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Physicochemical Parameters (physicochemical + parameter)
Selected AbstractsToxicity tests to assess pollutants removal during wastewater treatment and the quality of receiving waters in ArgentinaENVIRONMENTAL TOXICOLOGY, Issue 3 2001Carlos E. Gómez Abstract In Argentina, legislation to control adverse impacts of effluent discharges and the quality of receiving waters is scant and relies mainly on the physicochemical characteristics of the effluents and receiving waters. Objectives of this study were to use standardized acute toxicity tests to assess treatment of petrochemical industry effluents and the toxicity of various treated industrial effluents in the Buenos Aires metropolitan area and their receiving waters. Tests for the first objective used Daphnia magna and Ceriodaphnia dubia; those for the second used D. magna, Spirillum volutans, and Scenedesmus spinosus. Chemical analyses demonstrated that the removal of aromatic hydrocarbon compounds (benzene, toluene, ethylbenzene, xylene, styrene, and naphthalene) from the petrochemical effluents ranged between 77 and 93%, but toxicity removal was significantly lower: untreated effluents were very toxic and treated effluents were very toxic to toxic [acute toxicity units (TUa)>3]. Physicochemical parameters measured according to current Argentinian regulations indicated that industrial effluents (e.g., from textile and paper industries) were within established guidelines, but 25% of the samples were moderately to highly toxic (TUa>1.33). However, for the receiving waters, toxicity tests were moderate to very toxic. The results show the need of including tests for toxicity of discharged effluents, and their effects on receiving waters of Argentina, especially for regulatory purposes. © 2001 John Wiley & Sons, Inc. Environ Toxicol 16: 217,224, 2001 [source] Assessment of Relationships between Sensory and Instrumental Quality of Controlled-atmosphere-stored ,Fuji' Apples by Multivariate AnalysisJOURNAL OF FOOD SCIENCE, Issue 9 2004G. Echeverría ABSTRACT: Physicochemical parameters, sensory attributes, and total aroma emission of ,Fuji' apples (Malus×domestica Borkh.) were studied in relation to storage conditions, storage duration, and shelf life period. Commercially ripe fruit were analyzed after 3, 5, and 7 mo of cold storage in normal atmosphere (AIR) (210 L/m3 O2+ 0.3 L/m3 CO2) or under 3 different controlled atmosphere (CA) treatments (10 L/m3 O2+ 10 L/m3 CO2, 20 L/m3 O2+ 20 L/m3 CO2, or 10 L/m3 O2+ 30 L/m3 CO2), after which apples were kept at 20 °C for 1, 5, and 10 d. Data were subjected to partial least square regression (PLSR) analysis. Physicochemical parameters were well preserved throughout storage, especially in CA-stored apples; however, these apples showed lower total aroma emission. Sensory acceptability was also higher for CA-stored fruit after 7 mo of storage, whereas no significant differences were found for shorter storage periods. Accordingly, greater scores in sensory firmness, sensory flavor, sensory acidity, and appearance were observed for fruit stored in 10 L/m3 O2+ 10 L/m3 CO2 after long storage. Two PLSR models were established, 1 for relating physicochemical parameters to overall acceptability, and another for assessing the correlation between sensory acidity and instrumentally measured titratable acidity. The 1st PLSR model indicated that soluble solids concentration, titratable acidity, flesh firmness, and background color of the shaded side have a positive influence on acceptability. The 2nd model indicated that sensory acidity also showed an excellent correlation to instrumentally measured titratable acidity. [source] Physicochemical parameters and magnetic speciation of Iron in Nakivubo Channel and Lake Victoria watersLAKES & RESERVOIRS: RESEARCH AND MANAGEMENT, Issue 2 2009Naziriwo Betty Bbosa Abstract Magnetic speciation technique was used for the determination of iron species in Nakivubo Channel and Lake Victoria waters. The method consisted of a column of supported Dowex 1-X18, 20,50 US mesh (Cl) surrounded by movable permanent magnets. Dowex was supported by a porous material to permit adequate passage of the eluent through the column. In the presence of an external magnetic field, enhanced capacity for adsorption of iron III was observed. The enhanced capacity is primarily due to the magnetic field produced and ion exchange sorption mechanism. The results show that, most of the Iron in Nakivubo Channel waters is in reduced ferrous form while, in the Lake Victoria waters, it exists in the oxidized ferric form. Physicochemical parameters for the field samples are discussed in this study. Turbidity levels in catchments with substantial vegetation were significantly lower than those without. pH values up to 13 was observed for some of the point source. The physicochemical parameters along Nakivubo Channel waters were relatively higher than the Lake Victoria waters indicating slow increasing pollution load along the Nakivubo Channel. [source] Prediction of reversibly oxidized protein cysteine thiols using protein structure propertiesPROTEIN SCIENCE, Issue 3 2008Ricardo Sanchez Abstract Protein cysteine thiols can be divided into four groups based on their reactivities: those that form permanent structural disulfide bonds, those that coordinate with metals, those that remain in the reduced state, and those that are susceptible to reversible oxidation. Physicochemical parameters of oxidation-susceptible protein thiols were organized into a database named the Balanced Oxidation Susceptible Cysteine Thiol Database (BALOSCTdb). BALOSCTdb contains 161 cysteine thiols that undergo reversible oxidation and 161 cysteine thiols that are not susceptible to oxidation. Each cysteine was represented by a set of 12 parameters, one of which was a label (1/0) to indicate whether its thiol moiety is susceptible to oxidation. A computer program (the C4.5 decision tree classifier re-implemented as the J48 classifier) segregated cysteines into oxidation-susceptible and oxidation-non-susceptible classes. The classifier selected three parameters critical for prediction of thiol oxidation susceptibility: (1) distance to the nearest cysteine sulfur atom, (2) solvent accessibility, and (3) pKa. The classifier was optimized to correctly predict 136 of the 161 cysteine thiols susceptible to oxidation. Leave-one-out cross-validation analysis showed that the percent of correctly classified cysteines was 80.1% and that 16.1% of the oxidation-susceptible cysteine thiols were incorrectly classified. The algorithm developed from these parameters, named the Cysteine Oxidation Prediction Algorithm (COPA), is presented here. COPA prediction of oxidation-susceptible sites can be utilized to locate protein cysteines susceptible to redox-mediated regulation and identify possible enzyme catalytic sites with reactive cysteine thiols. [source] A quantitative approach to probe the dependence and correlation of food-effect with aqueous solubility, dose/solubility ratio, and partition coefficient (Log P) for orally active drugs administered as immediate-release formulationsDRUG DEVELOPMENT RESEARCH, Issue 2 2005Brahma N. Singh Abstract The purpose of the present review was to systematically evaluate if aqueous solubility, dose/solubility ratio, and partition coefficient (Log P) could be used as useful parameters to quantitatively probe the dependence and correlation of in vivo food effects with these physicochemical properties of orally active drugs administered as immediate-release (IR) formulations. Mean AUC data obtained under fasted and fed states of over 100 structurally diverse orally active drugs with different physicochemical properties were obtained from the primary literature. Correlations of AUC ratio (Fed/Fasted) with aqueous solubility, dose/solubility ratio, and Log P were derived and statistically evaluated by Pearson's correlation test (two-tailed). A negative correlation was obtained between the logarithm of the aqueous solubility and the AUC ratio (r=,0.5982, N=93), whereas a positive correlation existed between AUC ratio and Log P (r=0.5147, N=110) and between AUC ratio and dose/solubility ratio (r=0.5511, N=87). All these correlations were significant (P<0.0001). Based on this study, the estimated range within which a drug is not expected to be significantly affected by food falls between 0.148,89.39 mg/ml for aqueous solubility and between 0.23,624 ml for the dose:solubility ratio. The corresponding range of Log P for expecting a lack of food-effect lies between ,1.13 and 2.98. Quantitatively, the effect of food was most pronounced for lipophilic, poorly water-soluble drugs (with only a few exceptions), irrespective of whether the drug is acidic, basic, or neutral. It is concluded that aqueous solubility, dose/solubility ratio, and partition coefficient can be used as useful parameters to probe the dependence and correlation of food-effect with these physicochemical parameters for immediate-release formulations. Drug Dev. Res. 65:55,75, 2005. © 2005 Wiley-Liss, Inc. [source] Pseudomonas 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] A new morphospecies of Microcystis sp. forming bloom in the Cheffia dam (Algeria): Seasonal variation of microcystin concentrations in raw water and their removal in a full-scale treatment plantENVIRONMENTAL TOXICOLOGY, Issue 4 2007Hichèm Nasri Abstract Toxic cyanobacterial blooms are an increasing problem in Algeria. The production of cyanotoxins (microcystins) and their presence in drinking water represent growing hazards to human health. In this study, seasonal variations in the concentrations of total microcystins and physicochemical parameters (pH, temperature, dissolved oxygen, nitrate, orthophosphate, and chlorophyll- a) were analyzed in the Cheffia dam (Algeria), mainly used to supply drinking water. The removal of cyanobacterial cells and microcystins was also evaluated in full-scale plant associated with the Cheffia reservoir. The levels of microcystins (MCYSTs) in both raw and drinking water were evaluated using the protein phosphatase type 2A (PP2A) inhibition test as MCYST-LR equivalents. Identification of microcystin variants was achieved by LC/MS/MS. During the period of study (March,December 2004), microscopic observation showed the dominance in the autumn months (September,November) of a new morphospecies of Microcystis sp. The MCYST-LR equivalent concentrations in raw water varied between 50.8 and 28,886 ng L,1. The highest level of toxins was observed in October 2004 and was significantly correlated with the chlorophyll- a. Three variants of microcystins assigned as microcystin-YR (MCYST-YR), microcystin-LR (MCYST-LR), and 6Z -Adda stereoisomer of MCYST-LR were observed in the crude extract of the Microcystis sp. bloom sample. During the bloom period, total elimination of Microcystis sp. and toxins were achieved through a classical treatment plant comprised of coagulation and flocculation, powdered activated carbon at 15 mg L,1, slow sand filtration and chlorination before storage. © 2007 Wiley Periodicals, Inc. Environ Toxicol 22: 347,356, 2007. [source] Acute copper toxicity in the euryhaline copepod Acartia tonsa: implications for the development of an estuarine and marine biotic ligand modelENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 8 2010Grasiela Lopes Leães Pinho Abstract Copepods (Acartia tonsa) were exposed (48 h) to waterborne, diet-borne (non-Cu-equilibrated and Cu-equilibrated food), and waterborne plus diet-borne Cu in either the absence or the presence of food (diatom Thalassiosira weissflogii). Toxicity tests were run in different salinities (5, 15, and 30 ppt) together with measurements of physicochemical parameters and total and dissolved Cu concentrations in the experimental media. Results show that most of the toxic Cu fraction was in the dissolved phase. In general, Cu toxicity was higher in low (5 ppt) than in high salinity (30 ppt), regardless of the pathway of Cu exposure tested. In the absence of food, data clearly indicate that differences in waterborne Cu toxicity can be explained by changes in water chemistry. However, addition of food (either non-Cu-equilibrated or Cu-equilibrated) to the experimental media protected against acute Cu toxicity in salinities 5 and 15 ppt, suggesting that A. tonsa requires extra energy to cope with the stressful condition imposed by Cu exposure associated with the ionoregulatory requirements in low salinities. For diet-borne exposure, a very high Cu concentration was necessary to precontaminate the diatoms to a level resulting in copepod mortality. Therefore, availability of food exerted a more important positive impact in protecting against acute Cu toxicity than its potential negative impact via contamination resulting in toxicity. Findings indicate the need for incorporation of both salinity and food in a future biotic ligand model (BLM) version for Cu in estuarine and marine waters. In this context, the euryhaline copepod A. tonsa would be a suitable model species with which to perform experiments to validate and calibrate any future saltwater BLM. Environ. Toxicol. Chem. 2010; 29:1834,1840. © 2010 SETAC [source] Relation between metal concentration in water and metal content of marine mussels (Mytilus galloprovincialis): Impact of physiology,ENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 7 2008Stellio Casas Abstract The present study constitutes an in situ investigation of metal kinetics within soft tissue of mussels (Mytilus gallo-provincialis), which solves the problem of the decoupling of the effect of animal physiology and metal bioavailability in water. Field experiments were conducted to measure uptake and elimination kinetics for four metals (Hg, Pb, Cd, and Cu) in three Mediterranean sites with different contamination and nutritive levels. At each site, metal concentrations were monitored in soft tissues of mussels and in the surrounding waters. The experimental conditions were completely characterized: Lazaret Bay (located between Nice and Marseille, France) is a hot spot for Hg (6.3 ng/L) and Pb (163 ng/L) concentrations and is an oligotrophic, stable site; Bages Lagoon (located to the west of Montpellier, France) is particularly contaminated by Cd (1.5 ng/L) and Cu (1.5,g/L) and is a mesotrophic site where variability of trophic and physicochemical parameters is significant; and Port-Cros Island (located in the Hyeres National Park, France) is considered to be a reference site. Those kinetics permit us to decouple physiological, chemical, and environmental interactions. After normalizing mussel metal content for similar physiological conditions, application of the local weighted regression (LOWESS) statistical treatment shows a parallelism between the time trends of metal concentrations in the bivalve and metal concentrations in water. The results enabled us to obtain in situ kinetic parameters and realistic bioaccumulation factors. Their logarithmic values were 4.6 for Hg, 4.3 for Pb, 4.9 for Cd, and 3.9 for Cu. The importance of physiological processes such as spawning is discussed as a factor influencing the bioaccumulation factor. This information may be useful in refining monitoring tools for risk assessment and, more generally, in environmental management strategies. [source] Correlation between physicochemical analysis and radical-scavenging activity of vegetable oil blends as affected by frying of French friesEUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY, Issue 8 2006Mohamed Fawzy Ramadan Abstract The main goal of the present work was to compare and correlate the results of physicochemical parameters and antiradical performance of some oil blends during deep-frying, which will be an initial indicator for applying antiradical tests for monitoring deep-frying oils. Two oil blends were prepared. The first blend was a mixture (1,:,1, wt/wt) of sunflower seed oil and palm olein (SO/PO) and the second was a mixture (1,:,1, wt/wt) of cottonseed oil and palm olein (CO/PO). The oil blends were evaluated during intermittent frying of French fries on two consecutive days for 16,h, with oil replenishing after 8,h. Changes in the fatty acid profile and some physicochemical parameters (peroxide value, color index, viscosity, total polar compounds and UV absorbance at 232 and 270,nm) were used to evaluate the alterations during frying. A quick spectrophotometric method was developed to assess deep-frying oil quality. With the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, the neutralization of the stable radical DPPH by antioxidants present in the oil during frying was measured. Radical-scavenging activity (RSA) of both oil blends was recorded during frying, wherein the results showed that the SO/PO blend had the highest RSA. It was evident from the results that a proportional correlation and positive relationship existed between the levels of fatty acids and the physicochemical characteristics of the vegetable oil blends and their RSA. The initial results obtained allow us to suggest that antiradical measurements could be used to quantify the oxidative and hydrolytic deterioration of vegetable oils upon frying. [source] Abundance of intrinsic disorder in SV-IV, a multifunctional androgen-dependent protein secreted from rat seminal vesicleFEBS JOURNAL, Issue 4 2008Silvia Vilasi The potent immunomodulatory, anti-inflammatory and procoagulant properties of protein no. 4 secreted from the rat seminal vesicle epithelium (SV-IV) have previously been found to be modulated by a supramolecular monomer,trimer equilibrium. More structural details that integrate experimental data into a predictive framework have recently been reported. Unfortunately, homology modelling and fold-recognition strategies were not successful in creating a theoretical model of the structural organization of SV-IV. It was inferred that the global structure of SV-IV is not similar to that of any protein of known three-dimensional structure. Reversing the classical approach to the sequence,structure,function paradigm, in this paper we report novel information obtained by comparing the physicochemical parameters of SV-IV with two datasets composed of intrinsically unfolded and ideally globular proteins. In addition, we analyse the SV-IV sequence by several publicly available disorder-oriented predictors. Overall, disorder predictions and a re-examination of existing experimental data strongly suggest that SV-IV needs large plasticity to efficiently interact with the different targets that characterize its multifaceted biological function, and should therefore be better classified as an intrinsically disordered protein. [source] Biophysical characterization of synthetic rhamnolipidsFEBS JOURNAL, Issue 22 2006Jörg Howe Synthetic rhamnolipids, derived from a natural diacylated glycolipid, RL-2,214, produced by Burkholderia (Pseudomonas) plantarii, were analyzed biophysically. Changes in the chemical structures comprised variations in the length, the stereochemistry and numbers of the lipid chains, numbers of rhamnoses, and the occurrence of charged or neutral groups. As relevant biophysical parameters, the gel (,) to liquid crystalline (,) phase behavior of the acyl chains of the rhamnoses, their three-dimensional supramolecular aggregate structure, and the ability of the compounds to intercalate into phospholipid liposomes in the absence and presence of lipopolysaccharide-binding protein were monitored. Their biological activities were examined as the ability to induce cytokines in human mononuclear cells and to induce chemiluminescence in monocytes. Depending on the particular chemical structures, the physicochemical parameters as well as the biological test systems show large variations. This relates to the acyl chain fluidity, aggregate structure, and intercalation ability, as well as the bioactivity. Most importantly, the data extend our conformational concept of endotoxicity, based on the intercalation of naturally originating amphiphilic virulence factors into membranes from immune cells. This ,endotoxin conformation', produced by amphiphilic molecules with a hydrophilic charged backbone and apolar hydrophobic moiety, and adopting inverted cubic aggregate structures, causes high mechanical stress in target immune cells on integral proteins, eventually leading to cell activation. Furthermore, biologically inactive rhamnolipids with lamellar aggregate structures antagonize the endotoxin-induced activity in a way similar to lipid A-derived antagonists. [source] Karst Spring Responses Examined by Process-Based ModelingGROUND WATER, Issue 6 2006Steffen Birk Ground water in karst terrains is highly vulnerable to contamination due to the rapid transport of contaminants through the highly conductive conduit system. For contamination risk assessment purposes, information about hydraulic and geometric characteristics of the conduits and their hydraulic interaction with the fissured porous rock is an important prerequisite. The relationship between aquifer characteristics and short-term responses to recharge events of both spring discharge and physicochemical parameters of the discharged water was examined using a process-based flow and transport model. In the respective software, a pipe-network model, representing fast conduit flow, is coupled to MODFLOW, which simulates flow in the fissured porous rock. This hybrid flow model was extended to include modules simulating heat and reactive solute transport in conduits. The application of this modeling tool demonstrates that variations of physicochemical parameters, such as solute concentration and water temperature, depend to a large extent on the intensity and duration of recharge events and provide information about the structure and geometry of the conduit system as well as about the interaction between conduits and fissured porous rock. Moreover, the responses of solute concentration and temperature of spring discharge appear to reflect different processes, thus complementing each other in the aquifer characterization. [source] Physicochemical and sensory quality of wines from red sorrel/roselle (Hibiscus sabdariffa L.) calyces: effects of pretreatments of pectolase and temperature/timeINTERNATIONAL JOURNAL OF FOOD SCIENCE & TECHNOLOGY, Issue 4 2007Pascale Mounigan Summary The effects of pretreating red sorrel (Hibiscus sabdariffa L.) calyces on the physicochemical and sensory quality of wines were investigated. Sorrel calyces were processed at 60 °C for 3.5 h or 90 °C for 30 min at 0%, 0.5% and 1.0% w/w pectolase addition in fermentation of wines. Significant changes (P < 0.01) in all physicochemical parameters of sorrel wines were found during fermentation, but not (P > 0.05) because of temperature/time effects. Colour (P < 0.01) became redder with pectolase and on storage at 23 °C for 2 months. Significant differences (P < 0.01) were noted in sensory quality for taste and flavour, balance, duration and overall quality. Higher (P < 0.01) overall sensory quality scores were obtained for wines by pretreatment at 90 °C for 30 min (10.44,11.06/20) when compared with wines at 60 °C for 3.5 h (6.88,9.06/20). Colour of wines from 90 °C/30 min was most saturated and red than all wines and had pH 2.57 ± 0.01, 0.43 ± 0.07% citric acid, 10.53 ± 0.53 °Bx and 15.29 ± 0.71% alcohol. [source] Study of selected quality and agronomic characteristics and their interrelationship in Kabuli-type chickpea genotypes (Cicer arietinum L.)INTERNATIONAL JOURNAL OF FOOD SCIENCE & TECHNOLOGY, Issue 2006Amal Badshah Khattak Summary Impact of genotype on quality, agronomic characteristics and their interrelationship in Kabuli-type chickpea was investigated to provide significant feedback to breeder for selection/evolution of the most suitable varieties. Seven genotypes were studied for seventeen physical, chemical and agronomic characteristics. The effect of Kabuli-type chickpea genotype on the physicochemical parameters, cooking time and agronomic characteristics were significant. Maximum seed size and volume were recorded for CC98/99 (0.32 g and 0.26 mL seed,1, respectively), density and swelling index for the genotype FLIP97-179C (having minimum seed size and volume), while the rest of the genotypes were statistically the same. Weight, volume after hydration, hydration capacity and swelling capacity followed the same pattern. Maximum moisture, protein and mineral concentration were noted in CC98/99. Seed protein concentration for the remaining genotypes was statistically non-significant from one another. Longer period was taken by CM 2000 for flowering and maturity (130 and 181 days, respectively). Minimum time to flowering and maturity was taken by CC98/99. Genotype CC 98/99 outyielded all other genotypes (2107 kg ha,1). Seed size and seed volume were strongly and positively correlated with protein content, weight after hydration, volume after hydration, hydration and swelling capacities (r = 0.83,1.0). Strong correlation was also noted among different agronomic characters. [source] Use of a PGU1 recombinant Saccharomyces cerevisiae strain in oenological fermentationsJOURNAL OF APPLIED MICROBIOLOGY, Issue 5 2000M. Vilanova Aim: The aim of this work was the construction of an oenological Saccharomyces cerevisiae strain able to overexpress the PGU1 gene in order to be used in trial fermentations. Methods and Results: The recombinant strain is able to secrete an active endopolygalacturonase into the medium leaving its fermentation ability essentially unchanged. Wines obtained with the recombinant strain and the untransformed counterpart did not differ in their physicochemical parameters or major sensory characteristics. The time needed for wine filtration was dramatically reduced in wines elaborated with the PGU1 recombinant strain, and was comparable to the filtration time shown by wines elaborated from must supplemented with fungal pectolytic enzymes. Conclusions: The oenological strain constructed in this work secretes an endopolygalacturonase into the wine in an efficient manner, resulting in an improvement in wine filtration but preserving wine typicality and keeping the methanol levels unchanged. Significance and Impact of the Study: The PGU1 recombinant strains could be used in oenological fermentations as an alternative to commercial pectolytic enzymes of fungal origin. [source] THE COMPOSITION OF TWO SPANISH PEPPER VARIETIES (FRESNO DE LA VEGA AND BENAVENTE-LOS VALLES) IN DIFFERENT RIPENING STAGESJOURNAL OF FOOD QUALITY, Issue 6 2008ANA BERNARDO ABSTRACT The chemical composition of two traditional varieties of Spanish peppers, "Fresno de la Vega" and "Benavente-Los Valles" harvested in the provinces of León and Zamora, respectively, at different ripening stages (green mature, breaker and red) were evaluated. Herein we report the global composition, mineral and trace element contents, and the most relevant physicochemical parameters of each variety of pepper collected in 2 consecutive years. Both pepper varieties showed a similar chemical composition, except in vitamin C content, which resulted to be about 70% higher in Fresno de la Vega peppers. Red ripe fruits were high in total carbohydrates, fructose, glucose, sucrose, fat (64.5, 29.14, 25.57, 2.94, 1.79/100 g dry weight, respectively) and total soluble solids (6.83°Brix). Ascorbic acid content also increased progressively during ripening, reaching a mean value of 1.81 mg/100 g dry weight for Fresno de la Vega peppers. Potassium was the most abundant of the analyzed elements in the all samples, followed by phosphorus, magnesium, calcium and sodium. The order of the levels of the trace elements was iron > manganese > zinc > copper. PRACTICAL APPLICATIONS This report underscores the potential value of two traditional varieties of Spanish peppers and provides information on their composition during ripening to decide the proper harvesting time, which can be useful in the food industry. [source] Assessment of Relationships between Sensory and Instrumental Quality of Controlled-atmosphere-stored ,Fuji' Apples by Multivariate AnalysisJOURNAL OF FOOD SCIENCE, Issue 9 2004G. Echeverría ABSTRACT: Physicochemical parameters, sensory attributes, and total aroma emission of ,Fuji' apples (Malus×domestica Borkh.) were studied in relation to storage conditions, storage duration, and shelf life period. Commercially ripe fruit were analyzed after 3, 5, and 7 mo of cold storage in normal atmosphere (AIR) (210 L/m3 O2+ 0.3 L/m3 CO2) or under 3 different controlled atmosphere (CA) treatments (10 L/m3 O2+ 10 L/m3 CO2, 20 L/m3 O2+ 20 L/m3 CO2, or 10 L/m3 O2+ 30 L/m3 CO2), after which apples were kept at 20 °C for 1, 5, and 10 d. Data were subjected to partial least square regression (PLSR) analysis. Physicochemical parameters were well preserved throughout storage, especially in CA-stored apples; however, these apples showed lower total aroma emission. Sensory acceptability was also higher for CA-stored fruit after 7 mo of storage, whereas no significant differences were found for shorter storage periods. Accordingly, greater scores in sensory firmness, sensory flavor, sensory acidity, and appearance were observed for fruit stored in 10 L/m3 O2+ 10 L/m3 CO2 after long storage. Two PLSR models were established, 1 for relating physicochemical parameters to overall acceptability, and another for assessing the correlation between sensory acidity and instrumentally measured titratable acidity. The 1st PLSR model indicated that soluble solids concentration, titratable acidity, flesh firmness, and background color of the shaded side have a positive influence on acceptability. The 2nd model indicated that sensory acidity also showed an excellent correlation to instrumentally measured titratable acidity. [source] Machine learning approaches for prediction of linear B-cell epitopes on proteinsJOURNAL OF MOLECULAR RECOGNITION, Issue 3 2006Johannes Söllner Abstract Identification and characterization of antigenic determinants on proteins has received considerable attention utilizing both, experimental as well as computational methods. For computational routines mostly structural as well as physicochemical parameters have been utilized for predicting the antigenic propensity of protein sites. However, the performance of computational routines has been low when compared to experimental alternatives. Here we describe the construction of machine learning based classifiers to enhance the prediction quality for identifying linear B-cell epitopes on proteins. Our approach combines several parameters previously associated with antigenicity, and includes novel parameters based on frequencies of amino acids and amino acid neighborhood propensities. We utilized machine learning algorithms for deriving antigenicity classification functions assigning antigenic propensities to each amino acid of a given protein sequence. We compared the prediction quality of the novel classifiers with respect to established routines for epitope scoring, and tested prediction accuracy on experimental data available for HIV proteins. The major finding is that machine learning classifiers clearly outperform the reference classification systems on the HIV epitope validation set. Copyright © 2006 John Wiley & Sons, Ltd. [source] Electrostatics of pharmaceutical inhalation aerosolsJOURNAL OF PHARMACY AND PHARMACOLOGY: AN INTERNATI ONAL JOURNAL OF PHARMACEUTICAL SCIENCE, Issue 12 2009Philip Chi Lip Kwok Abstract Objectives This review focuses on the key findings and developments in the rapidly expanding research area of pharmaceutical aerosol electrostatics. Key findings Data from limited in-vivo and computational studies suggest that charges may potentially affect particle deposition in the airways. Charging occurs naturally in the absence of electric fields through triboelectrification, that is contact or friction for solids and flowing or spraying for liquids. Thus, particles and droplets emitted from pulmonary drug delivery devices (dry powder inhalers, metered dose inhalers with or without spacers, and nebulisers) are inherently charged. Apparatus with various operation principles have been employed in the measurement of pharmaceutical charges. Aerosol charges are dependent on many physicochemical parameters, such as formulation composition, device construction, relative humidity and solid-state properties. In some devices, electrification has been purposefully applied to facilitate powder dispersion and liquid atomisation. Summary Currently, there are no regulatory requirements on characterising electrostatic properties of inhalation aerosols. As research in this area progresses, the new knowledge gained may become valuable for the development and regulation of inhalation aerosol products. [source] Ion-pair Formation as a Strategy to Enhance Topical Delivery of Salicylic AcidJOURNAL OF PHARMACY AND PHARMACOLOGY: AN INTERNATI ONAL JOURNAL OF PHARMACEUTICAL SCIENCE, Issue 8 2000STELLA A. MEGWA An in-vitro study was carried out to determine the possibility of improving the efficiency of transdermal delivery of salicylate through human epidermis by ion-pair formers (alkylamines and quaternary ammonium ions). Further, the relationship between the physico-chemical properties of the counter-ions and salicylate flux was examined. It was found that flux can be related to the conductivity associated with the penetrant solution, molecular size of the counter-ion and lipophilicity expressed as either octanol/water partition coefficient of the ion pairs or the carbon chain-length of the counter-ions. Equations have been developed to predict salicylate flux from these physicochemical parameters. [source] Photopolymerization with microscale resolution: Influence of the physico-chemical and photonic parametersJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 11 2008Olivier Soppera Abstract This article is aimed at demonstrating that physicochemical parameters can be used to control the spatial extent (length, width, and shape) of polymer objects in view of micro- and nano-fabrication applications. In particular, we showed that oxygen quenching and internal filter effects could be turned to advantage to modulate the response of the material by controlling the threshold energy of polymerization and/or the shape of the light into the photopolymerizable medium. The experimental configuration used in this study is based on light-induced polymerization at the extremity of an optical fiber that produces polymer micro-objects after development. Spectroscopic approaches and polymerization threshold measurements were performed to quantitatively evaluate the influence of the physicochemical parameters on the micropatterning of photopolymerizable material. Interestingly, fluorescence that is usually regarded as a process competing with photopolymerization reaction, was used for controlling the fabrication process. By this means, it was possible to better understand the impact of a nonhomogeneous irradiation on photopolymerization process and thus, to tune the shape and the size of the final polymer objects. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 3783,3794, 2008 [source] A theoretical explanation for the retention mechanism of ion exclusion chromatographyJOURNAL OF SEPARATION SCIENCE, JSS, Issue 17 2003Bronis, aw K. G Abstract Ion Exclusion Chromatography is classically used for the separation of weak acid anions. Dilute strong acids (e.g. sulphuric or perchloric acid) or just water are used as eluents. To increase the exclusion effect, strong cation exchangers, characterized by high concentration of functional groups, are applied. The inner column volume of commercially available columns is increased by increasing their size in comparison to traditional ones (usually 300×7.8 mm ID). The description of the retention mechanism of this technique implicitly assumes that both mobile and stationary phases are typical aqueous solutions, and their dielectric constants are thus equal. This equality implies the equality of solute dissociation constants in both phases. Another implicit assumption is that the dead- and inner volumes of the column are constant, and independent of the mobile phase composition. The present paper shows that stationary and mobile phases are generally characterized by different physicochemical parameters. Thus, they cannot be considered as regular aqueous solutions. Additionally, we show that weak cation exchanger resins, which are characterized by a relatively small concentration of the functional groups, and weak acid based buffers can also be used in IEC. This would expand the possible applications of this method and enable, for example, the separation of strong acids (anions). The influence of ionic strength on the retention and dead- and inner column volumes is also discussed. Finally we also briefly describe the retention mechanism of Electrostatic Ion Chromatography. [source] Impact of enzymatic treatment on chemical composition, physicochemical properties and radical scavenging activity of goldenberry (Physalis peruviana L.) juiceJOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 3 2007Mohamed Fawzy Ramadan Abstract Tropical pulpy juices play an important role in nutrition as an excellent base for low-calorie and dietetic products. Goldenberry (Physalis peruviana L.) is one of the most promising exotic fruits and many interesting functional products could be developed from these berries. In this work we are reporting, for the first time, on the chemical composition and some physicochemical parameters of the goldenberry fruit juice. We have also investigated how some of these properties are affected by enzymatic treatment and pasteurisation. By enzymation, not only is the yield of juice increased, but also the macro- and micro-components. Application of enzymes, moreover, leads to juices with higher pulp content, higher acidity and higher total soluble solids. On the other side, enzyme-treated juices were characterised by lower alcohol-soluble solids and pH values. Water- and fat-soluble bioactives were estimated in appreciable amounts in the juice. The antioxidative potential of different processed juices was assessed by means of bleaching of the stable 1,1-diphenyl-2-picrylhydrazyl radicals and the resulting values were correlated with each of the antioxidant compounds. The results obtained can be considered very satisfactory and the juice could be widely appreciated when compared with other products commonly available on the market. The data are helpful for the optimisation of goldenberry juice production. It was the purpose to present a comprehensive assessment of the goldenberry juice and to address the potential for its delivery in functional drinks. Copyright © 2006 Society of Chemical Industry [source] Application of agglomerative hierarchical clustering to identify consumer tomato preferences: influence of physicochemical and sensory characteristics on consumer responseJOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 4 2006Marta Serrano-Megías Abstract A multiple regression model was developed to predict the acceptability of the four tomato varieties studied (Aranka, Cherry, Beef and Pitenza). Agglomerative hierarchical clustering showed the presence of four consumer clusters. One cluster preferred small tomatoes (Aranka and Cherry) and another cluster the larger tomatoes (Beef and Pitenza). In the sensorial analysis Aranka was the preferred variety, scoring more highly in taste, odour, acidity, sweetness and hardness. In the physicochemical analysis Aranka also obtained the highest values for titratable acidity (TA) and sugars (SSC), confirming that these parameters are important in tomato flavour. Lower values for both sets of parameters were reflected by lower consumer acceptability, with Beef and Pitenza receiving the lowest score for these flavours attributes (except odour). A significant correlation between the sensorial and physicochemical parameters was also observed: odour was positively correlated with calibre, while taste, acidity, hardness and acceptability were negatively correlated with calibre, pH and SSC/TA and positively correlated with SSC and TA. Copyright © 2005 Society of Chemical Industry [source] Impact of high-pressure and traditional thermal processing of tomato purée on carotenoids, vitamin C and antioxidant activityJOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 2 2006Concepción Sánchez-Moreno Abstract Bioactive compounds (carotenoids and vitamin C) and 2,2-diphenyl-1-picrylhydrazyl radical (DPPH,) scavenging activity [50% depletion of initial DPPH, radical (EC50) and antiradical efficiency (AE)], in aqueous (AQ) and organic (OR) fractions, were measured in tomato purée subjected to high-pressure (HP) (400 MPa/25 °C/15 min), low pasteurisation (LPT) (70 °C/30 s), high pasteurisation (HPT) (90 °C/1 min), freezing (F) (,38 °C/15 min), and HPT plus F (HPT + F). In addition, physical and physicochemical parameters were evaluated. CIELab uniform colour space parameters (lightness, L*; green-red tonality, a*; and blue-yellow tonality, b*) were significantly higher both in the untreated and in the HP tomato purée than in the rest of the samples. Individual and total carotenoids, and provitamin A carotenoids, were significantly higher in HP tomato purée than in the untreated and other treated tomato purées. Ascorbic acid and total vitamin C were significantly lower in HP, LPT, HPT, and HPT + F tomato purées than in the untreated and F purées. In the AQ fractions, we found an inverse significant correlation between both ascorbic acid and total vitamin C and EC50AQ; and a positive significant correlation with AEAQ. In the OR fractions, a significant correlation was found between EC50OR and AEOR parameters and lycopene and total carotenoids. Total scavenging activity (AQ + OR fractions) in HP tomato purée was similar to that in LPT, HPT, and HPT + F purées. Copyright © 2005 Society of Chemical Industry [source] Characterisation of avocado (Persea americana Mill) honeys by their physicochemical characteristicsJOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 13 2004Anass Terrab Abstract The quality of 12 avocado (Persea americana Mill) honeys from Spain was evaluated. Eight common physicochemical parameters were analysed, namely water content, pH, acidity (free, lactonic and total), sugar content, ash content and electrical conductivity. In addition, the honey samples were analysed using inductively coupled plasma optical emission spectrometry (ICP-OES), and six minerals were quantified for each honey, namely potassium (K), calcium (Ca), magnesium (Mg), sodium (Na), phosphorus (P) and sulphur (S). Most samples showed proper maturity considering the medium water content (mean 17.7%). The total acidity (below 50 meq kg,1 except for one sample) indicated absence of undesirable fermentation; also, the mean pH of around 4.77 is usual in this kind of honey. The values for ash content and electrical conductivity were high (0.77% and 798 µS cm,1 respectively) and typical of dark honeys. K was the predominant mineral (accounting for 73% of the total minerals quantified), followed by Na (10%). Copyright © 2004 Society of Chemical Industry [source] Compositional and degradative changes during the manufacture of dry-cured ,lacón'JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 6 2003José M Lorenzo Abstract The gross and mineral composition, the main physicochemical parameters, the protein extractability and the proteolytic (nitrogen fractions and free amino acids) and lipolytic (acidity index and free fatty acids) changes were studied throughout the manufacturing process of five batches of dry-cured ,lacón', a traditional Spanish meat product made from the fore-ham of the pig following a similar technological process to that of dry-cured ham. The main compositional characteristics of this product are the high NaCl content and the low moisture content at the end of the curing process. The pH remained fairly stable (around 6) throughout the whole process and a fall in aw was observed, reaching very low (0.767 ± 0.052) final average values. It was noted that 76% of the sarcoplasmic and 83% of the myofibrillar proteins became insoluble during the manufacturing process. The values of the different nitrogen fractions increased in a significant manner during manufacture, reaching low final values that indicate that ,lacón' undergoes a low level of proteolysis in comparison with other products manufactured by similar technologies. The high NaCl content and the intense dehydration suffered during the manufacturing process appear to be the principal causes of this reduced protein degradation. In accordance with the limited increase in the ,-amino acidic nitrogen during ripening, the total free amino acid content increased slightly but significantly from average values of 4371 mg kg,1 dry matter in fresh pieces to average values of 13 020 mg kg,1 dry matter in pieces at the end of the ripening process. The profile of free amino acids in the final product was similar to that observed by other authors in dry-cured ham. The acidity of the fat increased by a factor of five. The final average values (49.9 g oleic acid kg,1) were lower than those determined in dry-cured ham, which indicates that ,lacón' undergoes less lipolysis during the ripening process than dry-cured ham. C18 : 1, C18 : 2 and C16 were the most intensively released fatty acids during curing. The profile of free fatty acids in the end product was in agreement with that observed by other authors in dry-cured ham. Copyright © 2003 Society of Chemical Industry [source] CODES/Neural Network Model: a Useful Tool for in Silico Prediction of Oral Absorption and Blood-Brain Barrier Permeability of Structurally Diverse DrugsMOLECULAR INFORMATICS, Issue 2-3 2004Isabel Dorronsoro Abstract Two different neural network models able to predict both oral absorption (OA) and blood-brain barrier (BBB) permeability of structurally diverse drugs in use clinically are presented here. Using the descriptors generated by CODES, a program which codifies molecules from a topological point of view, we avoid the uncertain choice of molecular conformation and physicochemical parameters. In this work, a method called Reduction of Dimensions, designed for compressing data, is applied for the first time in order to minimize the bias factor added to a QSAR study when the selection of descriptors are performed. [source] Analysis of water solubility data on the basis of HYBOT descriptors.MOLECULAR INFORMATICS, Issue 9-10 2003Part 1. Abstract This work describes the analysis of water-gas phase partitioning data Lw=Cw/Cg for 559 organic chemicals on the basis of physicochemical descriptors calculated by the HYBOT program package. Physicochemical descriptors combined with indicator variables as well as a new approach combining traditional QSAR and molecular similarity are used to take structural features into account. The H-bond acceptor ability of chemicals (i.e. interaction of acceptor atoms with hydrogen atoms of water) is the main factor that influences the partitioning of vapors into water. The simultaneous consideration of H-bond acceptor and donor factors leads to a description of the solubility of vapors with a correlation coefficient of about 0.92. The influence of steric interactions of solutes (characterized by means of molecular polarizability) with water molecules contributes slightly but significantly from the statistics point of view. The use of a set of indicator variables for hydrocarbons and for molecules containing amino, amido, CX3, ether and nitro groups as well as for molecules with ability to form intramolecular hydrogen bonds improves the correlation and helps to take structural features into account. Furthermore, the application of an approach based on the calculation of additional contributions to solubility by considering ,nearest neighbor chemicals' and their difference in physicochemical parameters gives in many cases good results and could be very useful in the analysis of vast data sets. [source] | ||||||||||||||||||||||