Pseudomonas putida strain DOT-T1E is highly tolerant to organic solvents, with a logP(ow) (the logarithm of the partition coefficient of a solvent in a two-phase water-octanol system of > or =2.5. Solvent tolerant microorganisms can be exploited to develop double-phase (organic solvent and water) biotransformation systems in which toxic substrates or products are kept in the organic phase. We t...

Performance modeling is important for implementing efficient parallel applications and runtime systems. The LogP model captures the relevant aspects of message passing in distributed-memory architectures. In this paper we describe an efficient method that measures LogP parameters for a given message passing platform. Measurements are performed for messages of different sizes, as covered by the ...

We investigate the issue of stalling in the LogP model. In particular, we introduce a novel quantitative characterization of stalling, referred to as δ-stalling, which intuitively captures the realistic assumption that once the network’s capacity constraint is violated, it takes some time (at most δ) for this information to propagate to the processors involved. We prove a lower bound that shows...

ion for algorithm design and programming, while LogP provides better control of machine resources. Comparisons and evaluations between the two models have been made in [29,62,104]. In [29], a variant of LogP that disallows the so-called stalling behavior is considered. The authors create cross simulations between the two models showing their equivalence in algorithmic design when using asymptot...

Cyclo-oxygenase 2 (COX2) inhibiting drugs were subjected to comparative quantitative structure activity relationship (QSAR) analysis with an attempt to derive and to understand the relationship between the biological activity and molecular descriptors by multiple regression analysis. The different drugs that inhibit cyclo-oxygenase 2 enzyme were compared instead of subjecting one drug and its d...

A liquid chromatography method has been developed and validated for the determination of mathematical models for prediction of the lipophilicity of s-triazine compounds. Correlation between retention factors, RM 0 , of several s-triazine derivatives and their physico-chemical and structural properties has been studied by TLC on silica gel impregnated with paraffin oil. The research in this pape...

In this work we make predictions of several important molecular properties of academic and industrial importance to seek answers to two questions: 1) Can we apply efficient machine learning techniques, using inexpensive descriptors, to predict melting points to a reasonable level of accuracy? 2) Can values of this level of accuracy be usefully applied to predicting aqueous solubility? We presen...

Due to the high mortality rate in India, the identification of novel molecules is important in the development of novel and potent anticancer drugs. Xanthones are natural constituents of plants in the families Bonnetiaceae and Clusiaceae, and comprise oxygenated heterocycles with a variety of biological activities along with an anticancer effect. To explore the anticancer compounds from xanthon...

The role of hydrogen bond acidity, i.e., the ability of chemicals to act as hydrogen bond donors (HBD), is a crucial element in pharmaceutical sciences and medicinal chemistry. It has been shown that the difference between logP values (ΔlogP) obtained in two different biphasic systems is informative of the solutes HBD properties and thus useful in the prediction of drugs human fate. In this stu...

We present an analysis of the period-V -amplitude plane for RR0 Lyrae stars (fundamental mode pulsators) with “normal” light curves in the bulge using the MACHO bulge fields. Although bulge globular clusters have RR Lyraes that divide into two reasonable distinct groups according to the average period of the RR0 Lyraes (Oosterhoff 1939), there is no evidence of a gap between Oosterhoff I and II...