Theoretical Investigation of the Bond-Bond Interaction Force Constant in XF2 Molecules

Chemistr

Environmental stress evaluation of Coffea arabica L. leaves from spectrophotometric fingerprints by PCA and OSC-PLS-DA

The effects of hydric stress and sunlight access conditions on metabolic compounds in coffee leaves were investigated utilizing statistical mixture design extractor solvents. PCA and OSC-PLS-DA chemometric methods were used to analyze UV-visible spectra of irrigated and non-irrigated Coffea arabica L. leaves from low (80 cm, light exposed) strata. The first latent variable of the OSC-PLS-DA score plot perfectly discriminated extracts of 34 calibration and 14 validation samples of irrigated and non-irrigated leaves. Higher spectral signals observed at the 410, 505, 535, 607 and 665 nm wavelengths are attributed to conjugate double bond pigments, mainly pheophytin a, indicating that non-irrigated conditions are more stressful than irrigated ones for this species. No significant difference was found for leaf sample extracts with varying light access conditions12842514257CAPES - Coordenação de Aperfeiçoamento de Pessoal e Nível SuperiorCNPQ - Conselho Nacional de Desenvolvimento Científico e Tecnológicosem informaçãosem informaçãoThe authors acknowledge the financial support of CNPq, CAPES, INCT – Energia e Ambiente and Fundação Araucária as well as for the scholarships granted. The Agronomic Institute of Paraná (IAPAR) is thanked for supplying the coffee leaf samples used in this wor

Processo De Produção Da Violaceìna E Deoxiviolaceina Otimizado Por Planejamento Fatorial E Análise De Superfìcie De Resposta Pela Chromobacterium Violaceum

Trata-se de um procedimento para a otimização da produção de violaceína e deoxiviolaceína através de planejamentos experimentais baseados em princípios estatísticos. Na fase inicial 11 fatores foram analisados: fonte de carbono (glicose), extrato de levedura, metionina, vitamina B12, L-triptofano, agitação, temperatura, pH (tampão fosfato), peptona, inóculo e concentração de sulfato de zinco. Um planejamento experimental fracionário padrão 215-11 foi usado. Na Segunda fase um planejamento composto central envolvendo 5 fatores: fonte de carbono (glicose), extrato de levedura, L-triptofano, peptona e sulfato de zinco. Foram escolhidos baseados no resultado do planejamento fatorial fracionário anterior. O planejamento consiste em um fatorial fracionárioBR0100199 (A)A61K35/74A61P31/04A61P33/00A61P35/00A61K35/74A61P31/04A61P33/00A61P35/00BR20010100199A61K35/74A61P31/04A61P33/00A61P35/00A61K35/74A61P31/04A61P33/00A61P35/0

Proceedings of the 3rd Biennial Conference of the Society for Implementation Research Collaboration (SIRC) 2015: advancing efficient methodologies through community partnerships and team science

It is well documented that the majority of adults, children and families in need of evidence-based behavioral health interventionsi do not receive them [1, 2] and that few robust empirically supported methods for implementing evidence-based practices (EBPs) exist. The Society for Implementation Research Collaboration (SIRC) represents a burgeoning effort to advance the innovation and rigor of implementation research and is uniquely focused on bringing together researchers and stakeholders committed to evaluating the implementation of complex evidence-based behavioral health interventions. Through its diverse activities and membership, SIRC aims to foster the promise of implementation research to better serve the behavioral health needs of the population by identifying rigorous, relevant, and efficient strategies that successfully transfer scientific evidence to clinical knowledge for use in real world settings [3]. SIRC began as a National Institute of Mental Health (NIMH)-funded conference series in 2010 (previously titled the “Seattle Implementation Research Conference”; $150,000 USD for 3 conferences in 2011, 2013, and 2015) with the recognition that there were multiple researchers and stakeholdersi working in parallel on innovative implementation science projects in behavioral health, but that formal channels for communicating and collaborating with one another were relatively unavailable. There was a significant need for a forum within which implementation researchers and stakeholders could learn from one another, refine approaches to science and practice, and develop an implementation research agenda using common measures, methods, and research principles to improve both the frequency and quality with which behavioral health treatment implementation is evaluated. SIRC’s membership growth is a testament to this identified need with more than 1000 members from 2011 to the present.ii SIRC’s primary objectives are to: (1) foster communication and collaboration across diverse groups, including implementation researchers, intermediariesi, as well as community stakeholders (SIRC uses the term “EBP champions” for these groups) – and to do so across multiple career levels (e.g., students, early career faculty, established investigators); and (2) enhance and disseminate rigorous measures and methodologies for implementing EBPs and evaluating EBP implementation efforts. These objectives are well aligned with Glasgow and colleagues’ [4] five core tenets deemed critical for advancing implementation science: collaboration, efficiency and speed, rigor and relevance, improved capacity, and cumulative knowledge. SIRC advances these objectives and tenets through in-person conferences, which bring together multidisciplinary implementation researchers and those implementing evidence-based behavioral health interventions in the community to share their work and create professional connections and collaborations

As derivadas de momento dipolar e as intensidades vibracionais dos difluoroetilenos

Tese (livre-docencia) - Universidade Estadual de Campinas, Instituto de QuimicaAcompanha memorialTese (livre-docencia) - Unive

Statistical Mixture Design--principal Component Optimization For Selective Compound Extraction From Plant Material.

A simplex centroid design is used to optimize solvent mixtures for selective extraction of compounds from Erythrina speciosa Andrews leaves. Three main groups of compounds characterized by chromatographic retention times of 1.7, 3.1, and 6.6 min were extracted. The chromatographic peak heights registered at 1407 equally spaced times for each design extract were converted into principal components (PCs). Three PCs account for 89.1% of the data variance and have important loading values at the above retention times. Quadratic mixture models were found to adequately describe the response surfaces of their PC score values. Maximizing the first PC scores while minimizing the second and third ones results in an optimum 83% dichloromethane-17% acetone mixture that selectively extracts the group of compounds with retention times around 3.1 min. Maximizing the second PC scores and minimizing the third PC scores leads to a 78% hexane-22% acetone mixture adequate for extracting the 6.6 min retention time compounds as well as other compounds with high retention times. The 1.7 min group of compounds is most efficiently extracted on maximizing the third PC that results in a 50% ethanol-50% acetone mixture. The Derringer-Suich algorithm confirmed the determination of these optimized mixtures.303302-1

Precisão dos métodos refratométricos para análise de umidade em mel Precision of the refractometric methods of moisture honey analysis

Para a determinação dos teores de umidade de mel, a legislação brasileira adota o método refratométrico proposto pela AOAC. No entanto, em outro trabalho, os autores observaram que a cristalização interferia na medida do índice de refração quando a amostra de mel se encontrava cristalizada e, portanto, eram obtidos teores de umidade superestimados. A Comissão Européia de Mel (EHC) adota outro método refratométrico, que usa um pré-tratamento da amostra quando esta estiver cristalizada. Assim, o objetivo deste trabalho foi comparar a precisão destes métodos refratométricos por diferentes técnicas estatísticas e estabelecer então o procedimento mais adequado para a análise de umidade em mel. Os resultados da análise dos teste t no nível de 95,0% de confiança para os teores médios de umidade das amostras de méis sugeriram que existiam diferenças significativas entre os dois métodos refratométricos (AOAC e EHC) somente para as amostras cristalizadas. A análise dos desvios padrão pela aplicação do teste F e construção de intervalos de confiança mostrou que o método da EHC foi mais preciso que o da AOAC para amostras de méis cristalizados. Desta forma, pode-se sugerir a adoção pela legislação brasileira do método refratométrico da EHC, como método oficial por este não apresentar erros sistemáticos.<br>For the determination of the moisture contents of honey, the Brazilian legislation adopts the refractometric method proposed by AOAC. However, in other work, the authors observed that the crystallization interferes in the refractive index measurement when the honey sample if encountered crystallized and, therefore, moisture contents overestimated were obtained. The European Honey Commission (EHC), adopt other refractometric method that use a pre-treatment of sample when this one was crystallized. So, the objective of this work was to compare the precision of these refractometric methods by different statistical techniques and it establish thus the more adequate procedure for moisture analysis in honey. The results of t-tests analysis in the 95% confidence level for the average moisture contents of the honey samples suggested that there were significant differences between the two-refractometric methods (AOAC e EHC) only for the crystallized samples. The analysis of standard deviations by application of F-test and building of confidence intervals shown that the EHC method was more precise than the AOAC methodology for the crystallized honey samples. In this way, it may be suggested the adoption by Brazilian legislation of refractometric method of EHC, as official method, by this one not present systematic errors