Modifications Induced by UV-Vis Irradiation on DNA Extract of Kiwifruit Investigated by Spectroscopic and Statistic Methods

ABSTRACT

Revealing molecular alterations induced on kiwifruit under UV-Vis irradiation requires a discussion of biochemical-cell infrared (IR) fingerprint (900 cm^?1–1800 cm^?1) bands characteristic of nucleic acids. FTIR-ATR spectroscopy and statistics and nondestructive methods for screening exposure effects induced by irradiation were used. There the irradiation influence on the main molecular bonds (i.e., ν(C-C), ν_s(PO₂?) and ν_as(PO₂?)) can be observed. Regression methods were used for statistical investigations. Two categories of variables were used: the absorbance measured at fixed wavenumber variables and the exposure dose. The bivariate correlations, partial correlations, and polynomial regression methods from SPSS were used for statistical investigations. The obtained results show that FTIR-ATR, in correlation with statistics techniques, might be useful to assess immediate radiation and oxidative-induced damage to nucleic acids. In this case IR spectroscopy can be used successfully to study conformational changes during DNA reversible denaturation especially on the sugar-phosphate vibrations domain.     

Optimization strategy based on genetic algorithms and neural networks applied to a polymerization process

The article presents a simple and general methodology, especially destined to the optimization of complex, strongly nonlinear systems, for which no extensive knowledge or precise models are available. The optimization problem is solved by means of a simple genetic algorithm, and the results are interpreted both from the mathematical point of view (the minimization of the objective function) and technological (the estimation of the achievement of individual objectives in multiobjective optimization). The use of a scalar objective function is supported by the fact that the genetic algorithm also computes the weights attached to the individual objectives along with the optimal values of the decision variables. The optimization strategy is accomplished in three stages: (1) the design and training of the neural model by a new method based on a genetic algorithm where information about the network is coded into the chromosomes; (2) the actual optimization based on genetic algorithms, which implies testing different values for parameters and different variants of the algorithm, computing the weights of the individual objectives and determining the optimal values for the decision variables; (3) the user's decision, who chooses a solution based on technological criteria. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

Surface hydrophobicity modulates the operation of actomyosin-based dynamic nanodevices

We studied the impact of surface hydrophobicity on the motility of actin filaments moving on heavy-meromyosin (HMM)-coated surfaces. Apart from nitrocellulose (NC), which is the current standard for motility assays, all materials tested are good candidates for microfabrication: hydrophilic and hydrophobic glass, poly(methyl methacrylate) (PMMA), poly(tert-butyl methacrylate) (PtBuMA), and a copolymer of O-acryloyl acetophenone oxime with a 4-acryloyloxybenzophenone (AAPO). The most hydrophilic (hydrophilic glass, contact angle 35 degrees) and the most hydrophobic (PtBuMA, contact angle 78 degrees) surfaces do not maintain the motility of actin filaments, presumably because of the low density of adsorbed HMM protein or its high levels of denaturation, respectively. The velocity of actin filaments presents higher values in the middle of this "surface hydrophobicity motility window" (NC, PMMA), and a bimodal distribution, which is more apparent at the edges of this motility window (hydrophobic glass and AAPO). A molecular surface analysis of HMM and its S1 units suggests that the two very different, temporally separated conformations of the HMM heads could exacerbate the surface-modulated protein behavior, which is common to all microdevices using surface-immobilized proteins. An explanation for the above behavior proposes that the motility of actin filaments on HMM-functionalized surfaces is the result of the action of three populations of motors, each in a different surface-protein conformation, that is, HMM with both heads working (high velocities), working with one head (low velocities), and fully denatured HMM (no motility). It is also proposed that the molecularly dynamic nature of polymer surfaces amplifies the impact of surface hydrophobicity on protein behavior. The study demonstrates that PMMA is a good candidate for the fabrication of future actomyosin-driven dynamic nanodevices because it induces the smoothest motility of individual nano-objects with velocities comparable with those obtained on NC.     

The Distribution of the Free Path Lengths in the Periodic Two-Dimensional Lorentz Gas in the Small-Scatterer Limit

We study the free path length and the geometric free path length in the model of the periodic two-dimensional Lorentz gas (Sinai billiard). We give a complete and rigorous proof for the existence of their distributions in the small-scatterer limit and explicitly compute them. As a corollary one gets a complete proof for the existence of the constant term in the asymptotic formula of the KS entropy of the billiard map in this model, as conjectured by P. Dahlqvist.In memory of Walter Philipp     

On the Caffarelli‐Kohn‐Nirenberg inequalities: Sharp constants,existence (and nonexistence), and symmetry of extremal functions

Consider the following inequalities due to Caffarelli, Kohn, and Nirenberg [6] where, for N ≥ 3, −∞ < a < (N − 2)/2, a ≤ b ≤ a + 1, and p = 2N/(N − 2 + 2(b − a)). We shall answer some fundamental questions concerning these inequalities such as the best embedding constants, the existence and nonexistence of extremal functions, and their qualitative properties. While the case a ≥ 0 has been studied extensively and a complete solution is known, little has been known for the case a < 0. Our results for the case a < 0 reveal some new phenomena which are in striking contrast with those for the case a ≥ 0. Results for N = 1 and N = 2 are also given. © 2001 John Wiley & Sons, Inc.     

Stochastic simulations based on mixed finite elements for solute transport in groundwater

An accurate mixed finite element method to solve both flow and transport is developed for stochastic simulations of transport in saturated aquifers characterized by random log-hydraulic conductivity fields. The main advantage of the mixed finite element is that it is local mass conservative. Unlike in stochastic finite element methods, this approach yields concentration fields and concentration moments for samples of the random field. In this way, it will be possible to analyze the behavior of different ensemble average observables of the transport process as well as the behavior of their fluctuations. Results of the stochastic simulations described here can be used to assess the reliability for real cases of the ensemble average quantities provided by stochastic modeling of transport in groundwater. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Numerical analyis of turbulent flow in a Coanda ejector

The task of this study is to investigate the influence of various geometric parameters and pressure ratios on the Coanda ejector performance. For numerically investigations we use an implicit formulation of the compressible Reynolds-average Navier-Stokes equations (RANS) for axisymmetric flow with a shear stress transport k − ω (SST model) turbulence model. The numerically results was obtained for a total pressure range 1-5 Bars, imposed at the reservoir inlet. The effect of various factors, such as, the pressure ratio, primary nozzle and ejector configurations on the system performance has been evaluated based on defined performance parameters. The numerical results have been compared with theoretical and experimental results for a given Coanda ejector configuration. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Supramolecular Structure - A Key Parameter for Cellulose Biodegradation

Summary: Three different cellulosic substrata, like microcrystalline cellulose, cotton cellulose and spruce dissolving pulp, were chosen for biodegradation. The kinetics of the enzymatic hydrolysis of these celluloses by Trichoderma reesei, has been investigated. The experiments proved the fact that both the morphological structure and the crystalline one are crucial to the process and the ratio of the reactions. In addition, in order to obtain the most accessible cellulose substratum it was studied the biodegradation of cellulose allomorphs of spruce dissolving pulp. The insoluble cellulose fraction remaining after enzymatic hydrolysis was examined by X-ray diffraction method and it was established the degree of crystallinity and the average crystallite size. The enzymatic degradation is also proved by the decrease in the degree of polymerization of hydrolyzed samples.