Determination of the r? structure corrected for correlated deformation and of the bond contributions to the degree of order of 1,3-butadiene by NMR of the partially oriented molecule

1990 ◽  
Vol 1 (2-3) ◽  
pp. 259-263 ◽  
Author(s):  
R. Wasser ◽  
P. Diehl
Author(s):  
T. A. Welton

An ultimate design goal for an improved electron microscope, aimed at biological applications, is the determination of the structure of complex bio-molecules. As a prototype of this class of problems, we propose to examine the possibility of reading DNA sequence by an imaginable instrument design. This problem ideally combines absolute importance and relative simplicity, in as much as the problem of enzyme structure seems to be a much more difficult one.The proposed technique involves the deposition on a thin graphite lamina of intact double helical DNA rods. If the structure can be maintained under vacuum conditions, we can then make use of the high degree of order to greatly reduce the work involved in discriminating between the four possible purine-pyrimidine arrangements in each base plane. The phosphorus atoms of the back bone form in projection (the helical axis being necessarily parallel to the substrate surface) two intertwined sinusoids. If these phosphorus atoms have been located up to a certain point on the molecule, we have available excellent information on the orientation of the base plane at that point, and can then locate in projection the key atoms for discrimination of the four alternatives.


1975 ◽  
Vol 36 (C1) ◽  
pp. C1-55-C1-57 ◽  
Author(s):  
I. I. KONSTANTINOV ◽  
V. L. KHODZHAEVA ◽  
M. V. SHISHKINA ◽  
Y. B. AMERIK
Keyword(s):  

e-xacta ◽  
2017 ◽  
Vol 10 (2) ◽  
pp. 73 ◽  
Author(s):  
Heloísa Righi Pessoa da Silva ◽  
Roberta Pazinato Cuco ◽  
Barbara Daniele Almeida Porciuncula ◽  
Camila Da Silva

<p>Este estudo tem como objetivo a obtenção de dados cinéticos da secagem de cenouras, bem como o ajuste de modelos matemáticos aos dados experimentais e determinação dos parâmetros termodinâmicos do processo. Buscando este propósito, experimentos foram conduzidos em estufa com renovação e circulação de ar, nas temperaturas de 50, 60, 70 e 80 °C. Os modelos matemáticos foram ajustados aos dados das cinéticas de secagem à diferentes temperaturas, e os modelos de Page e de Midilli apresentaram o maior coeficiente de correlação (R<sup>2</sup>) e menor valor de RMSE. Da análise termodinâmica verificou-se que a entalpia e a energia livre de Gibbs diminuíram com o aumento da temperatura, característico de um processo endotérmico. A entropia apresentou valores negativos e diminuiu com a diminuição na temperatura de secagem, isto indica que há um aumento no grau de ordem do sistema, considerado desfavorável entropicamente.</p><p> </p><p>ABSTRACT</p><p>This study aims to obtain kinetic data of carrot drying, as well as the adjustment of mathematical models to the experimental data and determination of the thermodynamic parameters of the process. For this purpose, experiments were conducted in an oven with renovation and circulation of air, at temperatures of 50, 60, 70 and 80 °C. The mathematical models were adjusted to the drying kinetics data at different temperatures, and the Page and de Midilli models presented the highest correlation coefficient (R<sup>2</sup>) and lowest RMSE values. From the thermodynamic analysis it was verified that the enthalpy and the free energy of Gibbs decreased with the increase of the temperature, characteristic of an endothermic process. The entropy presented negative values and decreased with the decrease in the drying temperature, this indicates that there is an increase in the degree of order of the system, considered as entropically unfavorable.</p>


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