Evidence Based Study of Surasadi Gana on Respiratory Disorders: A Review

Introduction: Collection of medicinal herbs having similar effect are collectively known as Gana (group) in Samhita and Vargas (category) in Nighantu. Surasadi Gana is included in 37 of such groups mentioned in Sushruta Samhita, with 21 Herbs completing the group. This article is made in a view to review the importance and utility of few herbs included in Surasadi Gana indicated for the management of respiratory disorders. Material and Methods: The literature regarding the drugs mentioned in the group, collected from different Ayurveda classics. Research papers are compiled from published sources and discussed in light of therapeutic effects. Observation and Result: Maximum of the herbs in this group are having properties as Katu rasa (pungent) and Ushna veerya (hot potency). Such herbs are predominantly advised in Kapha (phlegm humour) dominant diseases, viz. Kasa (cough), Shwasa (asthma), Pratishyaya (common cold), Kushtha (skin disorders), Krimi (worm infestation) and Vrana (wound). Conclusion: The herbs, despite having several Ayurvedic indications, the respiratory tract is the focus of the specific activity

Structure, chemical reactivity, NBO, MEP analysis and thermodynamic parameters of pentamethyl benzene using DFT study

This study explores the structural, molecular and electronic properties of the pentamethyl benzene (PMB) using quantum chemical calculations employing DFT/ B3LYP/6–311++G(d,p) level of theory. Structural parameters, HOMO-LUMO energies, chemical reactivity descriptors and molecular electrostatic potential (MEP) were evaluated from the optimized molecular geometry. The computed small band gap energy, correlated with the UV–visible spectrum, demonstrates that the test molecule has good biological activity. NLO activity of the molecule was also studied by evaluating dipole moment and first order hyperpolarizability values. Intra-molecular charge transfer, donor-acceptor transitions and stabilizations energies were determined from the analyses of natural bond orbital (NBO) and natural population. 1H and 13C chemical shifts were computed from the simulated NMR spectrum following GIAO approach in DMSO‑d6 solvent at the same level of DFT. Furthermore, thermodynamic parameters and rotational constants were also calculated for this molecule

VIBRATIONAL ANALYSIS AND VALENCE FORCE FIELD FOR NITROTOLUENES, DIMETHYLANILINES AND SOME SUBSTITUTED METHYLBENZENES

Author Institution: Department of Physics, Kakatiya University, Warangal-506 009, A.P., India Email: [email protected]; Department of Physics, Government Degree College, Mancherial-504 208, A.P., India; Department of Physics, Varada Reddy College of Engineering, Ananthasagar, Warangal-506 371, A.P.,IndiaThe Fourier transform infrared (FTIR) and Raman spectra of 2-amino-4-nitro-toluene; 2-amino-5-nitrotoluene; 2,4-dimethylaniline; 2,5-dimethylaniline; 2,6-dimethylaniline; 1,2,4-trimethylbenzene; 1,3,5-trimethylbenzene and pentamethyl-benzene have been recorded in the range 4000-400 $cm^{-1}$ and 4000-30 $cm^{-1}$, respectively. A normal coordinate analysis was carried out for both in-plane and out-of-plane vibrations of these molecules using an 81-parameter modified valence force field. The force constants were refined using 251 frequencies of eight molecules in the Overlay least-square technique. The reliability of force constants was tested by making zero-order calculations for both in-plane and out-of plane vibrations for five related molecules. The potential energy distribution (PED) and eigen vectors calculated in the process were used to make unambiguous vibrational assignment of all the fundamentals