scholarly journals Improved Synthesis of 4-Cyanotryptophan and Other Tryptophan Analogues in Aqueous Solvent Using Variants of TrpB from Thermotoga maritima

2018 ◽  
Vol 83 (14) ◽  
pp. 7447-7452 ◽  
Author(s):  
Christina E. Boville ◽  
David K. Romney ◽  
Patrick J. Almhjell ◽  
Michaela Sieben ◽  
Frances H. Arnold
Keyword(s):  
Thermotoga Maritima ◽  
Aqueous Solvent ◽  
Tryptophan Analogues

Exemplar Abstract for Thermotoga maritima Huber et al. 1986.

2003 ◽  
Author(s):  
Charles Thomas Parker ◽  
Dorothea Taylor ◽  
George M Garrity
Keyword(s):  
Thermotoga Maritima

Quantitative Structure-activity Relationship Analysis for Predicting Lipophilicity of Aniline Derivatives (Including some Pharmaceutical Compounds)

2019 ◽  
Vol 22 (5) ◽  
pp. 333-345
Author(s):  
Morteza Rezaei ◽  
Esmat Mohammadinasab ◽  
Tahere Momeni Esfahani
Keyword(s):  
Density Functional ◽  
Pharmaceutical Compounds ◽  
Partial Least Square ◽  
Least Square ◽  
Basis Set ◽  
Van Der Waals Volume ◽  
Relationship Analysis ◽  
Aniline Derivatives ◽  
Aqueous Solvent ◽  
Qsar Models

Background: In this study, we used a hierarchical approach to develop quantitative structureactivity relationship (QSAR) models for modeling lipophilicity of a set of 81 aniline derivatives containing some pharmaceutical compounds. Objective: The multiple linear regression (MLR), principal component regression (PCR) and partial least square regression (PLSR) methods were utilized to construct QSAR models. Materials & Methods: Quantum mechanical calculations at the density functional theory level and 6- 311++G** basis set were carried out to obtain the optimized geometry and then, the comprehensive set of molecular descriptors was computed by using the Dragon software. Genetic algorithm (GA) was applied to select suitable descriptors which have the most correlation with lipophilicity of the studied compounds. Results: It was identified that such descriptors as Barysz matrix (SEigZ), hydrophilicity factor (Hy), Moriguchi octanol-water partition coefficient (MLOGP), electrophilicity (ω/eV) van der Waals volume (vWV) and lethal concentration (LC50/molkg-1) are the best descriptors for QSAR modeling. The high correlation coefficients and the low prediction errors for MLR, PCR and PLSR methods confirmed good predictability of the three models. Conclusion: In present study, the high correlation between experimental and predicted logP values of aniline derivatives indicated the validation and the good quality of the resulting three regression methods, but MLR regression procedure was a little better than the PCR and PLSR methods. It was concluded that the studied aniline derivatives are not hydrophilic compounds and this means these compounds hardly dissolve in water or an aqueous solvent.

Study of Photocatalytic Dergradation, Kinetics and Microbial Activities of Copper (ii) Soya Urea Complex in Non Aqueous Media

2020 ◽  
Vol 17 ◽  
Author(s):  
Vandana Sukhadia ◽  
Rashmi Sharma ◽  
Asha Meena
Keyword(s):  
Staphylococcus Aureus ◽  
Photocatalytic Degradation ◽  
Degradation Kinetics ◽  
Waste Water Treatment ◽  
Aqueous Media ◽  
Research Work ◽  
Solvent Polarity ◽  
Urea Complex ◽  
Pseudo First Order Reaction ◽  
Aqueous Solvent

Aims: The aim of this research work is to synthesise, study and analyse photocatalytic degradation, kinetics and microbial activity of new surfactant Copper (II) soya urea complex(CSU). Background: Photocatalytic degradation has attracted the attention of scientific community throughout the world due to its multiple applications in environment, energy, waste water treatment, pollution control, green chemistry, etc. Copper (II) soya urea complex has been synthesized and characterized through FT-IR, NMR, ESR studies. Objective: Present work deals with the study of photocatalytic degradation of Copper (II) soya urea complex by using ZnO as semiconductor. This study employs a semiconductor catalyst using non polar and non aqueous solvent in photocatalytic degradation. Reaction rate is chosen as the photocatalytic activity, which has been governed by several factors. Antibacterial activities of Copper (II) complex have also been studied against Staphylococcus aureus. Method: Optical density (O.D.) was measured after different time intervals spectrophotometrically to measure the degradation of complex. Mueller-Hinton agar medium was used for antimicrobial activity of synthesized compound at different concentrations by disk/ well diffusion susceptibility testing. Result: Plot of 2+log O.D. (absorbance) versus time was plotted and found linear. The heterogeneous photocatalysis followed pseudo-first-order reaction kinetics.The present study suggests that Copper (II) soya urea (CSU) complex shows antibacterial activity against Staphylococcus aureus at different concentrations. Conclusion: The results were used to determine the rate of photocatalytic degradation of CSU complex .It has been found that rate of degradation varies with different parameters like concentration of complex, amount of catalyst, light intensity, solvent polarity etc. CSU complex derived from soyabean oil has been shown an inhibitory effect on the growth of S. aureus which may causes skin disease.

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