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Multi-Model Environment as a Rational Approach
for Drug Design: An Experience with CP-MLR
--Shreekant Deshpande,
--Manish Kumar Gupta,
--Yenamandra S Prabhakar
In isolation, a data point is only a qualified number. A collection of such qualified numbers makes a variable
or descriptor. When dealing with large number of descriptors in the modeling studies for the optimum
utilization of contents of the generated datasets, it is necessary to identify different models as well as Information
Rich Descriptors (IRDs) corresponding to the phenomenon under investigation. Moreover, in modeling
studies, each model may address different substructural regions and attributes in the predictive and diagnostic aspects
of the chosen phenomenon. A study of the population of such models provides the scope to understand
the diagnostic aspects of different substructural regions and to average and extrapolate the predictive aspect
beyond the individual models. Combinatorial Protocol in Multiple Linear Regression (CP-MLR) is a variable
selection approach and generates multiple models to address the structure-activity relations in terms of different
substructural regions and attributes in predicting the activity. The working details of CP-MLR procedure and diverse
QSAR/QSPR relations derived using this approach are reviewed.
© 2010 IUP. All Rights Reserved.
Spectrophotometric Determination of Ziparsidone
Hydrochloride (Zpd) Using Various
Chromogenic Reagents
--V Annapurna,
--G Jyothi,
--A V Subbayamma,
--B B V Sailaja
Oxidation and coupling products of various chromogenic reagents were utilized to establish a
spectrophotometric method for the assay of ziparsidone. Method A involves the oxidative coupling of the ziparsidone
hydrochloride (ZPD) with 3-methyl-2-benzathiazolinone hydrazone (MBTH) reagent. Method B includes the oxidative
coupling reaction with 4-amino phenazone (4-AP). Oxidation of ZPD with Fe(III), followed by complexation of
Fe(II) with 1,10 phenanthroline (1,10PHEN) is proposed in Method C. Regression analysis using the method of
least squares was made to evaluate the slope
(b), intercept (a) and correlation coefficient
(r) and standard error of estimation (SE) for each system. Determination of ZPD in bulk form and in pharmaceutical formulations
was also incorporated.
© 2010 IUP. All Rights Reserved.
Efficient Acylation and Benzoylation of Alcohols
and Phenols Using Cobalt Nitrate Under
Solvent-Free Condition
--Vishvanath D Patil, --Priyanka Rege,
--Jaymala Patil, --Ganesh Dere
Cobalt nitrate efficiently catalyzes acylation and benzoylation of alcohols and phenols with
stoichiometric amount of acetyl chloride and benzoyl chloride under solvent-free conditions and at room temperature.
The remarkable selectivity under mild and neutral conditions, short reaction time, reusability, commercial
availability and inexpensive catalyst are the advantages.
© 2010 IUP. All Rights Reserved.
Proton Exchange Membrane (PEM) in Fuel Cells:
A Review
--Deepti Gautam,
--Sadiya Anjum,
--Saiqa Ikram
The present compilation describes the Proton Exchange
Membranes or Polymer Electrolyte Membranes (PEMs) that are both under development and commercialized for Direct Methanol Fuel Cells (DMFCs).
It also outlines the classification of various fuel cells and the proton exchange membranes through
perfluorinated membranes, perfluorinated composite membranes, partially fluorinated membranes,
non-fluorinated membranes and non-fluorinated composite membranes. Among all the classified
membranes, the perfluorinated membranes are found to be having exceptional properties. The membranes which
have been developed till date for commercial purposes, the perfluorinated membranes show complete
ascendancy for DMFC, although each membrane has its own pros and cons. As no single membrane has emerged with
the best qualities, this review illustrates the prospects of the currently known membranes for DMFC with
respect to their characteristics and properties. The performances of the membranes are estimated based on
their properties like thermal resistance, proton conductivity, methanol crossover, and the ability to retain in
the fuel cell. This review highlights that hydrocarbon and composite membranes are found to be low cost
membranes with low methanol crossover, high durability and their efficiency, which influence the fuel cell
commercial market.
© 2010 IUP. All Rights Reserved.
Infrared Spectral Linearity of Some Anti-Plasmoidal Potent Chalcones
--R Arulkumaran,
--R Sundararajan,
--G Vanangamudi,
--M Subramanian, --K Ravi,
--V Sathiyendiran, --S Srinivasan and --G Thirunarayanan
Three series of styryl aryl ketones (E-2-propen-1-ones) are synthesized by solvent free method carried out
by grinding the benzaldehydes and the aryl methyl ketones in the presence of solid sodium hydroxide. They
are characterized by physical constants and spectral data. From infrared spectral data, the deformation modes of
C-H in-plane/out-of-plane, -CH=CH- and >C=C<
out-of-plane of the vinyl parts are assigned. With the help
of regression analysis, the deformation modes have been correlated with Hammett substituent constants. From
the results of statistical analysis the effects of substituent on the above deformation modes have been explained.
The anti-plasmoidal potential is evaluated for the synthesized chalcones.
© 2010 IUP. All Rights Reserved.
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