Experimental and theoretical studies on molecular geometry and polymorphism in crystalline drug substances

DUE TO COPYRIGHT RESTRICTIONS ONLY AVAILABLE FOR CONSULTATION AT ASTON UNIVERSITY LIBRARY AND INFORMATION SERVICES WITH PRIOR ARRANGEMENT

Complexity and chirality indices for molecular informatics::differential geometry approach

Novel molecular complexity measures are designed based on the quantum molecular kinematics. The Hamiltonian matrix constructed in a quasi-topological approximation describes the temporal evolution of the modelled electronic system and determined the time derivatives for the dynamic quantities. This allows to define the average quantum kinematic characteristics closely related to the curvatures of the electron paths, particularly, the torsion reflecting the chirality of the dynamic system. A special attention has been given to the computational scheme for this chirality measure. The calculations on realistic molecular systems demonstrate reasonable behaviour of the proposed molecular complexity indices.

The role of lipid geometry in designing liposomes for the solubilisation of poorly water soluble drugs

Liposomes are well recognised for their ability to improve the delivery of a range of drugs. More commonly they are applied for the delivery of water-soluble drugs, but given their structural attributes, they can also be employed as solubilising agents for low solubility drugs as well as drug targeting agents. To further explore the potential of liposomes as solubilising agents, we have investigated the role of bilayer packaging in promoting drug solubilisation in liposome bilayers. The effect of alkyl chain length and symmetry was investigated to consider if using 'mis-matched' phospholipids could create 'voids' within the bilayers, and enhance bilayer loading capacity. Lipid packing was investigated using Langmuir studies, which demonstrated that increasing the alkyl chain length enhanced lipid packing, with condensed monolayers forming, whilst asymmetric lipids formed less condensed monolayers. However, this more open packing did not translate into improved drug loading, with the longer chain, condensed bilayers formed from long-chain, saturated lipids offering higher drug loading capacity. These studies demonstrate that liposomes formulated from longer chain, saturated lipids offer enhanced solubilisation capacity. However the molecular size, rather than lipophilicity, of the drug to be incorporated was also a key factor dominating bilayer incorporation efficiency. © 2012 Elsevier B.V. All rights reserved.

On Parabolic Subgroups and Hecke Algebras of some Fractal Groups

* The authors thank the “Swiss National Science Foundation” for its support.

Generalization of a Conjecture in the Geometry of Polynomials

In this paper we survey work on and around the following conjecture, which was first stated about 45 years ago: If all the zeros of an algebraic polynomial p (of degree n ≥ 2) lie in a disk with radius r, then, for each zero z1 of p, the disk with center z1 and radius r contains at least one zero of the derivative p′ . Until now, this conjecture has been proved for n ≤ 8 only. We also put the conjecture in a more general framework involving higher order derivatives and sets defined by the zeros of the polynomials.

Conference on Geometry and Mathematical Physics, Bulgaria, Zlatograd, 28.08-01.09.2005

List of Participants

Are European equity markets efficient? New evidence from fractal analysis

We report an empirical analysis of long-range dependence in the returns of eight stock market indices, using the Rescaled Range Analysis (RRA) to estimate the Hurst exponent. Monte Carlo and bootstrap simulations are used to construct critical values for the null hypothesis of no long-range dependence. The issue of disentangling short-range and long-range dependence is examined. Pre-filtering by fitting a (short-range) autoregressive model eliminates part of the long-range dependence when the latter is present, while failure to pre-filter leaves open the possibility of conflating short-range and long-range dependence. There is a strong evidence of long-range dependence for the small central European Czech stock market index PX-glob, and a weaker evidence for two smaller western European stock market indices, MSE (Spain) and SWX (Switzerland). There is little or no evidence of long-range dependence for the other five indices, including those with the largest capitalizations among those considered, DJIA (US) and FTSE350 (UK). These results are generally consistent with prior expectations concerning the relative efficiency of the stock markets examined. © 2011 Elsevier Inc.

Gratings in novel fibre geometry for applications in shape sensing

A long period grating (LPG) fabricated in progressive three-layered (PTL) fibre is described. The grating with a period of 391µm, had dual attenuation bands associated with a particular cladding mode. The dual attenuation bands have been experimentally characterised for their spectral sensitivity to bending, which resulted in the highest sensitivity to bending seen for this particular fibre and temperature. The spectral characteristics of the fibre have been modelled giving good agreement to the experimental data as well as showing that the attenuation bands are both associated with the second order HE/EH2,n cladding mode.

One Application of the Informatics in the Descriptive Geometry

This work acquaints with a program for interactive computer training to students on the subject "Mutual intersecting of pyramids in axonometry ”. Our software is a set of three modules, which we call "student", "teacher" and "autopilot". It gives the final solution of the problem, the traceability of various significant moments in its solution and 3D-image of the finished composition of the two intersecting polyhedra, stripped of the working lines and subjected to rotation and translation.

Two Remarkable Points of the Triangle Geometry

It is shown in the paper the discovery of two remarkable points of the triangle by means of “THE GEOMETER’S SKETCHPAD” software. Some properties of the points are considered too.

Geometry over two Arbitrary Arithmetic Progressions

We consider quadrate matrices with elements of the first row members of an arithmetic progression and of the second row members of other arithmetic progression. We prove the set of these matrices is a group. Then we give a parameterization of this group and investigate about some invariants of the corresponding geometry. We find an invariant of any two points and an invariant of any sixth points. All calculations are made by Maple.

Compositional Geometry and Programming

Report published in the Proceedings of the National Conference on "Education and Research in the Information Society", Plovdiv, May, 2014

Geometry of Warped Product Semi-Invariant Submanifolds of a Locally Riemannian Product Manifold

2000 Mathematics Subject Classification: 53C42, 53C15.

The fractal properties of the retinal vascular architecture

Purpose: The human retinal vasculature has been demonstrated to exhibit fractal, or statistically self similar properties. Fractal analysis offers a simple quantitative method to characterise the complexity of the branching vessel network in the retina. Several methods have been proposed to quantify the fractal properties of the retina. Methods: Twenty five healthy volunteers underwent retinal photography, retinal oximetry and ocular biometry. A robust method to evaluate the fractal properties of the retinal vessels is proposed; it consists of manual vessel segmentation and box counting of 50 degree retinal photographs centred on the fovea. Results: Data is presented on the associations between the fractal properties of the retinal vessels and various functional properties of the retina. Conclusion Fractal properties of the retina could offer a promising tool to assess the risk and prognostic factors that define retinal disease. Outstanding efforts surround the need to adopt a standardised protocol for assessing the fractal properties of the retina, and further demonstrate its association with disease processes.