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Physiochemical Properties (physiochemical + property)
Selected AbstractsPseudomonas fluorescens' view of the periodic tableENVIRONMENTAL MICROBIOLOGY, Issue 1 2008Matthew L. Workentine Summary Growth in a biofilm modulates microbial metal susceptibility, sometimes increasing the ability of microorganisms to withstand toxic metal species by several orders of magnitude. In this study, a high-throughput metal toxicity screen was initiated with the aim of correlating biological toxicity data in planktonic and biofilm cells to the physiochemical properties of metal ions. To this end, Pseudomonas fluorescens ATCC 13525 was grown in the Calgary Biofilm Device (CBD) and biofilms and planktonic cells of this microorganism were exposed to gradient arrays of different metal ions. These arrays included 44 different metals with representative compounds that spanned every group of the periodic table (except for the halogens and noble gases). The minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC) and minimum biofilm eradication concentration (MBEC) values were obtained after exposing the biofilms to metal ions for 4 h. Using these values, metal ion toxicity was correlated to the following ion-specific physicochemical parameters: standard reduction-oxidation potential, electronegativity, the solubility product of the corresponding metal,sulfide complex, the Pearson softness index, electron density and the covalent index. When the ions were grouped according to outer shell electron structure, we found that heavy metal ions gave the strongest correlations to these parameters and were more toxic on average than the other classes of the ions. Correlations were different for biofilms than for planktonic cells, indicating that chemical mechanisms of metal ion toxicity differ between the two modes of growth. We suggest that biofilms can specifically counter the toxic effects of certain physicochemical parameters, which may contribute to the increased ability of biofilms to withstand metal toxicity. [source] Prediction of protein folding rates from primary sequences using hybrid sequence representationJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 5 2009Yingfu Jiang Abstract The ability to predict protein folding rates constitutes an important step in understanding the overall folding mechanisms. Although many of the prediction methods are structure based, successful predictions can also be obtained from the sequence. We developed a novel method called prediction of protein folding rates (PPFR), for the prediction of protein folding rates from protein sequences. PPFR implements a linear regression model for each of the mainstream folding dynamics including two-, multi-, and mixed-state proteins. The proposed method provides predictions characterized by strong correlations with the experimental folding rates, which equal 0.87 for the two- and multistate proteins and 0.82 for the mixed-state proteins, when evaluated with out-of-sample jackknife test. Based on in-sample and out-of-sample tests, the PPFR's predictions are shown to be better than most of other sequence only and structure-based predictors and complementary to the predictions of the most recent sequence-based QRSM method. We show that simultaneous incorporation of several characteristics, including the sequence, physiochemical properties of residues, and predicted secondary structure provides improved quality. This hybridized prediction model was analyzed to reveal the complementary factors that can be used in tandem to predict folding rates. We show that bigger proteins require more time for folding, higher helical and coil content and the presence of Phe, Asn, and Gln may accelerate the folding process, the inclusion of Ile, Val, Thr, and Ser may slow down the folding process, and for the two-state proteins increased ,-strand content may decelerate the folding process. Finally, PPFR provides strong correlation when predicting sequences with low similarity. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009 [source] High Hydrostatic Pressure Pasteurization of Red WineJOURNAL OF FOOD SCIENCE, Issue 8 2006Chulkyoon Mok ABSTRACT:, Pasteurization of low-alcohol wine using a high hydrostatic pressure (HHP) process was studied. A total of 10 mL grape wine sealed in a nylon/LLDPE bag was placed inside the HHP chamber. The pressure applied to the treatment chamber was maintained at 1000 to 3500 atm for 0 to 30 min. The effects of HHP treatments on the physiochemical properties (alcohol, pH, acidity, total sugar) and microbes (aerobic bacteria, yeast, and lactic acid bacteria) were examined. The HHP treatments had little impact on the physiochemical properties. The pasteurization effect of the HHP treatments increased with treatment pressure and time. A total of 2 different stages in the microbial inactivation were noticed when the 1st-order reaction model was used to fit the inactivation data. The inactivation rate was higher in the initial stages than in the later stages, suggesting that might be 2 different groups of the microorganisms, a more HHP-susceptible group and a less HHP-susceptible group. [source] Density functional theory for chemical engineering: From capillarity to soft materialsAICHE JOURNAL, Issue 3 2006Jianzhong Wu Abstract Understanding the microscopic structure and macroscopic properties of condensed matter from a molecular perspective is important for both traditional and modern chemical engineering. A cornerstone of such understanding is provided by statistical mechanics, which bridges the gap between molecular events and the structural and physiochemical properties of macro- and mesoscopic systems. With ever-increasing computer power, molecular simulations and ab initio quantum mechanics are promising to provide a nearly exact route to accomplishing the full potential of statistical mechanics. However, in light of their versatility for solving problems involving multiple length and timescales that are yet unreachable by direct simulations, phenomenological and semiempirical methods remain relevant for chemical engineering applications in the foreseeable future. Classical density functional theory offers a compromise: on the one hand, it is able to retain the theoretical rigor of statistical mechanics and, on the other hand, similar to a phenomenological method, it demands only modest computational cost for modeling the properties of uniform and inhomogeneous systems. Recent advances are summarized of classical density functional theory with emphasis on applications to quantitative modeling of the phase and interfacial behavior of condensed fluids and soft materials, including colloids, polymer solutions, nanocomposites, liquid crystals, and biological systems. Attention is also given to some potential applications of density functional theory to material fabrications and biomolecular engineering. © 2005 American Institute of Chemical Engineers AIChE J, 2006 [source] Raman spectroscopy and multivariate curve resolution of concentrated Al2O3,Na2O,H2O solutionsJOURNAL OF RAMAN SPECTROSCOPY, Issue 6 2003Jon R. Schoonover Abstract Multivariate curve resolution was applied to a series of Raman spectra for samples representing highly concentrated alkaline aluminate slurries. Factors are extracted that represent the behavior of the dominant chemical species present, including aluminate monomer, aluminate oligomers, water and hydroxide. The analysis is particularly useful in unraveling the numerous overlapping contributions in the ,(OH) region of the spectrum. These extracted factors were further examined by comparing their scores with measured physiochemical properties such as density, relative humidity and molar concentrations of components, weight fractions and water activity. Published in 2003 by John Wiley & Sons, Ltd.. [source] Characterization of fermented black soybean natto inoculated with Bacillus natto during fermentationJOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 7 2010Yongjin Hu Abstract BACKGROUND: To make nutrients more accessible and further increase biological activity, cooked black soybeans were inoculatedwith Bacillus natto and fermented at 37 °C for 48 h. The changes in physiochemical properties of fermented black soybean natto were investigated. RESULTS: The inoculation procedure significantly increased moisture, viscosity, color, polyphenol compounds and anthocyanin, and significantly decreased hardness after 48 h fermentation. Fibrinolytic and caseinolytic protease, ,-glucosidase activities, TCA-soluble nitrogen, and ammonia nitrogen contents in the inoculated samples significantly increased as fermentation time increased. Genistin and daidzin concentrations gradually decreased with increased fermentation time. However, genistein and daidzein increased with fermentation time, which reached 316.8 and 305.2 µg g,1 during 48 h fermentation, respectively. DPPH radical scavenging activities of the fermented black soybeans increased linearly with fermentation time and concentration. Compared with the soaked black soybeans and cooked black soybeans, the fermented black soybeans with B. natto resulted in higher scavenging activity towards DPPH radicals, which correlated well with the content of total phenols (r = 0.9254, P < 0.05) and aglycone isoflavone (r = 0.9861, P < 0.05). CONCLUSION: Black soybean natto fermented by B. natto has the potential to become a functional food because of its high antioxidant activity. Copyright © 2010 Society of Chemical Industry [source] Agronomic and environmental implications of enhanced s -triazine degradationPEST MANAGEMENT SCIENCE (FORMERLY: PESTICIDE SCIENCE), Issue 5 2010L Jason Krutz Abstract Novel catabolic pathways enabling rapid detoxification of s -triazine herbicides have been elucidated and detected at a growing number of locations. The genes responsible for s -triazine mineralization, i.e. atzABCDEF and trzNDF, occur in at least four bacterial phyla and are implicated in the development of enhanced degradation in agricultural soils from all continents except Antarctica. Enhanced degradation occurs in at least nine crops and six crop rotation systems that rely on s -triazine herbicides for weed control, and, with the exception of acidic soil conditions and s -triazine application frequency, adaptation of the microbial population is independent of soil physiochemical properties and cultural management practices. From an agronomic perspective, residual weed control could be reduced tenfold in s -triazine-adapted relative to non-adapted soils. From an environmental standpoint, the off-site loss of total s -triazine residues could be overestimated 13-fold in adapted soils if altered persistence estimates and metabolic pathways are not reflected in fate and transport models. Empirical models requiring soil pH and s -triazine use history as input parameters predict atrazine persistence more accurately than historical estimates, thereby allowing practitioners to adjust weed control strategies and model input values when warranted. Published in 2010 by John Wiley & Sons, Ltd. [source] In vitro hydrolytic degradation of centrifugally spun polyhydroxybutyrate,pectin composite fibresPOLYMER INTERNATIONAL, Issue 12 2009L John R Foster Abstract BACKGROUND: Centrifugal spinning is a novel fibre-forming process that readily permits the incorporation of additives while avoiding the thermal damage often associated with conventional melt spinning. Centrifugal spinning of a viscous solution of poly(3-hydroxybutyrate) (PHB) mixed with pectin was used to fabricate a range of fibres containing different concentrations of this biologically active agent. The influence of this blending on fibre morphology and in vitro degradation in an accelerated hydrolytic model at 70 °C and pH of 10.6 is reported. RESULTS: Blending influenced the physiochemical properties of the fibres, and this significantly affected the degradation profile of both the fibre and its PHB constituent. A greater influence on degradation was exerted by the type of pectin and its degree of esterification than by variations in its loading. CONCLUSION: Centrifugal spinning permits the fabrication of composite fibrous matrices from PHB and pectin. Incorporation of the polysaccharide into the fibres can be used to manipulate degradation behaviour and demonstrates a model for doping of matrices with active biological constituents. The unique features of the centrifugal spinning process, as illustrated by the structure of the fibres and the degradation profiles, suggest possible applications of centrifugally spun biopolymers as wound scaffolding devices and in tissue engineering. Copyright © 2009 Society of Chemical Industry [source] Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter InhibitorsCHEMMEDCHEM, Issue 11 2009Abstract Quinazolinones, indolo- and pyrrolopyrimidines with inhibitory effects toward ABCB1 (P-gp) and ABCC1 (MRP1) transporters were studied by pharmacophore modeling, docking, and 3D QSAR to describe the binding preferences of the proteins. The pharmacophore overlays between dual and/or highly selective inhibitors point to binding sites of different topology and physiochemical properties for MRP1 and P-gp. Docking of selective inhibitors into the P-gp binding cavity by the use of a structural model based on the recently resolved P-gp structure confirms the P-gp pharmacophore features identified, and reveals the interactions of some functional groups and atoms in the structures with particular protein residues. The 3D QSAR analysis of the dual-effect inhibitors allows satisfactory prediction of the selectivity index of the compounds and outlines electrostatics as most important for selectivity. The results from the combined modeling approach complement each other and could improve our understanding of the protein,ligand interactions involved, and could aid in the development of highly selective and potent inhibitors of P-gp and MRP1. [source] | ||||||||||