interaction, causing the pyramidalization of the carbonyl, which is the charge acceptor group.

6.
Rev. Soc. Colomb. Oftalmol ; 54(1): 14-19, 2021. ilus
Artigo em Espanhol | LILACS, COLNAL | ID: biblio-1444986

RESUMO

Introducción: La grave limitación funcional que conlleva la ceguera o debilidad visual concede al trasplante de córnea un alto valor social, económico y humano. La calidad de vida relacionada con la salud se puede considerar como un indicador de calidad asistencial. Objetivo: Determinar la calidad de vida en pacientes adultos después del trasplante de córnea en un hospital de tercer nivel. Método: Con aprobación ética, se realizó un estudio transversal en pacientes trasplantados de córnea de 2012 a 2016. Se analizaron variables sociodemográficas, calidad de vida relacionada con la salud (SF-36) y agudeza visual en el ojo trasplantado (movimiento de manos, recuento de dedos y test de Snellen). Se aplicaron la prueba de ji cuadrado, el test de Kruskal-Wallis y el test de Wilcoxon; se consideró significativa una p < 0.05. Resultados: Se incluyeron 60 pacientes de 17 a 89 años de edad receptores de trasplante de córnea. El motivo de trasplante más frecuente fue por queratocono (n = 36). El 60% (n = 36) tuvieron buena visión después del trasplante y se hallaron diferencias significativas entre la agudeza visual del ojo trasplantado preoperatoria y posoperatoria (p = 0.000). La calidad de vida fue buena en el 86.67% de la muestra. Las dimensiones de la calidad de vida fueron mayores a medida que mejoró la agudeza visual (p < 0.05). Conclusiones: El seguimiento a pacientes trasplantados de córnea es indispensable para evaluar los resultados de la atención médica.


Introduction: The severe functional limitation that blindness or visual weakness entails gives a high social, economic and human value to corneal transplantation. The quality of life related to health can be considered as an indicator of quality of care. Objective: To determine the quality of life in adult patients, after the cornea transplant in a third level hospital. Method: With ethical approval, a cross-sectional survey was carried out in patients transplanted from the cornea from 2012 to 1016. Sociodemographic variables, quality of life related to health (SF-36) and visual acuity (hand movement, counting of fingers and Snellen test). Chi-square test, Kruskal-Wallis test, Wilcoxon test and p < 0.05 were considered significant. Results: We included 60 patients from 17 to 89 years of age, transplanted from the cornea. The most frequent reason for transplant was keratoconus (n = 36). Sixty percent (n = 36) had good vision after transplantation and significant differences were found between visual acuity before and after surgery (p = 0.000). The quality of life was good in 86.67% of the sample. The dimensions of quality of life were greater as visual acuity improved (p < 0.05). Conclusions: The follow-up of patients transplanted from the cornea is essential to evaluate the results of medical care


Assuntos
Humanos , Masculino , Feminino , Adolescente , Adulto , Pessoa de Meia-Idade , Idoso , Idoso de 80 Anos ou mais
7.
Carbohydr Res ; 486: 107821, 2019 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-31580966

RESUMO

Molecular recognition of saccharides is a growing field, which has many implications in cancer therapy, drug discovery, and cellular communication among others. The participation of CH/π interactions in this event is well known. Nevertheless, the intrinsic role of CH/π for modulating chemical reactions is still far from being applicable. In this experimental and computational work we have evaluated the participation of CH/π interactions in the aminolysis reaction of acetyl galactoside promoted with different 6-substituted 2(1H)-pyridones. Two features have been incorporated to the promoter molecular structure, on one end the promoting pyridone group and on the other end the recognition moiety, joined together by an alkyne spacer. The small increment in the observed pseudo-first-order rate constant values (kobs) was related to the stability of the transition state provided by noncovalent interactions, including CH/π interactions. A longer alkyne spacer was necessary to improve the molecular recognition of the galactoside substrate. The trend of the calculated activation energy values (ΔERTS) was in good accordance with the experimental rate constant values.


Assuntos
Galactosídeos/química , Teoria Quântica , Aminas/química , Configuração de Carboidratos , Ligação de Hidrogênio , Modelos Moleculares
8.
Salud Publica Mex ; 61(1): 35-45, 2019.
Artigo em Espanhol | MEDLINE | ID: mdl-30753771

RESUMO

OBJECTIVE: Develop and pilot indicators of quality of care to neonates with relevant conditions in Mexico (prematurity, neonatal sepsis, perinatal asphyxia, and intrauterine hypoxia). MATERIALS AND METHODS: Own indicators were built based on key recommendations of national clinical practice guidelines and indicators found in international repositories. With previous search, selection and prioritization, the indicators were piloted within two hospitals. The feasibility of measuring, (kappa index) reliability and usefulness was analyzed to detect quality problems. RESULTS: 23 indicators were selected and piloted, 12 are compounds, of the total, nine were feasible and reliable. The quality of the hospital's information was diverse and often poor, limiting both the feasibility and the reliability of the indicators. Improvement opportunities were identified thorough the compliance levels. CONCLUSIONS: A set of nine indicators valid, reliable, feasible and useful indicators is proposed in order to monitor the quality of care of pathological neonates.


OBJETIVO: Desarrollar y pilotar indicadores de calidad de la atención a neonatos con padecimientos relevantes en México (prematuridad, sepsis neonatal, asfixia perinatal e hipoxia intrauterina). MATERIAL Y MÉTODOS: Se construyeron indicadores propios a partir de recomendaciones clave de las guías de práctica clínica nacionales e indicadores encontrados en repositorios internacionales. Previa búsqueda, selección y priorización, los indicadores fueron pilotados en dos hospitales. Se analizó la factibilidad de medición, fiabilidad (índice kappa) y utilidad para detectar problemas de calidad. RESULTADOS: Se seleccionaron y pilotaron 23 indicadores; 12 eran compuestos. Del total, nueve fueron factibles y fiables. La calidad de la información en los hospitales fue diversa y frecuentemente deficiente, limitando tanto la factibilidad como la fiabilidad de los indicadores. Los niveles de cumplimiento identificaron oportunidades de mejora. CONCLUSIONES: Se propone un set de nueve indicadores válidos, factibles, fiables y útiles para la monitorización de la calidad en la atención a neonatos patológicos.


Assuntos
Asfixia Neonatal/epidemiologia , Hipóxia Fetal/epidemiologia , Sepse Neonatal/epidemiologia , Indicadores de Qualidade em Assistência à Saúde , Confiabilidade dos Dados , Feminino , Humanos , Recém-Nascido , Recém-Nascido Prematuro , Doenças do Prematuro/epidemiologia , Masculino , México/epidemiologia , Projetos Piloto , Guias de Prática Clínica como Assunto , Melhoria de Qualidade , Qualidade da Assistência à Saúde , Reprodutibilidade dos Testes
9.
Salud pública Méx ; 61(1): 35-45, ene.-feb. 2019. tab, graf
Artigo em Espanhol | LILACS | ID: biblio-1043356

RESUMO

Resumen: Objetivo: Desarrollar y pilotar indicadores de calidad de la atención a neonatos con padecimientos relevantes en México (prematuridad, sepsis neonatal, asfixia perinatal e hipoxia intrauterina). Material y métodos: Se construyeron indicadores propios a partir de recomendaciones clave de las guías de práctica clínica nacionales e indicadores encontrados en repositorios internacionales. Previa búsqueda, selección y priorización, los indicadores fueron pilotados en dos hospitales. Se analizó la factibilidad de medición, fiabilidad (índice kappa) y utilidad para detectar problemas de calidad. Resultados: Se seleccionaron y pilotaron 23 indicadores; 12 eran compuestos. Del total, nueve fueron factibles y fiables. La calidad de la información en los hospitales fue diversa y frecuentemente deficiente, limitando tanto la factibilidad como la fiabilidad de los indicadores. Los niveles de cumplimiento identificaron oportunidades de mejora. Conclusiones: Se propone un set de nueve indicadores válidos, factibles, fiables y útiles para la monitorización de la calidad en la atención a neonatos patológicos.


Abstract Objective: Develop and pilot indicators of quality of care to neonates with relevant conditions in Mexico (prematurity, neonatal sepsis, perinatal asphyxia, and intrauterine hypoxia). Materials and methods: Own indicators were built based on key recommendations of national clinical practice guidelines and indicators found in international repositories. With previous search, selection and prioritization, the indicators were piloted within two hospitals. The feasibility of measuring, (kappa index) reliability and usefulness was analyzed to detect quality problems. Results: 23 indicators were selected and piloted, 12 are compounds, of the total, nine were feasible and reliable. The quality of the hospital's information was diverse and often poor, limiting both the feasibility and the reliability of the indicators. Improvement opportunities were identified thorough the compliance levels. Conclusions: A set of nine indicators valid, reliable, feasible and useful indicators is proposed in order to monitor the quality of care of pathological neonates.


Assuntos
Humanos , Masculino , Feminino , Recém-Nascido , Asfixia Neonatal/epidemiologia , Indicadores de Qualidade em Assistência à Saúde , Hipóxia Fetal/epidemiologia , Sepse Neonatal/epidemiologia , Qualidade da Assistência à Saúde , Recém-Nascido Prematuro , Projetos Piloto , Reprodutibilidade dos Testes , Guias de Prática Clínica como Assunto , Melhoria de Qualidade , Confiabilidade dos Dados , Doenças do Prematuro/epidemiologia , México/epidemiologia
10.
J Korean Neurosurg Soc ; 61(3): 407-414, 2018 May.
Artigo em Inglês | MEDLINE | ID: mdl-29631381

RESUMO

OBJECTIVE: The purpose of the present study was to describe an OrBitoZygomatic (OBZ) surgical variant that implies the drilling of the orbital roof and lateral wall of the orbit without orbitotomy. METHODS: Design : cross-sectional study. Between January 2010 and December 2014, 18 patients with middle fossa lesions underwent the previously mentioned OBZ surgical variant. Gender, age, histopathological diagnosis, complications, and percentage of resection were registered. The detailed surgical technique is described. RESULTS: Of the 18 cases listed in the study, nine were males and nine females. Seventeen cases (94.5%) were diagnosed as primary tumoral lesions, one case (5.5%) presented with metastasis of a carcinoma, and an additional one had a fibrous dysplasia. Age ranged between 27 and 73 years. Early complications were developed in four cases, but all of these were completely resolved. None developed enophthalmos. CONCLUSION: The present study illustrates a novel surgical OBZ approach that allows for the performance of a simpler and faster procedure with fewer complications, and without increasing surgical time or cerebral manipulation, for reaching lesions of the middle fossa. Thorough knowledge of the anatomy and surgical technique is essential for successful completion of the procedure.

11.
ACS Omega ; 3(1): 536-543, 2018 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-31457911

RESUMO

Carbohydrate-protein interactions play an important role in many molecular recognition processes. An exquisite combination of multiple factors favors the interaction of the receptor with one specific type of sugar, whereas others are excluded. Stacking CH-aromatic interactions within the binding site provide a relevant contribution to the stabilization of the resulting sugar-protein complex. Being experimentally difficult to detect and analyze, the key CH-π interaction features have been very often dissected using a variety of techniques and simple model systems. In the present work, diffusion NMR spectroscopy has been employed to separate the components of sugar mixtures in different solvents on the basis of their differential ability to interact through CH-π interactions with one particular aromatic cosolute in solution. The experimental data show that the properties of the solvent did also influence the diffusion behavior of the sugars present in the mixture, inhibiting or improving their separation. Overall, the results showed that, for the considered monosaccharide derivatives, their diffusion coefficient values and, consequently, their apparent molecular sizes and/or shapes depend on the balance between solute/cosolute as well as solute/solvent interactions. Thus, in certain media and in the presence of the aromatic cosolute, the studied saccharides that are more suited to display CH-π interactions exhibited a lower diffusion coefficient than the noncomplexing sugars in the mixture. However, when dissolved in another medium, the interaction with the solvent strongly competes with that of the aromatic cosolute.

12.
Beilstein J Org Chem ; 13: 1969-1976, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-29062416

RESUMO

It has been proposed that elemanes are biogenetically formed from germacranes by Cope sigmatropic rearrangements. Normally, this reaction proceeds through a transition state with a chair conformation. However, the transformation of schkuhriolide (germacrane) into elemanschkuhriolide (elemane) may occur through a boat transition state due to the final configuration of the elemanschkuhriolide, but this transition state is questionable due to its high energy. The possible mechanisms of this transformation were studied in the density functional theory frame. The mechanistic differences between the transformation of (Z,E)-germacranes and (E,E)-germacranes were also studied. We found that (Z,E)-germacranolides are significantly more stable than (E,E)-germacranolides and elemanolides. In the specific case of schkuhriolide, even when the boat transition state is not energetically favored, a previous hemiacetalization lowers enough the energetic barrier to allow the formation of a very stable elemanolide that is even more stable than its (Z,E)-germacrane.

13.
J Nat Prod ; 80(8): 2252-2262, 2017 08 25.
Artigo em Inglês | MEDLINE | ID: mdl-28771358

RESUMO

The dichloromethane extract of the roots of Jatropha dioica afforded riolozatrione (1) and a C-6 epimer of riolozatrione, 6-epi-riolozatrione (2), as a new structure and only the second reported riolozane diterpenoid. The two known diterpenoids jatrophatrione (3) and citlalitrione (4) were also isolated and characterized. Both epimers 1 and 2 are genuine plant constituents, with 2 likely being the biosynthesis precursor of 1 due to the tendency for the quantitative transformation of 2 into 1 under base catalysis. The structural characterization and distinction of the stereoisomers utilized 1H iterative full-spin analysis, yielding complete J-correlation maps that were represented as quantum interaction and linkage tables. The absolute configuration of compounds 1-4 was established by means of vibrational circular dichroism and via X-ray diffraction analysis for 1, 2, and 4. Additionally, the cytotoxic and antiherpetic in vitro activities of the isolates were evaluated.


Assuntos
Diterpenos/isolamento & purificação , Diterpenos/farmacologia , Jatropha/química , Diterpenos/química , Ensaios de Seleção de Medicamentos Antitumorais , Humanos , Estrutura Molecular , Raízes de Plantas , Difração de Raios X
14.
Bol. méd. Hosp. Infant. Méx ; 74(2): 98-106, mar.-abr. 2017. tab, graf
Artigo em Espanhol | LILACS | ID: biblio-888603

RESUMO

Resumen: Introducción: El Programa de Estancias Infantiles (PEI) se enfoca en padres de niños de 1-3 años en situación de pobreza. Incluye educación y cuidado de los niños por 8 h, 5 días por semana. El objetivo del estudio fue evaluar la asociación entre el tiempo de permanencia en el PEI y el nivel de desarrollo infantil. Métodos: Estudio transversal de base poblacional en dos estados de México. Se incluyeron todos los niños de 12-48 meses inscritos al PEI de noviembre de 2014 a enero de 2015. Se evaluó el nivel de desarrollo con la prueba EDI. Se calculó la razón de momios de prevalencia (RMP) para desarrollo normal por tiempo de estancia, ajustado por sexo, edad y discapacidad, teniendo como referencia a los niños que tenían < 30 días en el PEI. Resultados: Se incluyeron 3387 niños de 177 estancias infantiles: 53% de sexo masculino; 22.3% de 12-24 meses, 37.6% de 25-36 meses y 40.1% de 37-42 meses de edad. El RMP ajustado para desarrollo normal fue de 1.90 (IC95%:1.30-2.78) para 6-11 meses, 2.36 (IC95%:1.60-3.50) para 12-17 meses, 2.78 (IC95%:1.65-4.65) para 18-23 meses y 3.46 (2.13-5.60) para > 24 meses. Por área de desarrollo, se observó una mayor probabilidad de desarrollo normal a partir de 6 meses de estancia para lenguaje y social, y a partir de 12 meses para motor grueso, fino y conocimiento. Conclusiones: El tiempo de permanencia en el PEI a partir de 6 meses incrementa, de forma significativa y progresiva, la probabilidad de tener un desarrollo normal independiente del sexo y edad.


Abstract: Background: Early education program (EEP) was created to support parents with 1 to 3 year olds living in poverty situation in Mexico, and includes education and child daycare for 8 h five days per week. The objective of this study was to evaluate the association between length of stay in EEP and the level of development in children. Methods: Cross sectional, population-based study conducted in two Mexican states. All children aged between 12 to 48 months enrolled in EEP from November 2014 to January 2015 were included. Child Development Evaluation (CDE) test was used to screen early development in every child. Normal early development prevalence odds ratio (OR) was calculated adjusted by gender, impairment and state, using as a reference those children with less than 30 days in the program. Results: The study included 3,387 children from 177 EEP nurseries, from which 53% were male; age by group was divided in 12-24 months (22.3%), 25-36 months (37.6%) and 37-42 months (40.1%). Normal development adjusted OR by age was 1.9 (CI95%: 1.30-2.78) for 6-11 months, 2.36 (CI95%: 1.60-3.50) for 12-17 months, 2.78 (CI95%: 1.65-4.65) for 18-23 months and 3.46 (CI95%: 2.13-5.60) for >24 months. By area of development, a greater probability of having a normal result for language and social areas was observed after 6 months in the program, and for motor (both gross and fine) and knowledge areas after 12 months. Conclusion: The length of the stay in the EEP after 6 months significantly and progressively increases the probability of normal development regardless of gender and age.


Assuntos
Pré-Escolar , Feminino , Humanos , Lactente , Masculino , Escolas Maternais/estatística & dados numéricos , Cuidado da Criança/estatística & dados numéricos , Desenvolvimento Infantil/fisiologia , Desenvolvimento da Linguagem , Pobreza , Fatores de Tempo , Fatores Sexuais , Estudos Transversais , Fatores Etários , México
15.
Bol Med Hosp Infant Mex ; 74(2): 98-106, 2017.
Artigo em Espanhol | MEDLINE | ID: mdl-29382503

RESUMO

BACKGROUND: Early education program (EEP) was created to support parents with 1 to 3 year olds living in poverty situation in Mexico, and includes education and child daycare for 8h five days per week. The objective of this study was to evaluate the association between length of stay in EEP and the level of development in children. METHODS: Cross sectional, population-based study conducted in two Mexican states. All children aged between 12 to 48 months enrolled in EEP from November 2014 to January 2015 were included. Child Development Evaluation (CDE) test was used to screen early development in every child. Normal early development prevalence odds ratio (OR) was calculated adjusted by gender, impairment and state, using as a reference those children with less than 30 days in the program. RESULTS: The study included 3,387 children from 177 EEP nurseries, from which 53% were male; age by group was divided in 12-24 months (22.3%), 25-36 months (37.6%) and 37-42 months (40.1%). Normal development adjusted OR by age was 1.9 (CI95%: 1.30-2.78) for 6-11 months, 2.36 (CI95%: 1.60-3.50) for 12-17 months, 2.78 (CI95%: 1.65-4.65) for 18-23 months and 3.46 (CI95%: 2.13-5.60) for >24 months. By area of development, a greater probability of having a normal result for language and social areas was observed after 6 months in the program, and for motor (both gross and fine) and knowledge areas after 12 months. CONCLUSION: The length of the stay in the EEP after 6 months significantly and progressively increases the probability of normal development regardless of gender and age.


Assuntos
Cuidado da Criança/estatística & dados numéricos , Desenvolvimento Infantil/fisiologia , Desenvolvimento da Linguagem , Escolas Maternais/estatística & dados numéricos , Fatores Etários , Pré-Escolar , Estudos Transversais , Feminino , Humanos , Lactente , Masculino , México , Pobreza , Fatores Sexuais , Fatores de Tempo
16.
Magn Reson Chem ; 55(3): 233-238, 2017 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-27615672

RESUMO

The effect of the stereochemistry of the sulfur atom on 1 H chemical shifts of the diasteromeric pair of cyclic sulfites of 4-[methoxy(4-nitrophenyl)methyl]-5-phenyl-1,3,2-dioxathiolan-2-oxide was investigated. The complete 1 H and 13 C NMR spectral assignment was achieved by the use of one-dimensional and two-dimensional NMR techniques in combination with X-ray data. A correlation of experimental data with theoretical calculations of chemical shift tensors using density functional theory and topological theory of atoms in molecules was made. Copyright © 2016 John Wiley & Sons, Ltd.

17.
Salud pública Méx ; 58(6): 685-693, nov.-dic. 2016. graf
Artigo em Espanhol | LILACS | ID: biblio-846020

RESUMO

Resumen: Objetivo: Describir el marco conceptual, metodología de implementación y análisis de la Encuesta de Satisfacción de Usuarios del Sistema de Protección Social en Salud de México. Material y métodos: Se analizan los elementos metodológicos de los estudios de 2013, 2014 y 2015, incluyendo el instrumento utilizado, el muestreo y el diseño del estudio, el modelo conceptual, las características y los indicadores del análisis. Resultados: La encuesta captura información sobre calidad percibida y satisfacción. El muestreo tiene representación nacional y estatal. Se construyen y describen indicadores simples y compuestos (índice de satisfacción y porcentaje de problemas de calidad reportados). El análisis se completa mediante diagramas de Pareto, correlación entre indicadores y asociación con la satisfacción mediante modelos multivariados. Conclusiones: La medición de satisfacción y calidad percibida es un proceso complejo pero necesario para cumplir con la normativa y para identificar estrategias de mejora. La encuesta descrita presenta diseño y análisis rigurosos enfocados en su utilidad para mejorar.


Abstract: Objective: To describe the conceptual framework and methods for implementation and analysis of the satisfaction survey of the Mexican System for Social Protection in Health. Materials and methods: We analyze the methodological elements of the 2013, 2014 and 2015 surveys, including the instrument, sampling method and study design, conceptual framework, and characteristics and indicators of the analysis. Results: The survey captures information on perceived quality and satisfaction. Sampling has national and State representation. Simple and composite indicators (index of satisfaction and rate of reported quality problems) are built and described. The analysis is completed using Pareto diagrams, correlation between indicators and association with satisfaction by means of multivariate models. Conclusions: The measurement of satisfaction and perceived quality is a complex but necessary process to comply with regulations and to identify strategies for improvement. The described survey presents a design and rigorous analysis focused on its utility for improving.


Assuntos
Humanos , Política Pública , Satisfação do Paciente , Pesquisas sobre Atenção à Saúde/métodos , Programas Nacionais de Saúde/normas , Inquéritos e Questionários , México
18.
Molecules ; 21(11)2016 Nov 17.
Artigo em Inglês | MEDLINE | ID: mdl-27869690

RESUMO

The biogenetic origin of triterpene dimers from the Celastraceae family has been proposed as assisted hetero-Diels-Alder reaction (HDA). In this work, computational calculation of HDA between natural quinonemethides (tingenone and isopristimerol) and hypothetical orthoquinones has been performed at the M06-2X/6-31G(d) level of theory. We have located all the HDA transition states supporting the biogenetic route via HDA cycloadditions. We found that all reactions take place through a concerted inverse electron demand and asynchronous mechanism. The enzymatic assistance for dimer formation was analyzed in terms of the calculated transition state energy barrier.


Assuntos
Vias Biossintéticas , Quinonas/metabolismo , Triterpenos/metabolismo , Reação de Cicloadição , Modelos Biológicos , Modelos Químicos , Plantas/metabolismo , Teoria Quântica
19.
Bol. méd. Hosp. Infant. Méx ; 73(2): 90-104, mar.-abr. 2016. tab, graf
Artigo em Espanhol | LILACS | ID: biblio-839020

RESUMO

Resumen: Introducción: La mayoría de las estrategias o programas que apoyan el desarrollo de la primera infancia en México son esfuerzos independientes que varían en escala, servicios que ofrecen y modo de proporcionarlos. Para la evaluación de la calidad de estos programas, un aspecto de suma importancia es el contenido curricular. El objetivo de este estudio fue realizar un análisis y comparación curricular de las distintas estrategias o programas enfocados en la promoción e intervención del desarrollo infantil temprano que ofrece el Gobierno Federal en los sectores Salud y Educación en México. Método: Se realizó una revisión de la información de los contenidos curriculares de las estrategias o programas. La fase cualitativa consistió en un análisis documental comparativo con un ejercicio hermenéutico donde se identificaron los 75 indicadores propuestos por el Banco Interamericano de Desarrollo. La fase cuantitativa consistió en el análisis descriptivo de los indicadores. Finalmente, se compararon los análisis para establecer el desempeño de cada uno. Resultados: Se identificaron seis estrategias o programas. En el análisis de la presencia de indicadores, la estrategia Oportunidades de Aprendizaje (OA) fue la que presentó un mayor número de indicadores. En el análisis de amplitud, tanto PEI-CONAFE como OA fueron los mejor balanceados. Por último, en el análisis de profundidad de los indicadores, OA y Habilidades para la Vida fueron los mejor balanceados, mientras que PEI-CONAFE resultó el mejor balanceado para el área socio-emocional, CeNSIA para lenguaje y OA para el área cognitiva. Conclusiones: La estrategia OA fue la que garantizó un mayor acercamiento a los contenidos establecidos por el Banco Interamericano de Desarrollo.


Abstract: Background: Most of the strategies or programs that support early child development in Mexico are independent efforts that vary in scale, services offered and means of providing them. For the evaluation of the quality of these programs, an important aspect is the curriculum content. The aim of this study was to analyze and compare the curriculum content of the different strategies or programs focused on the promotion and intervention of early child development, which are offered by the Federal Government in Health and Education sectors in Mexico. Methods: We conducted a review of the curriculum content of the strategies and programs. The qualitative phase consisted of a comparative analysis where 75 indicators proposed by the Inter-American Development Bank were identified. The quantitative phase consisted of a descriptive analysis of the indicators. Finally, the analyses were compared to establish the performance of each one. Results: Six strategies or programs were identified. In the analysis of the presence of indicators, the Oportunidades de Aprendizaje (Learning Opportunities, LO) strategy showed a larger number of indicators. In the amplitude analysis, both PEI-CONAFE and LO were the best balanced. Finally, in-depth analysis of the indicators LO and Skills for life were the best balanced while PEI-CONAFE was the best balanced in the social-emotional area, CeNSIA program for language and LO for cognitive development area. Conclusions: LO strategy showed the closest level of contents established by the Inter-American Development Bank.

20.
Salud Publica Mex ; 58(6): 685-693, 2016.
Artigo em Espanhol | MEDLINE | ID: mdl-28225945

RESUMO

OBJECTIVE:: To describe the conceptual framework and methods for implementation and analysis of the satisfaction survey of the Mexican System for Social Protection in Health. MATERIALS AND METHODS:: We analyze the methodological elements of the 2013, 2014 and 2015 surveys, including the instrument, sampling method and study design, conceptual framework, and characteristics and indicators of the analysis. RESULTS:: The survey captures information on perceived quality and satisfaction. Sampling has national and State representation. Simple and composite indicators (index of satisfaction and rate of reported quality problems) are built and described. The analysis is completed using Pareto diagrams, correlation between indicators and association with satisfaction by means of multivariate models. CONCLUSIONS:: The measurement of satisfaction and perceived quality is a complex but necessary process to comply with regulations and to identify strategies for improvement. The described survey presents a design and rigorous analysis focused on its utility for improving.


Assuntos
Pesquisas sobre Atenção à Saúde/métodos , Programas Nacionais de Saúde/normas , Satisfação do Paciente , Política Pública , Humanos , México , Inquéritos e Questionários
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