Experimental and Theoretical Charge Density Analysis of Polymorphic Structures: The Case of Coumarin 314 Dye

Experimental charge density distributions in two known conformational polymorphs (orange and yellow) of coumarin 314 dye are analyzed based on multipole modeling of X-ray diffraction data collected at 100 K. The experimental results are compared with the charge densities derived from multipole modeling of theoretical structure factors obtained from periodic quantum calculation with density functional theory (DFT) method and B3LYP/6-31G(d,p) level of theory. The presence of disorder at the carbonyl oxygen atom of ethoxycarbonyl group in the yellow form, which was not identified earlier, is addressed here. The investigationof intermolecular interactions, based on Hirshfeld surface analysis and topological properties via quantum theory of atoms in molecule and total electrostatic interaction energies, revealed significant differences between the polymorphs. The differences of electrostatic nature in these two polymorphic forms were unveiled via construction of three-dimensional deformation electrostatic potential maps plotted over the molecular surfaces. The lattice energies evaluated from ab initio calculations on the two polymorphic forms indicate that the yellow form is likely to be the most favorable thermodynamically. The dipole moments derived from experimental and theoretical charge densities and also from Lorentz tensor approach are compared with the single-molecule dipole moments. In each case, the differences of dipole moments between the polymorphs are identified.

Diário da Constituinte [gravação de vídeo] : [programa n. 314]

Comissão de Sistematização define eleição Direta para Presidente da República e mandato de 4 anos para o Presidente Sarney. A Comissão também garante a reserva de mercado para a Informática. A Comissão de Educação estabelece porcentagem das verbas destinadas à Educação. Aprovada a criação dos Estados de Tocantins, Amapá e Roraima.

Kommentar zum Worm-et-al.-Artikel„Impacts of Biodiversity Loss on Ocean Ecosystem Services“: erschienen im Wissenschaftsmagazin Science, Vol. 314, am 3. November 2006

Folgende Kernbehauptungen bzw. Hypothesen werden in dem Worm-et-al.-Artikel aufgestellt: -Der Verlust an Biodiversität (Artenzahl) in einem Meeresgebiet reduziert tief greifend seine Produktivität und seine Stabilität in Stressperioden, hervorgerufen u.a. durch Überfischung und Klimaänderung. -Die Zahl der kollabierten Arten nimmt zu. Dieser Trend projeziert den Kollaps aller wildlebenden Arten und Bestände, die gegenwärtig befischt werden, auf das Jahr 2048. -Diese Entwicklung ist zum gegenwärtigen Zeitpunkt reversibel, denn das Meer besitzt noch ein großes Potential sich zu regenerieren. Dazu ist aber mehr Umweltschutz notwendig.

优质春小麦新品种高原314的性状表现及推广前景

高原314春小麦新品种在青海省乐都县川水地区突出表现为产量高、品质优、落黄好,可以作为现有水地春小麦替代品种大面积推广应用.

春小麦新品种高原314及其栽培技术

高原314是中国科学院西北高原生物研究所农业中心通过有性杂交培育的春小麦新品种，2001年12月通过青海省农作物品种审定委员会审定，品种原代号为95-314，现定名为高原314，属小麦Var. graecum Korn的变种。品种组合为：高原602 * {[ST142 * [(82宁182 * 82原11) * 47-2]] * [(78-17-3 * 83-228-3) * (Chanal * 338)]}F_3。

Pl2 resistance gene differentiates the pathogenicity in four "Plasmopara halstedii" (sunflower downy mildew) races 304, 704, 314 and 714

In order to clarify the role of Pl2 resistance gene in differentiation the pathogenicity in Plasmopara halstedii (sunflower downy mildew), analyses were carried out in four pathotypes: isolates of races 304 and 314 that do not overcome Pl2 gene, and isolates of races 704 and 714 that can overcome Pl2 gene. Based on the reaction for the P. halstedii isolates to sunflower hybrids varying only in Pl resistance genes, isolates of races 704 and 714 were more virulent than isolates of races 304 and 314. Index of aggressiveness was calculated for pathogen isolates and revealed the presence of significant differences between isolates of races 304 and 314 (more aggressive) and isolates of races 704 and 714 (less aggressive). There were morphological and genetic variations for the four P. halstedii isolates without a correlation with pathogenic diversity. The importance of the Pl2 resistance gene to differentiate the pathogenicity in sunflower downy mildew was discussed.

The ϝhεδιέστας inscription from archaic Argos (SEG 11:314): a reconsideration

This article offers a re-edition of SEG 11:314, Argos inventory number E274, based on re-examination of the stone and of recently rediscovered squeezes preserving material now lost from the stone; these allow improved readings in numerous places. We also offer a reinterpretation of the disputed syntax of the last three lines, which we translate ‘As for the things with which a δαμιοργóς is to compel (him to make amends), the ἀμφίπολος is to give thought to these things’.

Observation of initial clinical manifestations and repercussions from the treatment of 314 human injuries caused by black sea urchins (Echinometra lucunter) on the southeastern Brazilian coast

INTRODUÇÃO: Os acidentes causados por ouriços-do-mar são as ocorrências por animais marinhos mais comuns no país. O ouriço-do-mar preto (Echinometra lucunter) é a espécie que mais causa ferimentos em banhistas. MÉTODOS: Este trabalho registrou e estudou 314 agravos com ênfase nas manifestações clínicas iniciais observadas e suas implicações na terapêutica recomendada. RESULTADOS: Todos os acidentes foram causados pelo ouriço-do-mar preto e aconteceram em banhistas. As lesões e a dor foram associadas ao trauma causado pela penetração das espículas (não ocorreu inflamação ou dor imediata sem pressão sobre os pontos comprometidos). As complicações deste tipo de acidente, incluindo infecções e granulomas de corpo estranho, estão associadas com a permanência das espículas nos ferimentos. CONCLUSÕES: Foi confirmado o fato do acidente causado por esta espécie ser o mais comum no Brasil e apresentar caráter traumático, sendo a principal recomendação a retirada precoce dos espinhos para prevenção de complicações tardias como as infecções e formação de granulomas de corpo estranho.

Jornal da UNESP, 2015, ano XXXI, n. 314

Jornal elaborado pela Assessoria de Comunicação e Imprensa da Reitoria da UNESP