Giovanni Nastasi

Bio: Giovanni Nastasi is an academic researcher from University of Catania. The author has contributed to research in topics: Graphene & Charge (physics). The author has an hindex of 9, co-authored 23 publications receiving 221 citations.

Heme Oxygenase Database (HemeOxDB) and QSAR Analysis of Isoform 1 Inhibitors.

Abstract: Due to increasing interest in the field of heme oxygenases (HOs), we built a ligand database called HemeOxDB that includes the entire set of known HO-1 and HO-2 inhibitors, resulting in more than 400 compounds. The HemeOxDB is available online at http://www.researchdsf.unict.it/hemeoxdb/, and having a robust search engine allows end users to build complex queries, sort tabulated results, and generate color-coded two- and three-dimensional graphs. This database will grow to be a tool for the design of potent and selective HO-1 or HO-2 inhibitors. We were also interested in virtually searching for alternative inhibitors, and, for the first time in the field of HOs, a quantitative structure-activity relationship (QSAR) model was built using half-maximal inhibitory concentration (IC50 ) values of the whole set of known HO-1 inhibitors, taken from the HemeOxDB and employing the Monte Carlo technique. The statistical quality suggested that the model is robust and possesses desirable predictive potential. The screening of US Food and Drug Administration (FDA)-approved drugs, external to our dataset, suggested new predicted inhibitors, opening the way for replacing imidazole groups. The HemeOxDB and the QSAR model reported herein may help in prospectively identifying or repurposing new drugs with optimal structural attributes for HO enzyme inhibition.

S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands.

Abstract: Sigma (σ) receptors are accepted as a particular receptor class consisting of two subtypes: sigma-1 (σ1) and sigma-2 (σ2). The two receptor subtypes have specific drug actions, pharmacological profiles and molecular characteristics. The σ2 receptor is overexpressed in several tumor cell lines, and its ligands are currently under investigation for their role in tumor diagnosis and treatment. The σ2 receptor structure has not been disclosed, and researchers rely on σ2 receptor radioligand binding assay to understand the receptor’s pharmacological behavior and design new lead compounds. Here we present the sigma-2 Receptor Selective Ligands Database (S2RSLDB) a manually curated database of the σ2 receptor selective ligands containing more than 650 compounds. The database is built with chemical structure information, radioligand binding affinity data, computed physicochemical properties, and experimental radioligand binding procedures. The S2RSLDB is freely available online without account login and having a powerful search engine the user may build complex queries, sort tabulated results, generate color coded 2D and 3D graphs and download the data for additional screening. The collection here reported is extremely useful for the development of new ligands endowed of σ2 receptor affinity, selectivity, and appropriate physicochemical properties. The database will be updated yearly and in the near future, an online submission form will be available to help with keeping the database widely spread in the research community and continually updated. The database is available at http://www.researchdsf.unict.it/S2RSLDB .

The Monte Carlo method for semiconductor device simulation

Abstract: There can be little doubt that the Monte Carlo method for semiconductor device simulation has enormous power as a research tool. It represents a detailed physical model of the semiconductor material(s), and provides a high degree of insight into the microscopic transport processes. However, if the authority ascribed to Monte Carlo models of devices at 1/spl mu/m feature size is to be maintained for devices below O.1/spl mu/m, modelling of the fundamental physics must be further improved. And if the Monte Carlo method is to be successful as a semiconductor device design tool, the device model must be made more realistic. Success in the industrial sector depends on this, but also on achieving fast run-times optimisation - where the scope and need for ingenuity is now greatest.

Real and Complex Analysis. By W. Rudin. Pp. 412. 84s. 1966. (McGraw-Hill, New York.)

Abstract: Preface Prologue: The Exponential Function Chapter 1: Abstract Integration Set-theoretic notations and terminology The concept of measurability Simple functions Elementary properties of measures Arithmetic in [0, ] Integration of positive functions Integration of complex functions The role played by sets of measure zero Exercises Chapter 2: Positive Borel Measures Vector spaces Topological preliminaries The Riesz representation theorem Regularity properties of Borel measures Lebesgue measure Continuity properties of measurable functions Exercises Chapter 3: Lp-Spaces Convex functions and inequalities The Lp-spaces Approximation by continuous functions Exercises Chapter 4: Elementary Hilbert Space Theory Inner products and linear functionals Orthonormal sets Trigonometric series Exercises Chapter 5: Examples of Banach Space Techniques Banach spaces Consequences of Baire's theorem Fourier series of continuous functions Fourier coefficients of L1-functions The Hahn-Banach theorem An abstract approach to the Poisson integral Exercises Chapter 6: Complex Measures Total variation Absolute continuity Consequences of the Radon-Nikodym theorem Bounded linear functionals on Lp The Riesz representation theorem Exercises Chapter 7: Differentiation Derivatives of measures The fundamental theorem of Calculus Differentiable transformations Exercises Chapter 8: Integration on Product Spaces Measurability on cartesian products Product measures The Fubini theorem Completion of product measures Convolutions Distribution functions Exercises Chapter 9: Fourier Transforms Formal properties The inversion theorem The Plancherel theorem The Banach algebra L1 Exercises Chapter 10: Elementary Properties of Holomorphic Functions Complex differentiation Integration over paths The local Cauchy theorem The power series representation The open mapping theorem The global Cauchy theorem The calculus of residues Exercises Chapter 11: Harmonic Functions The Cauchy-Riemann equations The Poisson integral The mean value property Boundary behavior of Poisson integrals Representation theorems Exercises Chapter 12: The Maximum Modulus Principle Introduction The Schwarz lemma The Phragmen-Lindelof method An interpolation theorem A converse of the maximum modulus theorem Exercises Chapter 13: Approximation by Rational Functions Preparation Runge's theorem The Mittag-Leffler theorem Simply connected regions Exercises Chapter 14: Conformal Mapping Preservation of angles Linear fractional transformations Normal families The Riemann mapping theorem The class L Continuity at the boundary Conformal mapping of an annulus Exercises Chapter 15: Zeros of Holomorphic Functions Infinite Products The Weierstrass factorization theorem An interpolation problem Jensen's formula Blaschke products The Muntz-Szas theorem Exercises Chapter 16: Analytic Continuation Regular points and singular points Continuation along curves The monodromy theorem Construction of a modular function The Picard theorem Exercises Chapter 17: Hp-Spaces Subharmonic functions The spaces Hp and N The theorem of F. and M. Riesz Factorization theorems The shift operator Conjugate functions Exercises Chapter 18: Elementary Theory of Banach Algebras Introduction The invertible elements Ideals and homomorphisms Applications Exercises Chapter 19: Holomorphic Fourier Transforms Introduction Two theorems of Paley and Wiener Quasi-analytic classes The Denjoy-Carleman theorem Exercises Chapter 20: Uniform Approximation by Polynomials Introduction Some lemmas Mergelyan's theorem Exercises Appendix: Hausdorff's Maximality Theorem Notes and Comments Bibliography List of Special Symbols Index

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models.

Abstract: Quantitative structure–activity relationships (QSAR) modeling is a well-known computational technique with wide applications in fields such as drug design, toxicity predictions, nanomaterials, etc. However, QSAR researchers still face certain problems to develop robust classification-based QSAR models, especially while handling response data pertaining to diverse experimental and/or theoretical conditions. In the present work, we have developed an open source standalone software “QSAR-Co” (available to download at https://sites.google.com/view/qsar-co) to setup classification-based QSAR models that allow mining the response data coming from multiple conditions. The software comprises two modules: (1) the Model development module and (2) the Screen/Predict module. This user-friendly software provides several functionalities required for developing a robust multitasking or multitarget classification-based QSAR model using linear discriminant analysis or random forest techniques, with appropriate validation,...