Halogen Bonding in Brominated BODIPY Crystals: a Crystallographic and Computational Study.

The study of halogen bonds (XBs) has been a subject of great interest in recent years due to its clear application in catalysis, liquid crystals, and crystal engineering. In this study, we analyzed the intermolecular interactions, in particular halogen bonds in BODIPYs with an increasing number of bromine atoms. The computational study included analyses through three different methods: the first approach of close contacts provided by mercury, then the expanded approach of the electron density partition of the molecules in the crystals provided by the analysis of Hirshfeld surfaces, and finally, the approach of the Quantum Theory of Atoms in Molecules (QT-AIM) to characterize the non-covalent interactions through finding electron density critical points between atoms and between neighboring molecules. The use of different computational methods allowed to gain insight into the interactions directing the crystal packing as the number of bromine atoms increased in the BODIPY moiety. Monocoordinated and bifurcated halogen bonds involving halide/halide were found. The penta-brominated BODIPY showed four-center cyclic nodes where each node is linked via XBs. This kind of motif can be useful in supramolecular chemistry and self-assembly.

Intrauterine position as a predictor of postnatal growth and survival in the rabbit.

In mammals, body mass at birth is an important predictor of early postnatal growth and survival. Within litters, heavier young are more successful in competing for limited resources and show higher rates of growth and survival than their lighter sibs. In the present study, we investigated the contribution of two aspects of the intrauterine environment to within-litter differences in birth mass, growth and survival in the rabbit (Oryctolagus cuniculus): implantation site along the uterine horns and number of adjacent male fetuses. We used unilaterally ovariectomized mothers in order to infer relative sites of implantation from the birth order of pups from the single functional uterine horn. Pups from the extremities of the horn were significantly heavier at birth and weaning than their siblings from more central positions and had a higher probability of survival. The effect on body mass was still apparent 3 weeks after weaning in pups that had occupied positions at the ovarian end of the horn. The number of adjacent male fetuses did not affect individuals' growth or survival, and there were no differences between females and males. There were also no significant interactions between the different variables considered, indicating that the effects of implantation site on individuals' birth mass, growth and survival relative to littermates were independent of number of male neighbors, sex or litter size. Our study clearly demonstrates that in the rabbit, the site of implantation along the uterine horns is a major contributor to individual differences among littermates in early postnatal growth and survival.

Survival of human pathogenic bacteria in different types of natural mineral water.

The aim of this study was to determine the survival of human pathogens (Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa) in five natural mineral waters (NMWs) with different properties and mineralization levels. Five NMWs from four Spanish spas with different dry residue at 110 °C were used: A = 76,935 mg/L; B = 1,827 mg/L; C = 808.4 mg/L; D = 283.8 mg/L; and E = 170.4 mg/L. An initial inoculum of 1 × 10(6) colony forming units (cfu)/mL was used for survival studies. Distilled water, chlorinated tap water and Mueller-Hinton broth were used as controls. Colony counts in all different waters were lower than those achieved with Mueller-Hinton broth over all incubation periods. A direct effect between the bacterial survival and the level of mineralization water was observed. The NMW E with low mineralization level along with the radioactive properties showed the highest antibacterial activity among all NMWs.

Synthesis and evaluation of molecular rotors with large and bulky tert-butyldiphenylsilyloxy-substituted trityl stators.

The search for voluminous stators that may accommodate large rotator units and speed rotational dynamics in the solid state led us to investigate a simple and efficient method for the synthesis of molecular rotors with tert-butyldiphenylsilyl-protected (TBDPS) triphenylmethyl stators. Additionally, solid state characterization of these systems with two-, four-, and six-TBDPS groups provided us with a description of their crystallinity and thermal stability. Among them, molecular rotor 7c with the largest and most symmetric stator resulting from six peripheral silyl groups showed the best tendency to crystallize, and the study of its isotopologue 7c-d(4) by solid state (2)H NMR revealed a 2-fold motion of the 1,4-diethynylphenylene-d(4) rotator in the kHz regime.

Factores de riesgo cardiovascular en niños de 8-11 años de cinco escuelas públicas de Valledupar-Cesar-Colombia / Cardiovascular risk factors in children 8-11 years of 5 public schools of Valledupar- Cesar-Colombia

Objetivo: Evaluar la exposición a los principales Factores de Riesgo Cardiovascular en niños de cinco escuelas públicas de Valledupar según edad y sexo.Método: Estudio descriptivo transversal en 225 niños de cinco escuelas públicas de Valledupar con edades entre los 8 y 11 años. Se les evaluó perfil de lipoproteínas, Presión Arterial, Índice de Masa Corporal, y Actividad Física.Resultados: Los promedios de las fracciones lipoproteicas fueron: Colesterol Total: 148,1 ± 33, Triglicéridos: 90,4 ± 34, cHDL: 45,5 ± 11, cLDL: 84,7 ± 33, colesterol no HDL: 102,6 ± 35, Relación Colesterol Total/cHDL: 3,4 ± 1,0. Los Triglicéridos fueron más altos y el cHDL más bajo que en niños de otros países, pero similares a los reportados en otras ciudades colombianas. Las prevalencias de riesgo para enfermedad cardiovascular por el perfil de lípidos según los puntos de corte de National Cholesterol Education Program, fueron para: cHDL: 26,9%, Triglicéridos: 18,5%, colesterol no HDL: 10,2%, Colesterol total/cHDL: 9,7%, cLDL: 9,7%, Colesterol Total: 5,2%; encontrándose mayor riesgo en las mujeres y en el grupo de menor edad para el caso de cHDL y triglicéridos. La prevalencia de sedentarismo fue de 41,7%. El 6,6% de los niños eran obesos. La presión arterial sistólica aumentada se encontró en el 2,2% de los niños evaluados y la presión arterial diastólica elevada en el 2,6% principalmente en el rango de edad de 8-9 años.Conclusiones: En los niños estudiados la mayor prevalencia de riesgo cardiovascular fue el sedentarismo, los niveles elevados de triglicéridos y concentraciones bajas de cHDL, los cuales se asimilan a los reportados en otras poblaciones infantiles colombianas.

Objective: Assess exposure to major cardiovascular risk factors in children from five schools of Valledupar-Cesar (Colombia) according to age and sex.Method: Cross-sectional descriptive study in 225 children from five schools of Valledupar aged 8 to 11 years. Assessed profile of lipoproteins, bloodpressure, body mass index, and physical activity. Results: Averages of fractions lipoproteicas were: cholesterol Total: 148, 1±33, triglycerides: 90, 4±34,cHDL: 45, 5±11, cLDL: 84, 7±33, not HDL cholesterol: 102, 6±35, relationship cholesterol Total/cHDL: 3, 4±1,0. Triglycerides were higher and the cHDL lower than children in other countries, but similar to the reportedother Colombian cities. The prevalence of risk for cardiovascular disease by the lipid profile according to the National Cholesterol Education Program, cutoffpoints were: cHDL: 26.9%, triglycerides: 18.5%, not HDL cholesterol: 10.2%, cholesterol total/cHDL: 9.7%, cLDL: 9.7%, cholesterol total: 5.2%; findingincreased risk in women and in the younger age group in the case of cHDL and triglycerides. The prevalenceof physical inactivity was 41.7%. The 6.6% of childrenwere obese. Increased systolic blood pressure found in 2.2% of the participants and the diastolic bloodpressure elevated at 2.6 per cent mainly range from age 8-9 years.Conclusions: In the studied children the highest prevalence of cardiovascular risk was sedentary lifestyle, high levels of triglycerides and low concentrations of cHDL, which are assimilated to the reported in other child populations in Colombia.

Anisochronous dynamics in a crystalline array of steroidal molecular rotors: evidence of correlated motion within 1D helical domains.

We describe the solid-state dynamics of a molecular rotator (2) consisting of a p-phenylene rotor flanked by two ethynyl steroidal moieties that act as a stator. Single-crystal X-ray diffraction analysis of polymorph I revealed a packing motif containing 1D columns of nested rotors arranged in helical arrays (space group P3(2)) with the central phenylenes disordered over two sites related by an 85° rotation about their 1,4-axes. Unexpected line shapes in quadrupolar-echo (2)H NMR measurements between 155 and 296 K for the same polymorph with a deuterated phenylene isotopologue (2-d(4)) were simulated by trajectories involving fast (>10(8) s(-1)) 180° rotation (twofold flips) in each of the two rotationally disordered sites and slower exchange (2 × 10(4) to 1.5 × 10(6) s(-1)) between them. A negative activation entropy and a low enthalpic barrier for the slower 85° exchange are interpreted in terms of highly correlated processes within the 1D helical domains.

Reflexiones sobre bioética e ingeniería biomédica: intrínseca complementariedad / Reflections about bioethics and biomedical engineering: intrinsic complementarity / Reflexões em biéética e engenharia biomédica: essencial complementaridade

El presente artículo de reflexión intenta un acercamiento al estudio de la relación entre la Bioética y la Ingeniería Biomédica, por considerar que dichas ramas del saber no pueden seguir aisladas, debido a la multidisciplinariedad de los conceptos que ellas abordan. Es importante entender que la labor del ingeniero biomédico no puede de ninguna manera desconocer los principios fundamentales de la bioética, debido a que su trabajo tiene como finalidad el diagnóstico y tratamiento de personas, lo que implica que debe tener conocimiento de los principios básicos éticos para hacer un trabajo comprometido y de calidad, recordando que su actuación en algunos casos está directamente relacionada con la preservación de la vida del paciente.

The aim of the present article is to establish an approach to the study of the relation between Bioethics and Biomedical Engineering. These branches of knowledge cannot be considered in isolation one from the other; on the contrary, due to the multidisciplinary character of the concepts under consideration in these fields it turns out necessary to treat them in a complementary manner. It is important to understand that professional activities of a biomedical engineer cannot ignore the fundamental principles of bioethics since the goal of his/her job is the diagnostics and treatment of living persons, which implies that he/she must have a knowledge of the basic ethical principles in order to have a high-quality and responsible performance always having in mind that his/her actions in some cases are directly related to the preservation of a patient's life.

Neste artigo se reflete sobre o estudo da relação entre bioética e engenharia biomédica, considerando que estes ramos do conhecimento não podem ficar isolados devido à natureza multidisciplinar dos conceitos que estudam. É importante compreender que o engenheiro biomédico não pode ignorar os princípios fundamentais da bioética, pois seu trabalho visa o diagnóstico e o tratamento das pessoas. Isso significa que deve conhecer os princípios éticos a fim de fazer um trabalho de compromisso e qualidade, destacando que seu desempenho em alguns casos está diretamente relacionado com a preservação da vida do paciente.

Synthesis and solid state characterization of molecular rotors with steroidal stators: ethisterone and norethisterone.

In this article we describe the synthesis and dynamic behavior of two new molecular rotors with 1,4-diethynylphenylene rotators axially linked to two conformationally rigid steroidal norethisterone acetate or ethisterone frames. The resulting 1,4-bis(19-nor-17alpha-ethynyltestosterone-17beta-acetate)benzene (1) and 1,4-bis(17alpha-ethynyltestosterone)benzene (2) were fully characterized in solution and in the solid state, and the rotational dynamics of the central phenylene were explored with the help of (13)C NMR with cross polarization and magic angle spinning (CPMAS), and with quadrupolar echo variable temperature (VT) (2)H NMR in the case of 1. Splitting of signals from the aromatic ring on the (13)C CPMAS NMR and a broad quadrupolar spin echo (2)H spectrum of polycrystalline samples indicated that the rotation of the central aromatic ring in these compounds was limited at ambient temperature in the solid state. Variable temperature (2)H NMR experiments at 350 K in the case of 1-d(4) suggested a 2-fold rotational exchange with upper frequency limit of ca. 10 kHz. Single crystal X-ray analysis of this compound revealed that a crowded environment around the prospective phenylene rotator is responsible of the restricted rotation in the solid state.

PERK-dependent regulation of lipogenesis during mouse mammary gland development and adipocyte differentiation.

The role of the endoplasmic reticulum stress-regulated kinase, PERK, in mammary gland function was assessed through generation of a targeted deletion in mammary epithelium. Characterization revealed that PERK is required for functional maturation of milk-secreting mammary epithelial cells. PERK-dependent signaling contributes to lipogenic differentiation in mammary epithelium, and perk deletion inhibits the sustained expression of lipogenic enzymes FAS, ACL, and SCD1. As a result, mammary tissue has reduced lipid content and the milk produced has altered lipid composition, resulting in attenuated pup growth. Consistent with PERK-dependent regulation of the lipogenic pathway, loss of PERK inhibits expression of FAS, ACL, and SCD1 in immortalized murine embryonic fibroblasts when cultured under conditions favoring adipocyte differentiation. These findings implicate PERK as a physiologically relevant regulator of the lipogenic pathway.

Enhanced protection against malaria by a chimeric merozoite surface protein vaccine.

The 42-kDa processed fragment of Plasmodium falciparum merozoite surface protein 1 (MSP-1(42)) is a prime candidate for a blood-stage malaria vaccine. Merozoite surface protein 8 contains two C-terminal epidermal growth factor (EGF)-like domains that may function similarly to those of MSP-1(42). Immunization with either MSP-1 or MSP-8 induces protection that is mediated primarily by antibodies against conformation-dependent epitopes. In a series of comparative immunogenicity and efficacy studies using the Plasmodium yoelii rodent model, we tested the ability of recombinant P. yoelii MSP-8 (rPyMSP-8) to complement rPyMSP-1-based vaccines. Unlike MSP-1, PyMSP-8-dependent protection required immunization with the full-length protein and was not induced with recombinant antigens that contained only the C-terminal EGF-like domains. Unlike PyMSP-8, the immunogenicity of the PyMSP-1 EGF-like domains was low when present as part of the rPyMSP-1(42) antigen. Immunization with a mixture of rPyMSP-1(42) and rPyMSP-8 further inhibited the antibody response to protective epitopes of rPyMSP-1(42) and did not improve vaccine efficacy. To improve PyMSP-1 immunogenicity, we produced a chimeric antigen containing the EGF-like domains of PyMSP-1 fused to the N terminus of PyMSP-8. Immunization with the chimeric rPyMSP-1/8 antigen induced high and comparable antibody responses against the EGF-like domains of both PyMSP-1 and PyMSP-8. This enhanced MSP-1-specific antibody response and the concurrent targeting of MSP-1 and MSP-8 resulted in improved, nearly complete protection against lethal P. yoelii 17XL malaria. Unexpectedly, immunization with rPyMSP-1/8 failed to protect against challenge infection with reticulocyte-restricted P. yoelii 17X parasites. Overall, these data establish an effective strategy to improve the efficacy of P. falciparum MSP-based vaccines.

Immunization against Plasmodium chabaudi malaria using combined formulations of apical membrane antigen-1 and merozoite surface protein-1.

The control of Plasmodium falciparum malaria by vaccination will require immunization with multiple parasite antigens effectively formulated in combination. In this regard, proteins expressed on the surface of blood-stage merozoites are attractive as vaccine targets given their functional importance in the invasion of erythrocytes and accessibility to serum antibodies. We have utilized a Plasmodium chabaudi vaccine model to begin to evaluate the efficacy of immunization with combined formulations of apical membrane antigen-1 (AMA-1) and merozoite surface protein-1 (MSP-1). Using a pET/T7 RNA polymerase bacterial expression system, we have expressed, purified and refolded recombinant antigens representing the 54 kDa ectodomain of Pc AMA-1 and the 42 kDa C-terminus of Pc MSP-1. Immunization with recombinant Pc AMA-1+Pc MSP-1(42) induced a high level of protection against P. chabaudi malaria with protective efficacy varying with antigen dose, choice of adjuvant, and immunization protocol. Based on the reduction of P. chabaudi parasitemia, Alum proved effective for use with the combination of Pc AMA-1 and Pc MSP-1(42). The use of Quil A was similarly effective with single or combined antigen immunizations, particularly with low antigen dose. In general, serological analysis of prechallenge sera indicated a dominant IgG1 response. For a given formulation, immunization with the combination of Pc AMA-1 and Pc MSP-1(42) elicited IgG responses comparable to those observed following immunization with each antigen alone. However, prechallenge antibody titers alone were not predictive of protective efficacy. While Pc AMA-1 and Pc MSP-1(42) can be effectively formulated in combination, further study is needed to define measurable parameters of protective T cell and B cell responses induced by Pc AMA-1+Pc MSP-1(42) that are predictive of vaccine efficacy.

Transmision experimental del virus de la encefalitis equina venezolana, subgrupo ID, por Psorophora confinnis a ratones / Experimental transmission of the Venezuelan equine encephalitis virus, ID subgroup, by Psorophora confinnis to mouses

Se realizo un experimento con el objeto de investigar la capacidad del mosquito Psorophora Confinnis para transmitir por picadura a ratones blanco-suizos de 21 dias una cepa de virus de encefalitis equina venezolana, subgrupo ID. Sinembargo, cuando los mosquitos se alimentaron sobre hamster con altas viremias (7.5, 6.3 dex en 01 ml de suero), los porcentajes de infeccion de los mosquitos y los de transmision fueron altos. Sin embargo, cuando los mosquitos se alimentaron sobre Proechimys Hendei con viremias bajas (1,4 y 2,6 dex en 0.1 ml. de suero) el porcentaje de infeccion de los mosquitos fue muy bajo y no hubo transmision. Cuando la viremia en el Proechimys fue de 4.4 dex en 0.1 ml. de suero, el porcentaje de infeccion de los mosquitos aumento y hubo transmision baja (9%). Los resultados sugieren que Psorophora Confinnis es un mosquito que tiene un alto umbral de infeccion para EEV subgrupo ID

Demostracion del virus de la encefalitis equina venezolana tipo enzootico en la hemolinfa de mosquitos Psorophora confinnis infectados por via oral / Demonstration of Venezuelan equine encephalitis virus: enzootic type in the haemolymph of the Psorophora confinnis mosquitoes infected by mouth

Se llevo a cabo un experimento con el proposito de determinar si en mosquitos Psorophora confinnis (Arribalzaga, 1.891) infectados por via oral con una cepa exootica de Encefalitis Equina Venezolana era posible detectar el virus en la hemolinfa de estos mosquitos. El virus se pudo demostrar en la hemolinfa a las 24 horas post-infeccion en el 66.6% de los mosquitos, en el 75% de los mosquitos a los 2 y 9 dias post-infeccion y en el 100% de los mosquitos a los 6, 7, 8, 10, 11, 12 y 13 dia post-infeccion. Todos los mosquitos en los cuales se demostro virus en la hemolinfa fueron probados para intento de aislamiento de virus en el mosquito total y hubo una perfecta correlacion entre las dos. Los mosquitos que fueron negativos para virus en la hemolinfa tambien lo fueron cuando se probaron como mosquito total. En algunas hembras tomadas al azar se hizo una comparacion de los titulos del virus en la hemolinfa y en el mosquito total y no se encontro una diferencia significativa