Empirical prediction of peptide octanol-water partition coefficients

Peptides are of great therapeutic potential as vaccines and drugs. Knowledge of physicochemical descriptors, including the partition coefficient P (commonly expressed in logarithm form: logP), is useful for screening out unsuitable molecules and also for the development of predictive Quantitative Structure-Activity Relationships (QSARs). In this paper we develop a new approach to the prediction of LogP values for peptides based on an empirical relationship between global molecular properties and measured physical properties. Our method was successful in terms of peptide prediction (total r2 = 0.641). The final model consisted of 5 physicochemical descriptors (molecular weight, number of single bonds, 2D-VDW volume, 2D-VSA hydrophobic and 2D-VSA polar). The approach is peptide specific and its predictive accuracy was high. Overall, 67% of the peptides were able to be predicted within +/-0.5 log units from the experimental values. Our method thus represents a novel prediction method with proven predictive ability.

Quadratic behavior of fiber Bragg grating temperature coefficients

We describe the characterization of the temperature and strain responses of fiber Bragg grating sensors by use of an interferometric interrogation technique to provide an absolute measurement of the grating wavelength. The fiber Bragg grating temperature response was found to be nonlinear over the temperature range -70°C to 80°C. The nonlinearity was observed to be a quadratic function of temperature, arising from the linear dependence on temperature of the thermo-optic coefficient of silica glass over this range, and is in good agreement with a theoretical model.

Fiber grating type dependence of temperature and strain coefficients and application to simultaneous temperature and strain measurement

Although fiber Bragg gratings (FBGs) have been widely used as advanced optical sensors, the cross-sensitivity between temperature and strain has complicated independent measurement procedures for these two measurands. We report here, for the first time to our knowledge, the results of a systematic investigation of the dependence of both temperature and strain sensitivities on the grating type, including the well-known Type I, Type IIA, and a new type which we have designated Type IA, using both hydrogen-free and hydrogenated B/Ge codoped fibers. We have identified distinct sensitivity characteristics for each grating type, and we have utilised them to implement a novel dual-grating, dual-parameter sensor device with performance superior to that of previously reported grating-based structures.

Quadratic behaviour of fibre Bragg grating temperature coefficients

We describe the characterization of the temperature and strain responses of fiber Bragg grating sensors by use of an interferometric interrogation technique to provide an absolute measurement of the grating wavelength. The fiber Bragg grating temperature response was found to be nonlinear over the temperature range -70 °C to 80 °C. The nonlinearity was observed to be a quadratic function of temperature, arising from the linear dependence on temperature of the thermo-optic coefficient of silica glass over this range, and is in good agreement with a theoretical model.

The Localization Procedures of the Vector of Weighting Coefficients for Fuzzy Models of Choice

The author analyzes the localization procedures of the vector of weighting coefficients which are based on presenting the function of value by additive reduction adapted to fuzzy models of choice.

Null Condition for Semilinear Wave Equation with Variable Coefficients

∗The author was partially supported by M.U.R.S.T. Progr. Nazionale “Problemi Non Lineari...”

The Localization Procedures of the Vector of Weighting Coefficients on the Set of Teaching Experts in the Tasks of Consuming

In terms of binary relations the author analyses the task of an individual consumers’ choice on the teaching excerpts set. It is suggested to analyse the function of consumer’s value as additive reduction. For localization of the vector of weighting coefficients of additive reduction the procedures based on metrics of object distance towards the ideal point are suggested.

Rolle's Theorem for Complex Polynomials with Real Coefficients

Let p(z) be an algebraic polynomial of degree n ¸ 2 with real coefficients and p(i) = p(¡i). According to Grace-Heawood Theorem, at least one zero of the derivative p0(z) is on the disk with center in the origin and radius cot(¼=n). In this paper is found the smallest domain containing at leas one zero of the derivative p0(z).

Some Notes about a Class of Univalent Functions with Negative Coefficients

MSC 2010: 30C45, 30C50

A Note on Univalent Functions with Finitely many Coefficients

MSC 2010: 30C45

Application of Salagean and Ruscheweyh Operators on Univalent Holomorphic Functions with Finitely many Coefficients

MSC 2010: 30C45, 30C50

On a Class of Univalent Functions with Negative Coefficients

Донка Пашкулева - Предмет на тази статия е получаването на точни оценки за коефициентите и ръста на функциите за някои класове еднолистни функции с отрицателни коефициенти.

Operators with Polynomial Coefficients and Generalized Gelfand-Shilov Classes

2010 Mathematics Subject Classification: Primary 35S05, 35J60; Secondary 35A20, 35B08, 35B40.

Joint Densities of Correlation Coefficients for Samples from Multivariate Standard Normal Distribution

2000 Mathematics Subject Classification: 62H10.