776 resultados para Economic Importance Of J. Curcas


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To obtain a state-of-the-art benchmark potential energy surface (PES) for the archetypal oxidative addition of the methane C-H bond to the palladium atom, we have explored this PES using a hierarchical series of ab initio methods (Hartree-Fock, second-order Møller-Plesset perturbation theory, fourth-order Møller-Plesset perturbation theory with single, double and quadruple excitations, coupled cluster theory with single and double excitations (CCSD), and with triple excitations treated perturbatively [CCSD(T)]) and hybrid density functional theory using the B3LYP functional, in combination with a hierarchical series of ten Gaussian-type basis sets, up to g polarization. Relativistic effects are taken into account either through a relativistic effective core potential for palladium or through a full four-component all-electron approach. Counterpoise corrected relative energies of stationary points are converged to within 0.1-0.2 kcal/mol as a function of the basis-set size. Our best estimate of kinetic and thermodynamic parameters is -8.1 (-8.3) kcal/mol for the formation of the reactant complex, 5.8 (3.1) kcal/mol for the activation energy relative to the separate reactants, and 0.8 (-1.2) kcal/mol for the reaction energy (zero-point vibrational energy-corrected values in parentheses). This agrees well with available experimental data. Our work highlights the importance of sufficient higher angular momentum polarization functions, f and g, for correctly describing metal-d-electron correlation and, thus, for obtaining reliable relative energies. We show that standard basis sets, such as LANL2DZ+ 1f for palladium, are not sufficiently polarized for this purpose and lead to erroneous CCSD(T) results. B3LYP is associated with smaller basis set superposition errors and shows faster convergence with basis-set size but yields relative energies (in particular, a reaction barrier) that are ca. 3.5 kcal/mol higher than the corresponding CCSD(T) values

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En aquesta tesi s'ha caracteritzat la ruta d'internalització de l'onconasa, una RNasa citotòxica. Els resultats indiquen que l'onconasa entra a les cèl·lules per la via dependent de clatrina i del complex AP-2. Seguidament es dirigeix als endosomes de reciclatge i es a través d'aquesta ruta que la proteïna exerceix la citotoxicitat. Per altra banda, els resultats d'aquest treball demostren que PE5, una variant citotòxica de la ribonucleasa pancreàtica humana (HP-RNasa), interacciona amb la importina  mitjançant diferents residus que tot i que no són seqüencials, es troben propers en l'estructura tridimensional d'aquesta proteïna. PM8 és una HP-RNasa amb estructura cristal·logràfica dimèrica constituïda per intercanvi de dominis N-terminals. En aquesta tesi s'han establert les condicions per estabilitzar aquest dimer en solució i també es proposa un mecanisme per la dimerització.

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While the management consulting industry has been largely linked to the knowledge produced within the disciplines of strategic management in the academic field, the truth is that very little literature is produced in terms of research in this area, while the researchers focused more on a set of static techniques to be applied in the development of this field of research concerns. This article seeks to bridge this gap as well, showing by example that the consultancy sector is a true field of opportunities for the study of relationships management. This presentation is thus the aim of contributing both theoretically and empirically in the area of relationships through research in the context of management consulting, trying to visualize how the relationships are manifested in a context of high involvement and personal contact, and what’s the perception that must be taken into consideration by clients and consultants in terms of the benefits of their greater or lesser degree of involvement.

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While the management consulting industry has been largely linked to the knowledge produced within the disciplines of strategic management in the academic field, the truth is that very little literature is produced in terms of research in this area, while the researchers focused more on a set of static techniques to be applied in the development of this field of research concerns. This article seeks to bridge this gap as well, showing by example that the consultancy sector is a true field of opportunities for the study of relationships management. This presentation is thus the aim of contributing both theoretically and empirically in the area of relationships through research in the context of management consulting, trying to visualize how the relationships are manifested in a context of high involvement and personal contact, and what’s the perception that must be taken into consideration by clients and consultants in terms of the benefits of their greater or lesser degree of involvement.

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The widening of the notion of heritage and the consequent redefinition of the “museological object”, the idea of community participation in the definition and management of the museological practice, museology as a development factor, the issues of interdisciplinarity, the use of “new technologies” of information and museography as an autonomous communications means, are examples of issues resulting from contemporary museological practices. If indeed museology in Portugal intends to continue to participate in international museology’s renovation process, it is evident that it must adequately (re)think theoretical and practical museology so as to meet the new demands…

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This paper discusses the importance of direct and intense language instruction for hearing impaired children in developing language and communication skills. The author presents a variety of activities for teacher use.

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This study discusses the importance of parental involvement in children’s language development, and the related project offers parents books and activities to assist them in developing their children’s linguistic skills.

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The focus of this study was to provide a summary of the existing literature concerning parental stress. The goal of highlighting factors that contribute to increased stress levels and the effects of stress on parents and children was to provide deaf educators with an understanding of parental stress and insight into the need for programs that minimize stress.