Molar refractivity of diverse functional acyclic compounds (n = 166) has been correlated with first order TAU indices to unravel the diagnostic feature of the TAU scheme. It has been found that TAU relations could satisfactorily explain the variances of the molar refractivity values of diverse functional compounds (up to 98.6% predicted variance and explained variance for the composite set of 1...

QSAR models of 22 benzamidine derivatives reported as inhibitors of thrombin have been developed using the descriptors heat of formation, valence connectivity index, shape index, solvent accessibility surface area, molar refractivity, log P and molecular weight. QSAR models, in which either heat of formation or shape index or molar refractivity is present, have good predictive powers as correla...

Refractive indices of various H(2)SO(4)-H(2)O, HNO(3)-H(2)O, and H(2)SO(4)-HNO(3)-H(2)O solutions were measured at four wavelengths in the visible (351.0, 533.5, 632.9, and 782.6 nm) over a temperature range from 30 to -60 degrees C. The temperature dependence has been determined for the first time to the authors' knowledge. This dependence is of importance for applications to atmospheric aeros...

Purpose. In this work, a novel descriptor of atoms in molecules is introduced. The Refractotopological State Index for atoms (R-state,R ), rectifies the atomic refractivity values reported by Crippen et al with the atomic refractivity values of the topological environment of each skeletal atom in the molecule. Method. The R-state (R i), for atom i is an hybrid index that is defined as the intri...

In our previous papers we described the ability of methylxanthine pentoxifylline (PTX) to depress the P-glycoprotein (P-gp) mediated multidrug resistance (MDR) of the mouse leukemic cell line L1210/VCR. Other methylxanthines like caffeine and theophylline were found to be ineffective in this respect. In the present paper we have analysed the capability of 25 methylxanthines to depress MDR of L1...

Immunomodulation is the process of alteration in immune response due to foreign intrusion of molecules inside the body. Along with the available drugs, a large number of herbal drugs are promoted in traditional Indian treatments, for their immunomodulating activity. Natural coumarinolignoids isolated from the seeds of Cleome viscose have been recognized as having hepatoprotective action and hav...

The results of studying the physical properties a deep eutectic solvent based on choline chloride and sulfosalicylic acid have been presented. A phase diagram for this two-component mixture has constructed, dependences its density refractive index temperature studied first time. molar refractivity under study calculated. possibility using as an extractant recovery metal ions in solid–liquid sys...

In the present study quantitative structure activity relationship studies were performed on a series of N-{(1H-Benzo[d] Imidazol-1-yl) (Phenyl) Methylene} Benzenamine analogues as antifungal activity using Chem Office ultra 8.0.3. Multiple linear regression analysis was performed to derive quantitative structure activity relationship models which were further evaluated internally as well as ext...

We present a new atom type classification system for use in atom-based calculation of partition coefficient (log P) and molar refractivity (MR) designed in part to address published concerns of previous atomic methods. The 68 atomic contributions to log P have been determined by fitting an extensive training set of 9920 molecules, with r2 ) 0.918 and σ ) 0.677. A separate set of 3412 molecules ...

Knowledge of the refractivity index in the lower atmosphere is very important in the design, transmission and performance analysis of line-of-sight (LOS) terrestrial links. In oceanic environments, radio wave propagation is affected by the high variability with space and time of the meteorological parameters. Radiosonde data have been used in the analysis of the effect of climatic conditions in...