Chemistry

In the present study, a series of Benzylidine pyrrole -2- carbohydrazide derivatives are synthesized and docking study is performed to rationalize the possible interactions between the sy nthesized compounds and active site of Enoyl-acyl carrier protein reductase. All compounds are screened for antitubercular activity against M.tuberculosis H37Rv using Microplate Alamar Blue Assay. Amongst all the compounds four are found to be most potent.

A facile and efficient catalyst- and oxidant-free multicomponent synthesis of a small library of highly substituted pyrido[2,3-d]pyrimidine derivatives is reported. The products were obtained within relatively short reaction times in good to excellent yields in the presence of deep eutectic solvents as media and promoters. Simple purification and reusability of the deep eutectic solvent were the other beneficial factors of the reported protocol. All of the synthesized derivatives were thoroughly screened for possible in vitro antibacterial and antifungal effects against twenty-two bacterial and three fungal pathogens. Some of the prepared pyrido[2,3-d]pyrimidine derivatives showed remarkable antibacterial and antifungal activities in comparison with some typical known antibacterial and antifungal agents. Finally, the derivatives possessing bioactivity effects were subjected to quantum chemical computational studies in order to reveal the probable structural and electronic effects governing the spotted bioactivities. It was found that the observed bioactivities could be best devoted to the HOMO–LUMO energy gap and para delocalization index of the corresponding derivatives.

The acute toxicities of five naphthoquinone compounds to Photobacterium phosphoreum were determined. We evaluated the mechanism of toxicity using the structure-activity relationship technique. The results showed that some factors, including the species of substituents, shape/size of molecule and oil–water partition coefficient (log P) played the important roles in the interaction between the naphthoquinones and the target. Among of these, the toxicities

This work was devoted on quantum mechanical ab initio study on hydrophobicity 6-amino-4-phenyltetrahydroquinoline derivatives as antagonist for FSH- receptor. The electronic structures were optimized based on general interaction properties function. Family descriptors of electrostatic potentials, localized ionization energies and carbon chemical shifts descriptorswere computed using the Gaussian98 software.Multiple linear regression was used to achieve a reliable QSPR model to predict the hydrophobicity of 6-amino-4-phenyltetrahydroquinoline derivatives within average absolute errors of 3.22%. The accuracy of developed model was confirmed using different types of internal procedures. It was found that quantum mechanical source of dispersion forces have less contribution on hydrophobicity of 6-amino-4-phenyltetrahydroquinoline derivatives, whereas the intra-molecular charge transfer interactions, surprisingly, show major impact on their hydrophobicity properties.

This work was devoted on quantum mechanical ab initio study on hydrophobicity 6-amino-4-phenyltetrahydroquinoline derivatives as antagonist for FSH- receptor. The electronic structures were obtimized based on gerneral interaction properties function. A family descriptors of electrostatic potentials, localized ionization energies and carbon chemical shifts discriptors were computed using the Gaussian98 software.Multiple linear regression was used to achieve a reliable QSPR model to predict the hydrophobicity of 6-amino-4-phenyltetrahydroquinoline derivatives within average absolute errors of 5.0%. The accuracy of developed model was confirmed using different types of internal procedures. It was found that quantum mechanical source of dispersion forces has less contribution on hydrophobicity of 6-amino-4-phenyltetrahydroquinoline derivatives, whereas the charge transfer interactions, surprisingly, show the major impact on their hydrophobicity properties.

Compact Marx generators are known for delivering high power in very short duration and do not require any separate pulse shaping components. The design and operation of 10 stage co-axial Marx generator with fast rise time of 2.4 ns, maximum voltage 300 kV, pulse width 20 ns, energy 4.2 J and impedance 71 Ω has been presented. The Marx generator is capable of delivering the peak power of ~500 MW with 100 Ω load. The coaxial geometry is used throughout the system to achieve high value of capacitance and low value of inductance leading to low impedance and also uses single point triggering for erection. The generator is presented with consideration of internal inductance and stray capacitance. The strontium titanate 1 (SrTi0 3 ) capacitors are used in this experiment due to very low derating capacitance at rated voltage, high dielectric strength and high current capacity. This set-up is pressurized by dry nitrogen air for the charging of Marx to -30 kV. The erected series current is me...

The blood flow from the placenta to the fetus depends on human umbilical vein (HUV) vascular tone. ATP-sensitive K(+) (K(ATP)) channels link the metabolic state of the cell to membrane potential, and their activation in the HUV represents protection against hypoxia. The aims of our study were to assess the effects of resveratrol and naringenin on the HUV and to define the roles of K(ATP) channels in their effects. Serotonin or 100 mM K(+) were used for precontraction of the HUV without endothelium. The cumulative concentration-response curves were obtained by adding increasing concentrations of resveratrol or naringenin. Glibenclamide was used, in order to test the role of K(ATP) channels in its effect. Resveratrol induced more potent vasodilatation of serotonin- and 100 mM K(+)-precontracted HUV than naringenin. Glibenclamide induced significant shift to the right of the concentration-response curves of resveratrol and P1075 (a specific opener of K(ATP) channels). Western blotting showed that HUV expressed protein Kir6.1. Thus, resveratrol and naringenin produce dilatation of HUV. It seems that K(ATP) channels are involved in the relaxation of HUV induced by resveratrol, while naringenin seems to interact with other ion channels. The K(+) channel-independent mechanism(s) of these polyphenols could not be excluded.

Lipoxidation caused by ultrasound treatment was investigated. Its effects on total phenol content (TPC), total flavonoid content (TFC), antioxidant activity (AA) and phenols extraction kinetics in Tartary buckwheat extracts were also studied. Malondialdehyde (MDA) levels and peroxide value (PV) were used to measure lipoxidation. Kinetic modeling of phenol extraction was also done according to Fick's second law of diffusion. Increasing treatment time increased TPC, TFC and AA significantly (p

Interest in gluten free and partially replaced wheat products have increased in recent years, hence the need for ingredients that can replace wheat in bakery products without compromising sensory and textural characteristics. The study evaluated the effect of partially and totally substituting wheat flour and margarine with brown rice flour and peanut paste on the sensory, nutritional and textural characteristics of the cake formulations. Total substitution of wheat flour with brown rice flour, and margarine with peanut paste was to produce a gluten free product with increased nutritional value. The study followed a 2 x 2 factorial design with replacement of wheat flour by brown rice flour (partially and totally) and replacement of margarine with peanut paste (partially and totally) as factors. Cake products with partially replaced margarine rated better in taste and overall acceptability than formulations in which margarine was totally replaced with peanut paste. However the gluten...

Oroxylum indicum (L.) Vent. belongs to family bignoniaceae and contain flavonoids of medicinal value, the chrysin is among them. Chrysin has many biological activities i.e. antibacterial, antioxidant, antiinflammatory, antiallergic, anticancer and antiestrogenic. A study was conducted to ascertain the variation of chrysin content in the roots of Oroxylum indicum among three different growth stages i.e. seedling, pole and tree. The chrysin content in roots extracted from three stages were analyzed by using HPLC. It was observed that, seedling stage had traces of chrysin (3.3148 μg ml-1).

Nas últimas décadas o uso de argilominerais nas áreas de Ciência e Engenharia de Materiais tem recebido notória atenção para a sua utilização no carreamento de fármacos. Dentre os diversos tipos de argilas, as fibrosas e as tubulares tem sido utilizadas na preparação de bionanocompósitos, devido as suas propriedades inerentes, como exemplo a elevada área superficial. Esta pesquisa visou o levantamento bibliográfico da utilização das argilas tubulares e fibrosas para o carreamento de fármacos. A busca por artigos foi realizado no banco de dados Web of Science, utilizando combinação dos termos: Fibrous Clay and drug delivery, Tubular Clay and drug delivery, Halloysite and drug delivery, Imogolite and drug delivery, Palygoskite and drug delivery e Sepiolite and drug delivery. Foram encontrados o total de 36 artigos durante a pesquisa. Observou-se que a maioria dos artigos utilizam as argilas em combinação com outros materiais (com formação de compósitos e blendas), principalmente polím...

The antioxidant activities of aqueous extract (AE) of Orbignya phalerata were assessed in vitro as well as its effect on locomotor activity and motor coordination in mice. AE does not possesses a strong antioxidant potential according to the scavenging assays; it also did not present scavenger activity in vitro. Following oral administration, AE (1, 2 and 3 g/kg) did not significantly change the motor activity of animals when compared with the control group, up to 24 h after administration and did not alter the remaining time of the animals on the Rota-rod apparatus. Further studies currently in progress will enable us to understand the mechanisms of action of the aqueous extract of Orbignya phalerata widely used in Brazilian flok medicine.