Symbolic Mathematical Laboratory

A large computer program has been developed to aid applied mathematicians in the solution of problems in non-numerical analysis which involve tedious manipulations of mathematical expressions. The mathematician uses typed commands and a light pen to direct the computer in the application of mathematical transformations; the intermediate results are displayed in standard text-book format so that the system user can decide the next step in the problem solution. Three problems selected from the literature have been solved to illustrate the use of the system. A detailed analysis of the problems of input, transformation, and display of mathematical expressions is also presented.

The Structure of Mathematical Knowledge

This report develops a conceptual framework in which to talk about mathematical knowledge. There are several broad categories of mathematical knowledge: results which contain the traditional logical aspects of mathematics; examples which contain illustrative material; and concepts which include formal and informal ideas, that is, definitions and heuristics.

Structure and Interpretation of Computer Programs

"The Structure and Interpretation of Computer Programs" is the entry-level subject in Computer Science at the Massachusetts Institute of Technology. It is required of all students at MIT who major in Electrical Engineering or in Computer Science, as one fourth of the "common core curriculum," which also includes two subjects on circuits and linear systems and a subject on the design of digital systems. We have been involved in the development of this subject since 1978, and we have taught this material in its present form since the fall of 1980 to approximately 600 students each year. Most of these students have had little or no prior formal training in computation, although most have played with computers a bit and a few have had extensive programming or hardware design experience. Our design of this introductory Computer Science subject reflects two major concerns. First we want to establish the idea that a computer language is not just a way of getting a computer to perform operations, but rather that it is a novel formal medium for expressing ideas about methodology. Thus, programs must be written for people to read, and only incidentally for machines to execute. Secondly, we believe that the essential material to be addressed by a subject at this level, is not the syntax of particular programming language constructs, nor clever algorithms for computing particular functions of efficiently, not even the mathematical analysis of algorithms and the foundations of computing, but rather the techniques used to control the intellectual complexity of large software systems.

An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network

P-glycoprotein (P-gp), an ATP-binding cassette (ABC) transporter, functions as a biological barrier by extruding cytotoxic agents out of cells, resulting in an obstacle in chemotherapeutic treatment of cancer. In order to aid in the development of potential P-gp inhibitors, we constructed a quantitative structure-activity relationship (QSAR) model of flavonoids as P-gp inhibitors based on Bayesian-regularized neural network (BRNN). A dataset of 57 flavonoids collected from a literature binding to the C-terminal nucleotide-binding domain of mouse P-gp was compiled. The predictive ability of the model was assessed using a test set that was independent of the training set, which showed a standard error of prediction of 0.146 +/- 0.006 (data scaled from 0 to 1). Meanwhile, two other mathematical tools, back-propagation neural network (BPNN) and partial least squares (PLS) were also attempted to build QSAR models. The BRNN provided slightly better results for the test set compared to BPNN, but the difference was not significant according to F-statistic at p = 0.05. The PLS failed to build a reliable model in the present study. Our study indicates that the BRNN-based in silico model has good potential in facilitating the prediction of P-gp flavonoid inhibitors and might be applied in further drug design.

Evaluation of nonlinear chromatographic performance by frontal analysis using a simple multi-plate mathematical model

A multi-plate (NIP) mathematical model was proposed by frontal analysis to evaluate nonlinear chromatographic performance. One of its advantages is that the parameters may be easily calculated from experimental data. Moreover, there is a good correlation between it and the equilibrium-dispersive (E-D) or Thomas models. This shows that it can well accommodate both types of band broadening that is comprised of either diffusion-dominated processes or kinetic sorption processes. The MP model can well describe experimental breakthrough curves that were obtained from membrane affinity chromatography and column reversed-phase liquid chromatography. Furthermore, the coefficients of mass transfer may be calculated according to the relationship between the MP model and the E-D or Thomas models. (C) 2004 Elsevier B.V. All rights reserved.

Large-Amplitude nonlinear stability results for atmospheric circulations

Douglas, Robert; Cullen, M.J.P., (2002) 'Large-Amplitude nonlinear stability results for atmospheric circulations', The Quarterly Journal of the Royal Meteorological Society 129 pp.1969-1988 RAE2008

Characteristic Functions for Ergodic Tuples

Gohm, Rolf; Dey, S., 'Characteristic function for ergodic tuples', Integral Equations and Operator Theory 58(1) pp.43-63 RAE2008