Secondary and primary relaxations in hyperbranched polyglycerol: a comparative study in the frequency and time domains

The non-Debye relaxation behavior of hyperbranched polyglycerol was investigated by broadband dielectric spectroscopy. A thorough study of the relaxations was carried out paying special attention to truncation effects on deconvolutions of overlapping processes. Hyperbranched polyglycerol exhibits two relaxations in the glassy state named in increasing order of frequency beta and gamma processes. The study of the evolution of these two fast processes with temperature in the time retardation spectra shows that the beta absorption is swallowed by the alpha in the glass-liquid transition, the gamma absorption being the only relaxation that remains operative in the liquid state. In heating, a temperature is reached at which the alpha absorption vanishes appearing the alphagamma relaxation. Two characteristics of alpha absorptions, decrease of the dielectric strength with increasing temperature and rather high activation energy, are displayed by the alphagamma process. Williams' ansatz seems to hold for these topologically complex macromolecules.     

The Resolved Mutual Information Function as a Structural Fingerprint of Biomolecular Sequences for Interpretable Machine Learning Classifiers

In the present article we propose the application of variants of the mutual information function as characteristic fingerprints of biomolecular sequences for classification analysis. In particular, we consider the resolved mutual information functions based on Shannon-, Rényi-, and Tsallis-entropy. In combination with interpretable machine learning classifier models based on generalized learning vector quantization, a powerful methodology for sequence classification is achieved which allows substantial knowledge extraction in addition to the high classification ability due to the model-inherent robustness. Any potential (slightly) inferior performance of the used classifier is compensated by the additional knowledge provided by interpretable models. This knowledge may assist the user in the analysis and understanding of the used data and considered task. After theoretical justification of the concepts, we demonstrate the approach for various example data sets covering different areas in biomolecular sequence analysis.     

Characterization of acid-base properties of polymers and other materials: relevance to adhesion science and technology

This paper reviews the background to the theory of Lewis acid-base (AB) interactions in adhesion, adsorption, wetting and mixing of polymers and other materials (pigments, fillers, fibres, etc.). These specific materials interactions require the revision of old concepts («polar» interactions) and the development of new analytical techniques and methodologies. Four of the most currently used techniques to characterize AB interactions are described: contact angle measurements, inverse gas chromatography. X-ray photoelectron spectroscopy, and atomic force microscopy.     

Block designs signed over groups of order 2n3m

We introduce a new piecewise construction technique for generalised Bhaskar Rao designs and the concepts of generalised Bhaskar Rao block design pieces and holey generalised Bhaskar Rao block designs. We prove composition theorems for these designs. Using this construction technique and the theory of group representations, and the representations of $2$-groups over the field with $3$ elements, we show that the established necessary conditions for the existence of generalised Bhaskar Rao designs of block size $3$ are sufficient for all groups of order $2^n{3}^m$.     

On Bernoulli decompositions for random variables, concentration bounds, and spectral localization

As was noted already by A. N. Kolmogorov, any random variable has a Bernoulli component. This observation provides a tool for the extension of results which are known for Bernoulli random variables to arbitrary distributions. Two applications are provided here: (i) an anti-concentration bound for a class of functions of independent random variables, where probabilistic bounds are extracted from combinatorial results, and (ii) a proof, based on the Bernoulli case, of spectral localization for random Schrödinger operators with arbitrary probability distributions for the single site coupling constants. For a general random variable, the Bernoulli component may be defined so that its conditional variance is uniformly positive. The natural maximization problem is an optimal transport question which is also addressed here.     

Existence of (2, 8) GWhD( v) and (4, 8) GWhD( v) with $${ v \equi v 0,1 (mod 8)}$$

(2, 8) Generalized Whist tournament Designs (GWhD) on v players exist only if . We establish that these necessary conditions are sufficient for all but a relatively small number of (possibly) exceptional cases. For there are at most 12 possible exceptions: {177, 249, 305, 377, 385, 465, 473, 489, 497, 537, 553, 897}. For there are at most 98 possible exceptions the largest of which is v = 3696. The materials in this paper also enable us to obtain four previously unknown (4, 8)GWhD(8n+1), namely for n = 16,60,191,192 and to reduce the list of unknown (4, 8) GWhD(8n) to 124 values of v the largest of which is v = 3696.      

Super-simple, Pan-orientable, and Pan-decomposable BIBDs with Block Size 4 and Related Structures

Let v, k, and μ be positive integers. A tournament T of order k, briefly k-tournament, is a directed graph on k vertices in which there is exactly one directed edge between any two vertices. A (v, k, λ = 2μ)-BIBD is called T-orientable if for each of its blocks B, it is possible to replace B by a copy of T on the set B so that every ordered pair of distinct points appears in exactly μ k-tournaments. A (v, k, λ = 2μ)-BIBD is called pan-orientable if it is T-orientable for every possible k-tournament T. In this paper, we continue the earlier investigations and complete the spectrum for (v, 4, λ = 2μ)-BIBDs which possess both the pan-orientable property and the pan-decomposable property first introduced by Granville et al. (Graphs Comb 5:57–61, 1989). For all μ, we are able to show that the necessary existence conditions are sufficient. When λ = 2 and v > 4, our designs are super-simple, that is they have no two blocks with more than two common points. One new corollary to this result is that there exists a (v, 4, 2)-BIBD which is both super-simple and directable for all v ≡ 1, 4 (mod 6), v > 4. Finally, we investigate the existence of pan-orientable, pan-decomposable (v, 4, λ = 2μ)-BIBDs with a pan-orientable, pan-decomposable (w, 4, λ = 2μ)-BIBD as a subdesign; here we obtain complete results for λ = 2, 4, but there remain several open cases for λ = 6 (mostly for v < 4w), and the case λ = 12 still has to be investigated.     

Ordered tournaments and ordered triplewhist tournaments with the three person property

It is well known that an ordered tournament OWh(v) exists if and only if v ≡ 1 (mod 4), v ≥ 5. An ordered triplewhist tournament on v players is said to have the three person property if no two games in the tournament have three common players. We briefly denote such a design as a 3POTWh(v). In this article, we show that a 3POTWh(v) exists whenever v>17 and v ≡ 1 (mod 4) with few possible exceptions. We also show that an ordered whist tournament on v players with the three person property, denoted 3POWh(v), exists if and only if v ≡ 1 (mod 4), v ≥ 9. © 2008 Wiley Periodicals, Inc. J Combin Designs 17: 39–52, 2009     

Improved method for the determination of biogenic amines and polyamines in vegetable products by ion-pair high-performance liquid chromatography

Here, we report on the optimisation and validation of a liquid chromatographic method for the determination of 12 biologically active amines from vegetal food products in a single 40-min run. The suitability of the method was checked in five vegetal products of distinct matrix: spinach (leaves), hazelnut (high protein and fat content), banana, potato (high starch content), and milk chocolate (processed). Sample preparation consisted of a 0.6 M perchloric acid extraction from a minced homogeneous aliquot. For samples with high starch content, a previous mild hydrolytic treatment was required to prevent gel formation. The range of linearity was from 0.1 to 10 mg/l, except for serotonin and spermine (from 0.5 to 10 mg/l), and the correlation coefficient was higher than 0.997 (P < 0.001) for all standard curves. The detection limits and the determination limit were below 0.07 and 0.2 mg/l, respectively, except for spermine, which was 0.14 and 0.4 mg/l. The precision of the method was satisfactory; the relative standard deviation obtained for each amine in each product was acceptable according to Horwitz. Recovery was between 77 and 110% for all amines, irrespective of the product.