@article { ISI:000274954400005,
	title = {Gas-phase oxidant-free oxidation of cyclohexanol over V2O5-MoO3-M2O (M = Na, K, Cs) catalysts},
	journal = {Indian Journal of Chemical Technology},
	volume = {17},
	number = {1},
	year = {2010},
	month = {JAN},
	pages = {43-49},
	publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR},
	address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA},
	abstract = {<p>Oxidant-free oxidation (dehydrogenation) of cyclohexanol is carried out in a down-flow integral laboratory scale reactor using different alkali doped catalysts. The effect of reaction temperature, contact time (W/F) and doping of alkali metals is studied to check its effect on nature of prominent products of the reaction (cyclohexanone and cyclohexene). At lower temperature the cyclohexanone prevails whereas at higher temperature cyclohexene is observed in prominence. Acid-modified catalysts (with boron and phosphorous) facilitated cyclohexene selectivity whereas alkali modified catalysts facilitated cyclohexanone selectivity. Calcination of sodium modified catalyst at different temperatures under static condition affect characteristic phase intensity and cyclohexanone selectivity. XRD investigation showed formation of different inorganic phases as the characteristic of dopant. Cesium modified catalyst showed better dehydrogenation activity.</p>},
	keywords = {Cyclohexanol, dehydration, Dehydrogenation, Electronegativity, V2O5-MoO3},
	issn = {0971-457X},
	author = {Vyawahare, Y. K. and Chumbhale, Vilas R. and Pardhy, S. A. and Samuel, V. and Aswar, A. S.}
}
@article {47713,
	title = {On the use of electronegativity and electron affinity based pseudo-molecular field descriptors in developing correlations for quantitative structure-activity relationship modeling of drug activities},
	journal = {Chemical Biology \& Drug Design},
	volume = {98},
	year = {2021},
	month = {AUG},
	pages = {258-269},
	type = {Article},
	abstract = {For quantitative structure-activity relationship (QSAR) modeling in ligand-based drug discovery programs, pseudo-molecular field (PMF) descriptors using intrinsic atomic properties, namely, electronegativity and electron affinity are studied. In combination with partial least squares analysis and Procrustes transformation, these PMF descriptors were employed successfully to develop correlations that predict the activities of target protein inhibitors involved in various diseases (cancer, neurodegenerative disorders, HIV, and malaria). The results show that the present QSAR approach is competitive to existing QSAR models. In order to demonstrate the use of this algorithm, we present results of screening naturally occurring molecules with unknown bioactivities. The pIC(50) predictions can screen molecules that have desirable activity before assessment by docking studies.},
	keywords = {drug discovery, electron affinity, Electronegativity, molecular field descriptors, partial least squares, QSAR},
	issn = {1747-0277},
	doi = {10.1111/cbdd.13895},
	author = {Kunde, Pushkar D. and Ramkumar, Sudha and Kamble, Sanjay P. and RaviKumar, Ameeta and Kulkarni, Bhaskar D. and Kumar, V. Ravi}
}
