Structure investigation on a novel 2-halo-2,3-unsaturated-N-galactoside, NMR and X-ray diffraction of a monoclinic multidomain crystal.

Single crystal X-ray and NMR investigations on multidomain structured N-(4,6-di-O-acetyl-2,3-dideoxy-α-D-threo-hex-2-en-2-iodo-pyranosyl)-methylsulfonamide are reported. This is the first crystallographic diffraction data report related to a 2-halo-2,3-unsaturated galactoside derivative. A complete structural study, including conformations and crystal packing, was performed by analyzing the spectroscopic data in solid state (XRD) and in solution (NMR).

Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb5[Fe(C2O4)3]2.

We show here that the phenomenon of spontaneous resolution of enanti-omers occurs during the crystallization of the sodium and rubidium double salts of the transition metal complex tris-(oxalato)ferrate(III), namely sodium penta-rubidium bis-[tris-(oxalato)ferrate(III)], NaRb5[Fe(C2O4)3]2. One enanti-omer of the salt crystallizes in the cubic space group P4332 with Z = 4 and a Flack absolute structure parameter x = -0.01 (1) and its chiral counterpart in the space group P4132 with x = -0.00 (1). All metal ions are at crystallographic special positions: the iron(III) ion is on a threefold axis, coordinated by three oxalate dianions in a propeller-like conformation. One of the two independent rubidium ions is on a twofold axis in an eightfold coordination with neighbouring oxalate oxygen atoms, and the other one on a threefold axis in a sixfold RbO6 coordination. The sodium ion is at a site of D3 point group symmetry in a trigonal-anti-prismatic NaO6 coordination.

A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis.

The Schiff base of the title has been synthesized and its crystal structure determined by single-crystal X-ray diffraction. The compound was characterized by IR, Raman, 1H NMR, 13C NMR and electronic absorption spectra. DFT calculations provide the quantum chemical basis for the observed molecular conformation. A study of intermolecular interactions of the title compound is compared with seven other closely related structures and reveals that molecules in most of the compounds are linked by a cooperative effect of strong and weak hydrogen bonds, CH…π, and π…π stacking interactions, and also lp…π contacts. Lattice energy calculations indicate that the dispersion component is the major contribution, with the coulombic term playing a significant role in the total energy. Interaction energies for molecular pairs involving NH···N bonds indicate a dominant contribution to packing stabilization coming from coulomb component. Hirshfeld surfaces and 2D-fingerprint plots allowed us to visualize different intermolecular contacts and its relative contributions to total surface in each compound. The analysis of electrostatic potential (ESP) maps correlates well with the computed energies providing evidences on the dominant electrostatic nature of NH···N and NH···O interactions.

Phosphorylation of serine 367 of FOXC2 by p38 regulates ZEB1 and breast cancer metastasis, without impacting primary tumor growth.

Metastatic competence is contingent upon the aberrant activation of a latent embryonic program, known as the epithelial-mesenchymal transition (EMT), which bestows stem cell properties as well as migratory and invasive capabilities upon differentiated tumor cells. We recently identified the transcription factor FOXC2 as a downstream effector of multiple EMT programs, independent of the EMT-inducing stimulus, and as a key player linking EMT, stem cell traits and metastatic competence in breast cancer. As such, FOXC2 could serve as a potential therapeutic target to attenuate metastasis. However, as FOXC2 is a transcription factor, it is difficult to target by conventional means such as small-molecule inhibitors. Herein, we identify the serine/threonine-specific kinase p38 as a druggable upstream regulator of FOXC2 stability and function that elicits phosphorylation of FOXC2 at serine 367 (S367). Using an orthotopic syngeneic mouse tumor model, we make the striking observation that inhibition of p38-FOXC2 signaling selectively attenuates metastasis without impacting primary tumor growth. In this model, circulating tumor cell numbers are significantly reduced in mice treated with the p38 inhibitor SB203580, relative to vehicle-treated counterparts. Accordingly, genetic or pharmacological inhibition of p38 decreases FOXC2 protein levels, reverts the EMT phenotype and compromises stem cell attributes in vitro. We also identify the EMT-regulator ZEB1-known to directly repress E-cadherin/CDH1-as a downstream target of FOXC2, critically dependent on its activation by p38. Consistent with the notion that activation of the p38-FOXC2 signaling axis represents a critical juncture in the acquisition of metastatic competence, the phosphomimetic FOXC2(S367E) mutant is refractory to p38 inhibition both in vitro and in vivo, whereas the non-phosphorylatable FOXC2(S367A) mutant fails to elicit EMT and upregulate ZEB1. Collectively, our data demonstrate that FOXC2 regulates EMT, stem cell traits, ZEB1 expression and metastasis in a p38-dependent manner, and attest to the potential utility of p38 inhibitors as antimetastatic agents.

Estudio de aceptabilidad y saciedad de barritas de cereal altas en fibra dietética en escolares de una escuela rural de Chile / Acceptability and saciety study of cereal bars high in dietetic fiber in schoolage children of a Chilean rural school

Cereal bars for infant collation in two flavors were developed: apple and red fruits. The bars were made with oatmeal and dried fruit, low in saturated fat, total sugars and sodium. The effect of the addition of 2.5% of β-glucan in the bars on the sensory acceptability, satiety and digestive tolerance in primary school children were evaluated. The results showed high sensory acceptability to all bars (both flavors, with and without β-glucan), being higher in children from 1st to 4th grade and in men (p <0.05). Consumption of the bars produced satiety in children without stumbling significant differences due to thepresence of β-glucan. Regarding the digestive tolerance, no cases of discomfort were presented, indicating that all cereal bars were well tolerated. The addition of β-glucan in the bars does not affect the sensory acceptability of these and does not affect satiety compared to bars without β-glucan.

RESUMEN Se desarrollaron barritas de cereal destinadas a la colación infantil en dos sabores: manzana y frutos rojos. Las barritas se elaboraron con avena y frutos deshidratados, con bajo contenido de grasas saturadas, azúcares totales y sodio. Se evaluó el efecto de la incorporación de 2.5% de β-glucano en las barritas sobre la aceptabilidad sensorial, saciedad y tolerancia digestiva en escolares de educación básica. Los resultados obtenidos demostraron alta aceptabilidad sensorial para todas las barritas (ambos sabores, con y sin β-glucano), siendo mayor en niños de 1° a 4° básico y en hombres (p<0.05). El consumo de las barritas produjo saciedad en los niños, sin encontrase diferencias significativas por efecto de la presencia de β-glucano. Respecto a la tolerancia digestiva, no se presentaron casos de malestar, lo que indica que todas las barritas de cereal fueron bien toleradas. La incorporación de β-glucano en las barritas no afecta la aceptabilidad sensorial de éstas y tampoco afecta la saciedad respecto a barritas sin β-glucano.

Pie diabético / Diabetic foot

The prevalence of diabetes has increased considerably, constituting a global epidemic today. Many of these patients will develop chronic complications of diabetes, including diabetic foot, which aggravates the patient’s clinical condition, decreases the quality of life and has a great socioeconomic impact. The most important action to reduce the morbidity and mortality associated with this pathology is the prevention of this complication, performing a propermetabolic management and serial control of the patient, educating about self-care of the feet. Once diabetic foot ulcer is present, the cornerstones of treatment are debridement of the wound, management of any infection, revascularization procedures when indicated, and discharge of the ulcer, all of the above in order to avoid amputation. This article intends tomake a review about the epidemiology, pathophysiology, classification, diagnosis, prevention and management of diabetic foot oriented to the primary care doctor.

Utilidad de los marcadores de remodelado óseo teniendo en cuenta el valor de referencia para el cambio / Clinical Utility of Bone Remodeling Markers Taking Into Account the Reference Value Change

La Modelación y el Remodelado de hueso son llevados a cabo a través del proceso de Recambio Óseo en sitios específicos llamados Unidades de Remodelación Ósea (URO). Este proceso puede evaluarse a través de marcadores bioquímicos de Formación y de Resorción que reflejan cambios globales del metabolismo esquelético. Estos marcadores de remodelado óseo son utilizados para investigación de enfermedades óseo-metabólicas, porque proveen información dinámica del metabolismo del hueso y pueden ser cuantificados en suero o en orina. La variación de estos marcadores se deben principalmente a variables preanalíticas, analíticas y biológicas y debe interpretarse teniendo en cuenta el Valor de Referencia para el Cambio significativo (VRC), que resulta de un cálculo en el que intervienen la variabilidad biológica (VB) del analito y el error aleatorio del método utilizado en el laboratorio.

The Modeling and Remodeling processes are conducted through the process of replacement bone at specific sites called Units Bone Remodeling (URO).These can be evaluated by biochemical markers of formation and resorption that reflect changes in skeletal metabolism. These markers of bone turnover are used for research óseo-metabolic diseases because they provide dynamic information of bone metabolism and can be quantified in serum or urine. The variation of these markers is mainly due to preanalytical, analytical and biological variables and should be interpreted taking into account the Reference Value Change (VRC), which results from a calculation in which the biological variability (VB) of the analyte and the random error of the method used in the laboratory are involved.

A detailed experimental and theoretical study of two novel substituted trifluoromethylchromones. The influence of the bulky bromine atom on the crystal packing.

The new 3-methyl-2-trifluoromethylchromone (1) and 3-bromomethyl-2-trifluoromethylchromone (2) compounds were synthesized and characterized by vibrational (IR, Raman), UV-Vis and NMR ((1)H, (13)C and (19)F) spectroscopy and MS spectrometry. The crystal structures of 1 and 2 were determined by X-ray diffraction methods. Both compounds crystallize in the monoclinic P21/c space group with Z=4 molecules per unit cell. The structures were solved from 1423 (1) and 1856 (2) reflections with I>2σ (I) and refined by full-matrix least-squares to agreement R1-values of 0.0403 (1) and 0.0554 (2). Because of π-bonding delocalization, the organic molecular skeletons are planar and the molecular bonding structures can be described by formally single, double and resonant bonds. In 2, the CF3 group revealed a strong rotational disorder around the CCF3 bond, which could be explained in terms of four split positions with about uniform angular distribution. The vibrational, electronic and NMR, spectra were discussed and assigned with the assistance of DFT calculations.

Ultrasonido abdominal en pacientes con infección por virus de inmunodeficiencia humana / Abdominal ultrasound in patients infected with human immunodeficiency virus

Introducción: La infección por el virus de inmunodeficiencia humana constituye un grave problema sanitario. En el 2011, el Ministerio del Poder Popular para la Salud señaló una prevalencia del 0,91%, calculando 111.324 casos en mayores de 15 años. Los reportes ecográficos en pacientes con VIH son escasos. Sin embargo, la ecografía es un método seguro, económico y accesible que permite el estudio de un gran número de condiciones. Pacientes y Métodos: Estudio prospectivo, descriptivo y de corte transversal, que incluye pacientes portadores de infección de VIH, que acudieron al servicio de Gastroenterología del Hospital General del Oeste, entre mayo de 2012 a mayo de 2013. A los cuales se les realizó eco abdominal. Resultados: 80 pacientes. 95% presentó alteraciones ecográficas, 52% cursaba con síntomas gastrointestinales, de ellos, el 100% presentaba alteraciones ecográficas. 42,5% pertenecían a la Categoría C de VIH, de los cuales el 100% tuvo alteraciones ecográficas. Se identificaron alteraciones hepáticas en el 85% de los casos, vesiculares en el 65%, retroperitoneales 51,25 %, renales 37,5%, esplénicas 25,25% y pancreáticas 3,75%. Conclusiones: La ecografía abdominal constituye una herramienta útil y accesible para el médico gastroenterólogo en la detección y/o diagnóstico de alteraciones intra-abdominales en pacientes VIH.

Introduction: Human Immunodeficiency Virus Infection (HIV) is a serious health problem.In 2011, the Ministry of People's Power for Health estimated a prevalence of 0.91% with 111,324 cases over 15 year’s population. Ultrasound reports in patients with HIV are scarce. However, ultrasound is safe, non-invasive, affordable and accessible to study a large number of conditions. Patients and methods: A Prospective, descriptive and cross-sectional study was performed. HIV infected patients who underwent the Gastroenterology Service ofWestern General Hospital, from May 2012 to May 2013, to an abdominal echo were included. Results: 80 patients. 95% had abnormal ultrasound, 52% had gastrointestinal symptoms and of these, 100% had ultrasound abnormalities. 42.5% were C category, of which 100% had ultrasound abnormalities. We identified lesions in the liver (85%), gallbladder (65%), retroperitoneum (51,25%), Kidneys (37,5%), spleen (26,25%) and pancreas (3,75%) of the patients. Conclusions: Abdominal ultrasound is a useful and accessible diagnostic tool for the gastroenterologist to detect abdominal abnormalities in HIV patients.

Theoretical and experimental study of a novel psolaren derivate: (E)-9-(3,4-dimethylpent-2-enyloxy)-7H-furo[3,2-g]chromen-7-one.

A new psolaren derivate, (E)-9-(3,4-dimethylpent-2-enyloxy)-7H-furo[3,2-g]chromen-7-one, has been isolated and characterized by experimental and theoretical methodologies. The solid state molecular structure has been determined by X-ray diffraction methods. The substance crystallizes in the monoclinic P21/c space group with a=4.2389(5), b=26.090(3), c=12.482(1)Å, ß=96.990(9)°, and Z=4 molecules per unit cell. The crystal structure shows the molecule fused phenyl and hetero-cycle rings to be coplanar with each other. Ab initio(MP2) and DFT methods have been used to predict the molecular structure in the isolated molecule approximation and the results compared with the experimental data. The MP2/6-311G(d,p) calculations are in good agreement with the X-ray results. The calculated HOMO-LUMO energy gap shows that the intra-molecular charge transfer could easily occur, a prediction closely related to the observed bioactivity of this new compound. In addition, the infrared absorption and Raman dispersion spectra were recorded and an assignment of the observed spectral features to molecular vibrations was made. The vibrational study was assisted by quantum chemistry calculations at the MP2 and DFT level, which provided theoretical mode frequencies. The study was completed by natural bond orbital (NBO) analysis.

Vibrational and structural behavior of (L)-cysteine ethyl ester hydrochloride in the solid state and in aqueous solution.

The aim of this work is to evaluate the vibrational and structural properties of l-cysteine ethyl ester hydrochloride (CE), and its electronic behavior mainly in relation to the action of the thiol and amine groups at different degrees of solvation. The crystal structure of CE was determined at room temperature by X-ray diffraction methods. Infrared and Raman spectra were collected to compare the behavior of different functional groups in the molecule, both in the solid phase and in aqueous solution. Its UV and circular dichroism spectra were also measured in aqueous solution. The influence of an aqueous environment on the CE spectra was simulated by means of implicit (polarizable continuum model) and explicit (molecular dynamics, solute-solvent clusters) methods. Calculations in explicit and continuous solvent are of interest to explain the behavior of bioavailable sites in this medium. The study was completed by natural bond orbital analysis to determine the presence of hyperconjugative interactions.

Vibrational, electronic, and structural properties of 6-nitro- and 6-amino-2-trifluoromethylchromone: an experimental and theoretical study.

Two 2-trifluoromethylchromones, 6-nitro-2-trifluoromethylchromone (1) and 6-amino-2-trifluoromethylchromone (2) were synthesized and characterized by NMR ((1)H, (13)C, and (19)F), UV-vis, vibrational (IR and Raman) spectroscopy, MS spectrometry, and compound 1 also by single structural X-ray diffraction methods. This substance crystallizes in the monoclinic P2(1)/c space group with Z = 4 molecules per unit cell. In the solid, the fused rings and the amino group of 1 are coplanar and the trifluoromethyl group adopts a nearly staggered conformation. The NMR, vibrational, and electronic spectra were discussed and assigned with the assistance of DFT calculations.

Spectroscopic, structural, and conformational properties of (Z)-4,4,4-trifluoro-3-(2-hydroxyethylamino)-1-(2-hydroxyphenyl)-2-buten-1-one, C12H12F3NO3: a trifluoromethyl-substituted ß-aminoenone.

The (Z)-4,4,4-trifluoro-3-(2-hydroxyethylamino)-1-(2-hydroxyphenyl)-2-buten-1-one (C(12)H(12)F(3)NO(3)) compound was thoroughly studied by IR, Raman, UV-visible, and (13)C and (19)F NMR spectroscopies. The solid-state molecular structure was determined by X-ray diffraction methods. It crystallizes in the P2(1)/c space group with a = 12.1420(4) Å, b = 7.8210(3) Å, c = 13.8970(5) Å, ß = 116.162(2)°, and Z = 4 molecules per unit cell. The molecule shows a nearly planar molecular skeleton, favored by intramolecular OH···O and NH···O bonds, which are arranged in the lattice as an OH···O bonded polymer coiled around crystallographic 2-fold screw-axes. The three postulated tautomers were evaluated using quantum chemical calculations. The lowest energy tautomer (I) calculated with density functional theory methods agrees with the observed crystal structure. The structural and conformational properties are discussed considering the effect of the intra- and intermolecular hydrogen bond interactions.

Apple and peach consumption habits across European countries.

The aim of this study was to gain information concerning apple and peach consumption frequency within different European countries in relation to age and gender. The survey was a part of a complex experiment with the aim of evaluating consumers' preferences towards new varieties, and the data is based on the self-reported declarations of respondents, male and female, between 15 and 70 years old. 4271 consumers from 7 European countries were invited to supply information about their apple consumption habits, whereas 499 respondents from 5 countries answered questions relating to frequency of peach and nectarine consumption. In both, the apple and the peach surveys, data analysis of declared intake showed significant differences between nationalities. The highest apple consumption was in Poland, where over 55% declared a consumption of more than 5 apples per week. In comparison, Italian consumers most often indicated eating 3-5 apples per week (39.3%). The lowest apple consumption was in the Netherlands and Spain. In the case of peaches, the highest consumption was indicated in France where 48% of respondents declared a peach consumption of 3-5 per week with 40% eating more than 5 fruits per week. The lowest peach intake was declared in Germany. Irrespective of country women were shown to eat more apples that men. Furthermore, the group of older people (61-70 years) consume apples more often than the adult group (36-60), while within the youngest group of consumers (16-35) eating apples was not at all popular. As with apples females declared a higher peach consumption, and again significantly lower fruit consumption by the youngest group (16-35) was indicated. Although the availability of fruit at the market remains a prime factor in determining apple and peach consumption, our survey confirmed the trends of declining this popular fruit intake by the younger generation, as well as the persistent tendency of lower frequency of fruit consumption among men than women.

Viabilidad y factibilidad del proceso de descentralización de la salud en el canton Ibarra

En el Ecuador, la descentralización se ha convertido como uno de los retos de una enorme trascendencia para reformar el Estado y la sociedad. El Estado ecuatoriano de administración centralista es considerado caduco y atrasado, que no permite el avance de la sociedad. Por tanto, los cambios se han tornado necesarios y urgentes. Al momento que hablamos de descentralización obligadamente tenemos que referirnos a la centralización del Estado, esta centralidad en la toma de decisiones, ha afectado negativamente la calidad de los servicios públicos, que en salud significa limitada capacidad para responder a las necesidades de atención a los problemas de salud de la población. El gobierno central y su administración centralista no puede brindar soluciones tan creativas como si lo pudieran lograr los Consejos Provinciales y Municipios, estos gobiernos intermedios y locales al estar mas cerca a los problemas, podrían orientar de mejor forma los recursos a las necesidades mas importantes de la comunidad. Bajo ciertas condiciones mínimas la descentralización contribuiría al desarrollo de servicios públicos más eficientes y eficaces, con esta premisa, la Constitución política y varias leyes ecuatorianas, disponen la transferencia progresiva de funciones, atribuciones, competencias y recursos desde el gobierno central a los gobiernos seccionales, y determina que la descentralización es obligatoria para el gobierno central y optativa para los gobiernos seccionales. El marco jurídico vigente, abre la posibilidad para que la descentralización de salud, sea un instrumento que fortalezca la integración de lo local, ante el propósito de contribuir a garantizar mejores servicios públicos y por ende mejore la calidad y condiciones de vida y salud para la población. Considerando lo señalado, el Gobierno Seccional del Cantón Ibarra y en el marco de la descentralización del Estado, con autorización del Consejo Municipal y con la asesoría Cantonal de Salud, el 8...

Milk fat content measurement by a simple UV spectrophotometric method: an alternative screening method.

We developed a simple microtechnique to measure lipids in milk by UV spectrophotometry. This technique is based upon the property of fatty acids to absorb UV light proportional to their concentration. Samples of powdered or fluid milk (30 or 60 muL) were added to 3 mL of analytic grade ethanol and stored at -20 degrees C for at least 1 h. This procedure precipitates proteins and hydrophobic peptides that interfere with UV measurement. Sample absorbances are then measured at 208 nm in an UV-Vis spectrophotometer. This technique correlated very well against Milko-Scan, a device that measures milk fat by IR spectroscopy, with an r(2) >0.982. Accuracy and precision, evaluated by recovery and replicate assays, are also very acceptable. This method is suitable as a fast, cost-effective alternative screening method to estimate milk fat content in small samples without prior lipid extraction.

[Isolation and identification of Listeria monocytogenes and Listeria spp. in dry sausages obtained in markets in the city of La Plata, Argentina]. / Aislamiento e identificación de Listeria monocytogenes y Listeria spp. en embutidos secos obtenidos en mercados de la ciudad de La Plata, Argentina.

A total of 60 samples of dry sausages were analyzed (50 of "salami" and 10 of "chorizo" "candelario" type) obtained at random in markets authorized for their commercialization, for the purpose of evidencing the presence of bacteria of the genus Listeria (Listeria monocytogenes and Listeria spp.). The results obtained in salami were the following: 10 (20%) isolates of Listeria spp., were characterized: 1 (2%) strain as L. monocytogenes type 1, 7 (14%) strains as L. innocua, 2 (4%) strains as L. welshimeri. In chorizo candelario type 6 (60%) isolates of Listeria spp., were characterized: 2 (33%) strains as L. monocytogenes type 1 and 4 (66%) strains as L. innocua. The total percentages of isolations were: 26.6% of Listeria spp., 5% of L. monocytogenes type 1, 18.3% of L. innocua and 3.3% of L. welshimeri. In conclusion, we consider that methodologies of control must be developed and implemented in order to guarantee the inocuity of these products.

Aislamiento e identificación de Listeria monocytogenes y Listeria spp. en embutidos secos obtenidos en mercados de la ciudad de La Plata, Argentina. / [Isolation and identification of Listeria monocytogenes and Listeria spp. in dry sausages obtained in markets in the city of La Plata, Argentina]

A total of 60 samples of dry sausages were analyzed (50 of [quot ]salami[quot ] and 10 of [quot ]chorizo[quot ] [quot ]candelario[quot ] type) obtained at random in markets authorized for their commercialization, for the purpose of evidencing the presence of bacteria of the genus Listeria (Listeria monocytogenes and Listeria spp.). The results obtained in salami were the following: 10 (20

) isolates of Listeria spp., were characterized: 1 (2

) strain as L. monocytogenes type 1, 7 (14

) strains as L. innocua, 2 (4

) strains as L. welshimeri. In chorizo candelario type 6 (60

) isolates of Listeria spp., were characterized: 2 (33

) strains as L. monocytogenes type 1 and 4 (66

) strains as L. innocua. The total percentages of isolations were: 26.6

of Listeria spp., 5

of L. monocytogenes type 1, 18.3

of L. innocua and 3.3

of L. welshimeri. In conclusion, we consider that methodologies of control must be developed and implemented in order to guarantee the inocuity of these products.