Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs

Examination of the symmetric Hantzsch 1,4-dihydropyridine ester derivatives of the prototypical nifedipine molecule indicates the tendency of this class of molecule to form a common packing motif. Crystal structure analysis of 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic diesters and analogs reveals that they form extended chains, characterized as the C(6) packing motif, via intermolecular (amine) N-H...O=C (C3,C5 carbonyl) hydrogen bonds. In addition, all the prepared derivatives also satisfy the basic structural requirements for their high binding efficiency to the receptor. The reproducible C(6) packing motif observed among these compounds has a use in the design of solid-state materials.

Multiresolution Area-based Fractal Dimension Estimation of Signals Applied to EEG Data

In this paper, we present an approach to estimate fractal complexity of discrete time signal waveforms based on computation of area bounded by sample points of the signal at different time resolutions. The slope of best straight line fit to the graph of log(A(rk)A / rk(2)) versus log(l/rk) is estimated, where A(rk) is the area computed at different time resolutions and rk time resolutions at which the area have been computed. The slope quantifies complexity of the signal and it is taken as an estimate of the fractal dimension (FD). The proposed approach is used to estimate the fractal dimension of parametric fractal signals with known fractal dimensions and the method has given accurate results. The estimation accuracy of the method is compared with that of Higuchi's and Sevcik's methods. The proposed method has given more accurate results when compared with that of Sevcik's method and the results are comparable to that of the Higuchi's method. The practical application of the complexity measure in detecting change in complexity of signals is discussed using real sleep electroencephalogram recordings from eight different subjects. The FD-based approach has shown good performance in discriminating different stages of sleep.

Signal Characterization using Fractal Dimension

Fractal Dimensions (FD) are popular metrics for characterizing signals. They are used as complexity measuresin signal analysis applications in various fields. However, proper interpretation of such analyses has not been thoroughly addressed. In this paper, we study the effect of various signal properties on FD and interpret results in terms of classical signal processing concepts such as amplitude, frequency,number of harmonics, noise power and signal bandwidth. We have used Higuchi’s method for estimating FDs. This study helps in gaining a better understanding of the FD complexity measure for various signal parameters. Our results indicate that FD is a useful metric in estimating various signal properties. As an application of the FD measure in real world scenario, the FD is used as a feature in discriminating seizures from seizure free intervals in intracranial EEG data recordings and the FD feature has given good discrimination performance.

Consonance in urban form: The architectural dimension of urban morphology

Consonance in urban form is contingent on the continuity of the fine grain architectural features that are imbued in the commodity of the evolved historic urban fabric. A city's past can be viewed therefore as a repository of urban form characteristics from which concise architectural responses can result in a congruent urban landscape. This thesis proposes new methods to evaluate the interplay of architectural elements that can be traced throughout the lifespan of the particular evolving urban areas under scrutiny, and postulates a theory of how the mapping of historical urban form can correlate with deriving parameters for new buildings.

Exact calculations of survival probability for diffusion on growing lines, disks, and spheres: The role of dimension

Unlike standard applications of transport theory, the transport of molecules and cells during embryonic development often takes place within growing multidimensional tissues. In this work, we consider a model of diffusion on uniformly growing lines, disks, and spheres. An exact solution of the partial differential equation governing the diffusion of a population of individuals on the growing domain is derived. Using this solution, we study the survival probability, S(t). For the standard nongrowing case with an absorbing boundary, we observe that S(t) decays to zero in the long time limit. In contrast, when the domain grows linearly or exponentially with time, we show that S(t) decays to a constant, positive value, indicating that a proportion of the diffusing substance remains on the growing domain indefinitely. Comparing S(t) for diffusion on lines, disks, and spheres indicates that there are minimal differences in S(t) in the limit of zero growth and minimal differences in S(t) in the limit of fast growth. In contrast, for intermediate growth rates, we observe modest differences in S(t) between different geometries. These differences can be quantified by evaluating the exact expressions derived and presented here.

Parallel packing of alpha-helices in crystals of the zervamicin IIA analog Boc-Trp-Ile-Ala-Aib-Ile-Val-Aib-Leu-Aib-Pro-OMe.2H2O.

An apolar synthetic analog of the first 10 residues at the NH2-terminal end of zervamicin IIA crystallizes in the triclinic space group P1 with cell dimensions a = 10.206 +/- 0.002 A, b = 12.244 +/- 0.002 A, c = 15.049 +/- 0.002 A, alpha = 93.94 +/- 0.01 degrees, beta = 95.10 +/- 0.01 degrees, gamma = 104.56 +/- 0.01 degrees, Z = 1, C60H97N11O13 X 2H2O. Despite the relatively few alpha-aminoisobutyric acid residues, the peptide maintains a helical form. The first intrahelical hydrogen bond is of the 3(10) type between N(3) and O(0), followed by five alpha-helix-type hydrogen bonds. Solution 1H NMR studies in chloroform also favor a helical conformation, with seven solvent-shielded NH groups. Continuous columns are formed by head-to-tail hydrogen bonds between the helical molecules along the helix axis. The absence of polar side chains precludes any lateral hydrogen bonds. Since the peptide crystallizes with one molecule in a triclinic space group, aggregation of the helical columns must necessarily be parallel rather than antiparallel. The packing of the columns is rather inefficient, as indicated by very few good van der Waals' contacts and the occurrence of voids between the molecules.

Complexity analysis of EEG in patients with schizophrenia using fractal dimension

We computed Higuchi's fractal dimension (FD) of resting, eyes closed EEG recorded from 30 scalp locations in 18 male neuroleptic-naive, recent-onset schizophrenia (NRS) subjects and 15 male healthy control (HC) subjects, who were group-matched for age. Schizophrenia patients showed a diffuse reduction of FD except in the bilateral temporal and occipital regions, with the reduction being most prominent bifrontally. The positive symptom (PS) schizophrenia subjects showed FD values similar to or even higher than HC in the bilateral temporo-occipital regions, along with a co-existent bifrontal FD reduction as noted in the overall sample of NRS. In contrast, this increase in FD values in the bilateral temporo-occipital region was absent in the negative symptom (NS) subgroup. The regional differences in complexity suggested by these findings may reflect the aberrant brain dynamics underlying the pathophysiology of schizophrenia and its symptom dimensions. Higuchi's method of measuring FD directly in the time domain provides an alternative for the more computationally intensive nonlinear methods of estimating EEG complexity.

Packing for East Transport Artworks

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Harvesting, packing, postharvest technology, transport and processing

This chapter provides updated information on avocado fruit quality parameters, sensory perception and maturity, production and postharvest factors affecting quality defects, disinfestation and storage (including pre-conditioning), predicting outturn quality and processing.

Orange Packing

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Central Packing - Rehovoth

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Distortion of Dimension under Quasiconformal Mappings

Quasiconformal mappings are natural generalizations of conformal mappings. They are homeomorphisms with 'bounded distortion' of which there exist several approaches. In this work we study dimension distortion properties of quasiconformal mappings both in the plane and in higher dimensional Euclidean setting. The thesis consists of a summary and three research articles. A basic property of quasiconformal mappings is the local Hölder continuity. It has long been conjectured that this regularity holds at the Sobolev level (Gehring's higher integrabilty conjecture). Optimal regularity would also provide sharp bounds for the distortion of Hausdorff dimension. The higher integrability conjecture was solved in the plane by Astala in 1994 and it is still open in higher dimensions. Thus in the plane we have a precise description how Hausdorff dimension changes under quasiconformal deformations for general sets. The first two articles contribute to two remaining issues in the planar theory. The first one concerns distortion of more special sets, for rectifiable sets we expect improved bounds to hold. The second issue consists of understanding distortion of dimension on a finer level, namely on the level of Hausdorff measures. In the third article we study flatness properties of quasiconformal images of spheres in a quantitative way. These also lead to nontrivial bounds for their Hausdorff dimension even in the n-dimensional case.

Crystal structure from packing studies: application to the triclinic structure of the cyclic hexapeptide cyclo-(gly-tyr-gly)2

The paper describes a novel method of finding the position and orientation of a relatively rigid molecule in the unit cell from criteria concerning allowed contact distances between atoms. On application to the crystal structure of a hexapeptide, C25H31N6O8.2H2O, it was possible to solve the structure from this starting point, by a series of SFLS refinements with an increasingly larger number of reflexions at successive stages. The packing analysis succeeded, even though the water molecules were not included to start with.

1,2,3-Trifluorobenzene

In the title compound, C6H3F3, weak electrostatic and dispersive forces between C(delta+)-F(delta-) and H(delta+)-C(delta-) groups are at the borderline of the hydrogen-bond phenomenon and are poorly directional and further deformed in the presence of pi-pi stacking interactions. The molecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two antidromic C-H center dot center dot center dot F hydrogen bonds. These tapes are, in turn, connected into corrugated two-dimensional sheets by bifurcated C-H center dot center dot center dot F hydrogen bonds. Packing in the third dimension is furnished by pi-pi stacking interactions with a centroid-centroid distance of 3.6362 (14) angstrom.