QSRP Prediction of Retention Times of Chlorogenic Acids in Coffee by Bioplastic Evolution

Caffeoyl‐, feruloyl‐ and dicaffeoylquinic (chlorogenic) acids in infusions from green and medium roasted coffee beans were identified and quantified by reverse phase liquid chromatography. The chromatographic retention times of chlorogenic acids in coffee are modeled by structure‐property relationships. Bioplastic evolution is a view in evolution that conjugates the result of acquired features, and relationships that come out between the principles of evolutionary indeterminacy, morphological determination, and natural selection. Here, it is used to invent the coordination index, which is utilized to typify chlorogenic acids chromatographic retention times. The factors utilized to compute the co‐ordination index are the standard molar formation enthalpy, molecular bare, and hydrophobic solvent‐accessible surface areas, as well as fractal dimensions. The morphological and coordination indices provide strong correlations. Effect of different types of features is analyzed: thermodynamic, geometric, fractal, etc. Properties are molar formation enthalpy, bare molecular surface area, etc., in linear correlation models. Formation enthalpy, etc. distinguish chlorogenic acids molecular structures

QSPR Prediction of Chromatographic Retention Times of Tea Compounds by Bioplastic Evolution

Structure-property relationships model the ultrahigh-performance liquid chromatographic retention times of tea compounds. Bioplastic evolution presents a viewpoint in evolutionary science. It conjugates the result of acquired characters and associations rising between three rules: evolutionary indeterminacy, morphological determination, and natural selection. It is used to propose the co-ordination index, which is utilized to describe the retentions of tea constituents. In molecules, three properties allow computing the co-ordination descriptor: the molar formation enthalpy, molecular weight, and surface area. The result of dissimilar kinds of characteristics is examined: thermodynamic, steric, geometric, lipophilic, etc. The features are molar formation enthalpy, molecular weight, hydrophobic solvent-accessible surface area, decimal logarithm of the 1-octanol/water partition coefficient, etc. in linear and quadratic associations. The formation enthalpy, molecular weight, hydrophobic surface, partition, etc. differentiate the molecular structures of tea components. Feeble quadratic associations result between partition, hydrophobic surface and retention. The morphological and co-ordination descriptors complete the associations

Bisphenol, Diethylstilbestrol, Polycarbonate and the Thermomechanical Properties of Epoxy–Silica Nanostructured Composites

The report has a double character: it deals with the synthesis and preparation of a series of polymers based on bisphenol-A (BPA) monomer; a series of physical and thermomechanical properties are examined for one type (diglycidyl ether of BPA, DGEBA with nanosilica) of the prepared materials. The reactions involved in diepoxy curing with a diamine, functional group modelling for cross-linked polymers, formation of a polymer DGEBA, BPA polyaddition to DGEBA forming a polyether, DGEBA curing with Jeffamine and cross-linking to form a resin are analyzed. Nanocomposites of silica, coated with cross-linked epoxy–amine, are synthesized and examined by 29Si-magic-angle-spinning nuclear magnetic resonance and Fourier-transform infrared spectroscopies, thermogravimetric and dynamic mechanical analyses, differential scanning calorimetry and scanning electron microscopy. Epoxy matrix is filled with nanosilica to design materials with defined properties. A low weight percentage of filler results in matrix improvement

Molecular Classification of Antitubulin Agents with Indole Ring Binding at Colchicine-Binding Site

Algorithms for classification and taxonomy are proposed based on criteria as information entropy and its production. A set of 59 antitubulin agents with trimethoxyphenyl (TMP), indole, and C=O bridge present inhibition of gastric cancer cell line MNK-45. On the basis of structure-activity relation of TMPs, derivatives are designed that are classified using seven structural parameters of different moieties. A lot of categorization methods are founded on the entropy of information. On using processes on collections of reasonable dimension, an extreme amount of outcomes occur, matching information and suffering a combinatorial increase. Notwithstanding, following the equipartition conjecture, an assortment factor appears among dissimilar alternatives resultant from categorization among pecking order rankings. The entropy of information allows classifying the compounds and agrees with principal component analyses. A table of periodic properties TMPs is obtained. Features denote positions R1–4 on the benzo and X–R5/6 on the pyridine ring in indole cycle. Inhibitors in the same group are suggested to present similar properties; those in the same group and period will present maximum resemblance

Elemental Classification of Tea Leaves Infusions: Principal Component, Cluster and Meta-analyses

The elemental analysis of 11 teas consumed in Turkey is clustered by principal component analyses (PCAs) of metals and plant cluster analyses (CAs), which agree. Samples group into four classes. Elemental PCA and tea CA allow classifying them and concur. The first PCA axis explains 45%; the first two, 71%; the first three, 85% variance; etc. Different behaviours of teas depend on Cu, etc. They are considered as a good source of Mn, etc. Two elemental classes are distinguished: Cu-K-Mn and Fe-Na-Zn. Teas present adequate elemental contents, good antioxidant capacity and may be used as a functional beverage. They represent plants useful as a natural source for nutraceutical formulations

Fractal Dimension of Active-Site Models of Zeolite Catalysts

A method for the calculation of fractal surfaces of crystals is presented. The fractal dimension D of fragments of zeolites is calculated. Results compare well with reference calculations (GEPOL). The active site of Brønsted acid zeolites is modeled by a set of Al−OH−Si units. These units form 2–12-membered rings. Topological indices for the different active-site models are calculated. The comparison between GEPOL and SURMO2 allows calculating the active-site indices. Most cavities show no fractal character, while for the 6–8-unit rings, D lies in the range 4.0–4.3. The 6-ring shows the greatest D and is expected to be the most reactive.Biotecnologí

Revealing the relationship between vegetable oil composition and oxidative stability : a multifactorial approach

Funds for the study were provided by the Scottish Government's Rural and Environment Science and Analytical Services Division and conducted as part of the Scottish Government Strategic Research program. The authors acknowledge financial support from Generalitat Valenciana (Project No. PROMETEO/2016/094) and Universidad Católica de Valencia San Vicente Mártir (Projects Nos. PRUCV/2015/617 and 2017). Authors would like to thank Agrovillaserra S.L. (Villajos) for providing monovariatal virgin olive oils. L. Redondo-Cuevas acknowledges Catholic University of Valencia San Vicente Mártir for providing the grant to support the stay in Scotland.Peer reviewedPostprin

CULTURA CIENTÍFICA para la Enseñanza Secundaria

Este trabajo ha sido realizado en el marco de un proyecto de investigación docente concedido y financiado por el Vicerrectorado de Estudiantes y Acción Social y el Vicerrectorado de Investigación de la Universidad Católica de Valencia San Vicente Mártir. Con este proyecto se pretende que los alumnos de Enseñanza Secundaria Obligatoria (E.S.O.) adquieran una cultura científica y conozcan que la ciencia, la sociedad y la tecnología no se pueden concebir aisladamente. Alumnos y profesores hemos trabajado desde una perspectiva multidisciplinar a través de diferentes asignaturas y Grados Universitarios. En este caso el trabajo se centra en el descubrimiento del kevlar y sus distintos usos.Ciencias Experimentale

CULTURA CIENTÍFICA para la Enseñanza Secundaria

Este trabajo ha sido realizado en el marco de un proyecto de investigación docente concedido y financiado por el Vicerrectorado de Estudiantes y Acción Social y el Vicerrectorado de Investigación de la Universidad Católica de Valencia San Vicente Mártir. Con este proyecto se pretende que los alumnos de Enseñanza Secundaria Obligatoria (E.S.O.) adquieran una cultura científica y conozcan que la ciencia, la sociedad y la tecnología no se pueden concebir aisladamente. Alumnos y profesores hemos trabajado desde una perspectiva multidisciplinar a través de diferentes asignaturas y Grados Universitarios. La obra aborda la Optimización del proceso para aislar la quinina y sus aplicaciones, también sirvió como prólogo para sentar las bases de los alcaloides.Biotecnologí

Stable isotope studies on current home gardens of the Quebrada de Humahuaca (Jujuy, Argentina). Their potential contribution to Argentine Northwest paleodietarystudies

Presentamos una propuesta metodológica para la generación de marcos de referencia en los estudios paleodietarios, mediante el análisis de la composición isotópica del carbono y el nitrógeno (δ13C y δ15N) en arqueología. En particular, nos centraremos en cómo influyen algunas prácticas de cultivo en los valores isotópicos de las plantas procedentes de huertas familiares (siendo las especies escogidas Zea mays, Solanum tuberosum, Oxalis tuberosa, Ullucus tuberosus, Chenopodium quinoa y Opuntia ficus-indica, esta última como especie silvestre del área). La metodología propuesta consiste en: el relevamiento de información entre productores locales, la caracterización del suelo en cuanto a sus propiedades químicas (pH, conductividad eléctrica, carbono orgánico y nitratos) y la medición isotópica de los vegetales muestreados. A partir de los resultados obtenidos, podemos afirmar que al menos en entornos semiáridos, como es el caso de Quebrada de Humahuaca, la disponibilidad de nutrientes en el suelo repercute en los valores δ15N de Zea mays. Si bien no hay una relación lineal entre las variables propuestas y los resultados isotópicos obtenidos, se registró un rango más amplio de valores cuando la calidad del suelo fue menor.We present a methodological proposal for the construction of a frame of reference in paleodietary research through the analysis of Carbon and Nitrogen stable isotopes (δ13C y δ15N) in archaeology. In particular, we focus on the effect of certain harvest practices in the isotopic values of plants from family farms (the species chosen being Zea mays, Solanum tuberosum, Amaranthus caudatus, Chenopodium quinoa and Opuntia ficus-indica, this last as a wild plant from the area). The methodology consist in: collection of information among local producers, soil characterization in terms of their chemical properties (Ph, electrical conductivity, organic carbon and nitrate) and analysis of isotopic values from plants. Considering the results, we can state that at least in semi-arid environments, such as Quebrada de Humahuaca, nutrient availability in soils impact in Zea mays δ15N values. While there is not a linear relationship between the proposed variables and the isotopic result obtained, a wider range of values was found when soil quality was lower.Fil: Killian Galván, Violeta Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Geocronología y Geología Isotopica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Geocronología y Geología Isotópica; ArgentinaFil: Sanmartino, Gloria. Universidad de Buenos Aires. Facultad de Medicina. Escuela de Nutrición; ArgentinaFil: Castellano, Verónica. Universidad de Buenos Aires. Facultad de Filosofía y Letras; ArgentinaFil: Seldes, Verónica. Universidad de Buenos Aires. Facultad de Filosofía y Letras. Instituto de Ciencias Antropológicas. Sección Antropología Biológica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Marban, Liliana Graciela. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Geocronología y Geología Isotopica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Geocronología y Geología Isotopica; Argentin