The experimental and theoretical spectroscopic elucidation of molecular structure, electronic properties, thermal analysis, biological evaluation, and molecular …
Experimental techniques, such as vibrational spectroscopy (FT-IR and FT-Raman), UV–
visible, thermal analysis (DSC), along with quantum chemical calculations based on density …
visible, thermal analysis (DSC), along with quantum chemical calculations based on density …
Molecular structure and quantum descriptors of cefradine by using vibrational spectroscopy (IR and Raman), NBO, AIM, chemical reactivity and molecular docking
This study aims to investigate the structural and vibrational features of cefradine (the first-
generation cephalosporin antibiotic) based on spectroscopic experiments and theoretical …
generation cephalosporin antibiotic) based on spectroscopic experiments and theoretical …
Unravelling the bio-molecular interaction of plant alkaloid Harmane with CT and HT DNA: A bioinformatics outlook
Harmane (HR), a bioactive phytochemical, derived from the plant, Peganum harmala, has
shown many important pharmacological activities. It is one of the essential traditional …
shown many important pharmacological activities. It is one of the essential traditional …
Molecular structure, homo-lumo and vibrational analysis of ergoline by density functional theory
In this work, quantum chemical study on a natural product ergoline has been presented
using density functional theory (DFT) employing 6-311++ G (d, p) basis set. A complete …
using density functional theory (DFT) employing 6-311++ G (d, p) basis set. A complete …
Experimental and theoretical studies on the characterization of monocrotaline by infrared and Raman spectroscopies
The use of plants in folk medicine has a long and ancient history in the treatment of various
diseases. Currently, a large proportion of commercial drugs are based on natural products …
diseases. Currently, a large proportion of commercial drugs are based on natural products …
A combined experimental (IR, Raman and UV–Vis) and quantum chemical study of canadine
Plant based natural products cover a major sector of the medicinal field, as such focus on
plant research has been increased all over the world. As an attempt to aid that research, we …
plant research has been increased all over the world. As an attempt to aid that research, we …
[HTML][HTML] A new method for identification of natural, artificial and in vitro cultured Calculus bovis using high-performance liquid chromatography-mass spectrometry
Y Liu, P Tan, S Liu, H Shi, X Feng… - Pharmacognosy …, 2015 - ncbi.nlm.nih.gov
Objective: Calculus bovis have been widely used in Chinese herbology for the treatment of
hyperpyrexia, convulsions, and epilepsy. Nowadays, due to the limited source and high …
hyperpyrexia, convulsions, and epilepsy. Nowadays, due to the limited source and high …
[PDF][PDF] Chemical reactivity, dipole moment and first hyperpolarizability of aristolochic acid I
BD Joshi - Journal of Institute of Science and Technology, 2016 - academia.edu
Aristolochic acids (AAs) have been used in the treatment of oedema in Chinese herb
medicine since long ago. In this paper, molecular electrostatic potential, chemical reactivity …
medicine since long ago. In this paper, molecular electrostatic potential, chemical reactivity …
[HTML][HTML] Quantum chemical calculations on calcium oxalate and dolichin A and their binding efficacy to lactoferrin: An in silico study using DFT, molecular docking …
Lactoferrin, a member of the transferrin family, is one of the promoter proteins for calcium
oxalate-type kidney stone formation. It exhibits a remarkable ability to interact with metals …
oxalate-type kidney stone formation. It exhibits a remarkable ability to interact with metals …
Specioside (SS) & verminoside (VS)(Iridoid glycosides): isolation, characterization and comparable quantum chemical studies using density functional theory (DFT)
Two biologically important molecules specioside (SS) and verminoside (VS) have been
isolated from the ethanolic extract of stem bark of Kigelia pinnata. We have explored the …
isolated from the ethanolic extract of stem bark of Kigelia pinnata. We have explored the …