部分滑移边界条件下自由液面流动问题研究

数值方法进行相关问题的研究就以圆柱形储液罐为例, 考虑部分滑移边界条件, 对所得的高 度非线性微分方程进行了数值求解, 讨论了贮液腔体内液面接触线和液体高度线, 及部分滑 移条件对流体层微观半径的影响; 所得结论对自由液面晃动问题数值研究中的边界条件处理 有参考意义.     

Synthesis of 2[(1R,2R)-2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-yl)propyl]-4-[4-tetrafluoropropoxy)phenyl]-3-(2H,4H)-1,2,4-triazol-3-thione—A Novel and Potent Azole Antifungal Agent

A simple approach involving refluxing appropriately disubstituted thiosemicarbazide 8 in presence of formic acid for the synthesis of 1, a potent azole antifungal agent, has been described.     

Effect of Medium Acidity and Photostability of 3‐(4‐Dimethylamino‐phenyl)‐1‐(2,5‐dimethyl‐thiophen‐3‐yl)‐propenone (DDTP): A New Green Emitting Laser Dye

On the line of a previous work on the spectral properties of some of heteroaryl chalcone, the effect of medium acidity and photoreactivity of 3‐(4‐dimethylamino‐phenyl)‐1‐(2,5‐dimethyl‐thiophen‐3‐yl)‐propenone (DDTP) has been investigated in dimethylformamide and in chloromethane solvents such as methylenechloride, chloroform and carbon tetrachloride. The dye solution (ca. 5×10⁻⁴ mol·L⁻¹ in DMF) gives a good laser emission in the range 470–560 nm with emission maximum at 515 nm upon pumping by nitrogen laser (λ_ex=337.1 nm). The laser parameters such as gain coefficient (α), emission cross section (δ_e) and half life energy (E_1/2) at maximum laser emission are also determined.     

Biaryl scaffold-focused virtual screening for anti-aggregatory and neuroprotective effects in Alzheimer’s disease

Background

Alzheimer’s disease (AD) is a primary cause of dementia in ageing population affecting more than 35 million people around the globe. It is a chronic neurodegenerative disease caused by defected folding and aggregation of amyloid beta (Aβ) protein. Aβ is formed by the cleavage of membrane embedded amyloid precursor protein (APP) by using enzyme ‘transmembrane aspartyl protease, β-secretase’. Inhibition of β-secretase is a viable strategy to prevent neurotoxicity in AD. Another strategy in the treatment of AD is inhibition of acetylcholinesterase. This inhibition reduces the degradation of acetylcholine and temporarily restores the cholinergic function of neurons and improves cognitive function. Monoamine oxidase and higher glutamate levels are also found to be linked with Aβ peptide related oxidative stress. Oxidative stress leads to reduced activity of glutamate synthase resulting in significantly higher level of glutamate in brain. The aim of this study is to perform in silico screening of a virtual library of biaryl scaffold containing compounds potentially used for the treatment of AD. Screening was done against the primary targets of AD therapeutics, acetylcholinesterase, β-secretase (BACE1), Monoamine oxidases (MAO) and N-Methyl-D-aspartate (NMDA) receptor. Compounds were screened for their inhibitory potential by employing molecular docking approach using AutoDock vina. Binding energy scores were embodied in the heatmap to display varies strengths of interactions of the ligands targeting AD.

Results

Several ligands showed notable interaction with at least two targets, but the strong interaction with all the targets is shown by very few ligands. The pharmacokinetics of the interacting ligands was also predicted. The interacting ligands have good drug-likeness and brain availability essential for drugs with intracranial targets.

Conclusion

These results suggest that biaryl scaffold may be pliable to drug development for neuroprotection in AD and that the synthesis of further analogues to optimize these properties should be considered.

     

Application of the green analytical procedure index to the simultaneous analysis of co-formulated tinidazole and ciprofloxacin in pure form,tablet dosage form,and human plasma using an environmentally friendly micellar high-performance thin-layer chromatographic technology

JPC – Journal of Planar Chromatography – Modern TLC - In individuals with chronic refractory pouchitis and other gastrointestinal disorders, the combination of ciprofloxacin (CIP) and...     

A Personnel Selection Problem in Healthcare System Using Fuzzy-TOPSIS Approach

The methods of multiple criteria decision-making (MCDM) are increasingly becoming the most desired tools for making daily decisions in various fields of human endeavors. Staff employment in any sector requires a thorough evaluation of the applicant before selection to ensure effective and efficient service delivery. Besides, healthcare is one of the most complicated organizations dealing with human lives. This paper has developed a staff selection model considering a fuzzy environment by using the technique for order preference similar to the ideal solution (TOPSIS) method. For the delivery and promotion of quality healthcare systems, medical staff selection is crucial to the system. Therefore, the study evaluates medical staff by using the expert''s linguistic judgement under the criteria of skill, experience and ability to respond to a problem. The expert''s vagueness in judgments has been represented by using fuzzy triangular numbers. The study determines the closeness coefficient, the measures of separation and the ideal solutions of the TOPSIS method. The most appropriate medical staff are ranked and selected based on the available criteria. The Fuzzy-TOPSIS method is simple and can help other organizations achieve proper ranking, evaluation and selection of qualified candidates, as it takes imprecise information into account.     

Electrochemical Gold-Catalyzed 1,2-Difunctionalization of C−C Multiple Bonds**

Herein, we disclose the first report of 1,2-difunctionalization of C−C multiple bonds using electrochemical gold redox catalysis. By adopting the electrochemical strategy, the inherent π-activation and cross-coupling reactivity of gold catalysis are harnessed to develop the oxy-alkynylation of allenoates under external-oxidant-free conditions. Detailed mechanistic investigations such as ³¹P NMR, control experiments, mass studies, and cyclic voltammetric (CV) analysis have been performed to support the proposed reaction mechanism.