Deleshwar Kumar

This experimental research explores the therapeutic value of a new dual-target central nervous system (CNS) drug that concurrently regulates GABAergic and glutamatergic systems to treat  co-occurring  cognitive  impairment  and  anxiety  symptoms.  Performed  on  thirty  adults  male  Wistar  rats,  the  study  utilized  proven  behavioural  paradigms  Elevated  Plus  Maze  (EPM)   for anxiety   and   Morris  Water   Maze   (MWM)   for   spatial   learning   along   with    post-mortem biochemical assays to examine acetylcholinesterase (AChE) activity and markers of  oxidative stress  like  malondialdehyde  (MDA)  and  superoxide  dismutase  (SOD).  Results   indicated significant, dose-dependent enhancements: high-dose treatment groups demonstrated increased open-arm  exploration  in  EPM  and  reduced  escape  latencies  with  more  time  spent   in  target quadrants  in  MWM,  indicating  anxiolytic  and  cognitive-enhancing  effects.   Biochemically,  a significant decrease in AChE and MDA levels and increased SOD activity validated  enhanced cholinergic transmission and antioxidant defense. One-way ANOVA validated these results with high statistical significance (p

Quantum chemistry is critical in the explanation of molecular structures, spectroscopy, and chemical reactivity through the application of quantum mechanical principles to chemical systems. This review talks about how quantum chemistry is used in different types of molecular spectroscopy, like UV-Vis, infrared (IR), Raman, and nuclear magnetic resonance (NMR) spectroscopy, where quantum calculations help predict changes in electrons, vibrations, and spin interactions. Also, the research considers quantum chemistry's role in chemical reactivity by charting possible energy surfaces (PES), locating transition states, and minimizing reaction paths with computational techniques such as Density Functional Theory (DFT), ab initio methodologies, and Quantum Molecular Dynamics (QMD). The marriage of quantum chemistry and experimental methodologies has greatly facilitated drug discovery research, catalysis research, and materials science research to the extent that innovations in energy storage and sustainable chemistry have emerged. Despite the achievements, challenges in the form of computational expense, accuracy limitations of electron correlation models, and improvement of hybrid functionals persist. Improving computational efficiency, integrating quantum chemistry with machine learning, and further development of its applications in quantum computing for more accurate predictive modelling are some directions that future research must pursue. This review emphasizes the revolutionary effect of quantum chemistry on contemporary scientific achievements and its future scope in spectroscopic studies and reactivity research.

Itraconazole is a potent antifungal agent, which has poor solubility and high first-pass metabolism, thus limiting its oral bioavailability. The present research work focuses on the enhancement of itraconazole's bioavailability through the formulation and evaluation of a nanoemulsion. A nanoemulsion was prepared with the help of Tween 80, medium-chain triglycerides, and propylene glycol. It was ensured the stability of the drug was ensured through mean particle size, 180 nm, polydispersity index of 0.15, and zeta potential of -22.4 mV. In vitro drug release experiments showed that the amount released was 88% within 4 hours, which is significantly higher compared to the output from the basic suspension with around 50% release. The ex vivo permeation experiments showed improvement in the drug permeability, sixfold. Pharmacokinetic studies in rats demonstrated high values of the obtained peak concentrations C_max of 25.4 μg/ml, and AUC_0-∞ of 110.2 μg·hr/ml. Stability studies from three months' duration showed a broader durability of the formulation. Noticeably, the outcome is a novel agent in this clinical environment that can increase oral bioavailability and simultaneously enhance drug activity.