Evaluation of activity of a commercial amylase under ultrasound-assisted irradiation

The main objective of this work was to evaluate the effects of ultrasound irradiation on the activity of a commercial amylase. A central composite design was carried out to assess the effects of temperature and pH on the enzyme activity in the presence and absence of ultrasound irradiation. The activation energy, the influence of treatment time as well as the substrate concentration on enzyme activity were also determined in the presence and absence of ultrasound irradiation. The results demonstrated that the effect of temperature was less pronounced in the presence of ultrasound, resulting in a decreasing of about 80% in the activation energy in comparison with the value obtained in the absence. The enzyme showed activities about 3 times higher for temperatures up to 40 °C in the presence of ultrasound. The pH negatively affected the activity in the presence of ultrasound, whereas in the absence a positive effect was verified. The ultrasound irradiation is a promising technology to be used in enzymatic reaction due to its positive effects on enzyme activity.     

Notes on the Polynomial Identities in Random Overlap Structures

In these notes we review first in some detail the concept of random overlap structure (ROSt) applied to fully connected and diluted spin glasses. We then sketch how to write down the general term of the expansion of the energy part from the Boltzmann ROSt (for the Sherrington-Kirkpatrick model) and the corresponding term from the RaMOSt, which is the diluted extension suitable for the Viana-Bray model.     

On oxygen-containing groups in chemically modified graphenes

Reduced graphenes (belonging to the class of chemically modified graphenes, CMG) are one of the most investigated and utilized materials in current research. Oxygen functionalities on the CMG surfaces have dramatic influences on material properties. Interestingly, these functionalities are rarely comprehensively characterized. Herein, the four most commonly used CMGs, mainly electrochemically reduced graphene oxide (ER-GO), thermally reduced graphene oxide (TR-GO), and the corresponding starting materials, that is, graphene oxide and graphite oxide, were comprehensively characterized by a wide variety of methods, such as high-resolution X-ray photoelectron spectroscopy, electrochemical impedance spectroscopy, UV/Vis spectroscopy, transmission electron microscopy (TEM), and voltammetry, to establish connections between the structures of these materials that carry different oxygen functionalities and their electrochemical behaviors. This was followed by the quantification of the negatively charged oxygen-containing groups (OCGs) by UV/Vis spectroscopy and of the electrochemically reducible OCGs by voltammetry. Lastly, a biofunctionalization with gold nanoparticle (AuNP)-modified DNA sequences was performed by the formation of covalent bonds with the carboxylic groups (-COOH) on the CMG surfaces. There was an evident predominance of functionalizable -COOH groups on the ER-GO surface, as confirmed by a higher amount of Au detected both with differential-pulse voltammetry and impedance spectroscopy, coupled with visualization by TEM. We exploited the DNA-Au bioconjugates as highly specific stains to localize and visualize the positions of carboxylic groups. Our findings are very important to clearly identify the presence, nature, and distribution of oxygen functionalities on different chemically modified graphenes.     

A Simple Synthesis of (R)(S)(E)-3,7-Dimethyl-2-octene-1,8-dioc Acid,a Copulation Release Pheromone Component of the Azuki Bean Weevil

(R)(S)(E)-3,7-dimethyl-2-octene-1,8-dioic acid, (R)(S)(E)-1, also named callosobruchusic acid, has been synthetized in five steps using a simple reaction sequence based on the zirconium-catalyzed methylalumination of commercially available 4-pentyn-1-ol, 2a, or its O-tert-butyldimethylsilyl ether, 2b.     

Structure-based approach for the study of estrogen receptor binding affinity and subtype selectivity

Estrogens exert important physiological effects through the modulation of two human estrogen receptor (hER) subtypes, alpha (hERalpha) and beta (hERbeta). Because the levels and relative proportion of hERalpha and hERbeta differ significantly in different target cells, selective hER ligands could target specific tissues or pathways regulated by one receptor subtype without affecting the other. To understand the structural and chemical basis by which small molecule modulators are able to discriminate between the two subtypes, we have applied three-dimensional target-based approaches employing a series of potent hER-ligands. Comparative molecular field analysis (CoMFA) studies were applied to a data set of 81 hER modulators, for which binding affinity values were collected for both hERalpha and hERbeta. Significant statistical coefficients were obtained (hERalpha, q(2) = 0.76; hERbeta, q(2) = 0.70), indicating the internal consistency of the models. The generated models were validated using external test sets, and the predicted values were in good agreement with the experimental results. Five hER crystal structures were used in GRID/PCA investigations to generate molecular interaction fields (MIF) maps. hERalpha and hERbeta were separated using one factor. The resulting 3D information was integrated with the aim of revealing the most relevant structural features involved in hER subtype selectivity. The final QSAR and GRID/PCA models and the information gathered from 3D contour maps should be useful for the design of novel hER modulators with improved selectivity.