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Hydroxyl
Terms modified by Hydroxyl Selected AbstractsESR SPECTROSCOPY INVESTIGATION OF ANTIOXIDANT ACTIVITY AND PROTECTIVE EFFECT ON HYDROXYL RADICAL-INDUCED DNA DAMAGE OF ENZYMATIC EXTRACTS FROM PICRORRHIZA KURROAJOURNAL OF FOOD BIOCHEMISTRY, Issue 6 2008SOUNG-HEE CHOI ABSTRACT The potential antioxidant activity of enzymatic extracts from Picrorrhiza kurroa was evaluated on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical, hydroxyl radical and alkyl radical-scavenging activities using an electron spin resonance spectrometer (JEOL Ltd., Tokyo, Japan). P. kurroa was enzymatically hydrolyzed by seven carbohydrases and five proteases to prepare water-soluble extracts. The DPPH radical-scavenging activities of the pancreatic trypsin and Amyloglucosidase (AMG) (artificial carbohydrase by Novozyme Nordisk, Bagsvaerd, Denmark) extracts from P. kurroa were the highest among protease and carbohydrase extracts, and 50% inhibitory concentration (IC50) values were 35.58 and 29.03 µg/mL, respectively. The hydroxyl radical-scavenging activity of the Protamex and Viscozyme extracts from P. kurroa were the highest scavenging activities, and the IC50 values were 0.46 and 1.89 mg/mL, respectively. In addition, the Protamex and Maltogenase extracts from P. kurroa showed the highest alkyl radical-scavenging activities, and the IC50 values were 18.03 and 10.66 µg/mL, respectively. The protective effect of the Protamex extracts from P. kurroa on DNA damage which was free radical-induced was 92% at 3 mg/mL. These results indicate that enzymatic extracts of P. kurroa show potent antioxidant activity. PRACTICAL APPLICATIONS Picrorrhiza kurroa could be used to produce protein and carbohydrate extracts with antioxidative activity. Many industrial commercial enzymes such as Promozyme, Celluclast 1.5 L FG, Maltogenase L, Viscozyme L, Termamyl SC, Dextrozyme E, AMG 300 L, Protamex, Flavourzyme 500 MG, Neutrase 0.8 L, Pancreatic Trypsin and Alcalase 2.4 L could be also used to attain the extracts processing the high antioxidative activity. The extracts can be used as natural antioxidants. [source] Sumatriptan Scavenges Superoxide, Hydroxyl, and Nitric Oxide Radicals: In Vitro Electron Spin Resonance StudyHEADACHE, Issue 9 2002DMSc, Yukio Ikeda MD Background.,The molecular mechanisms of migraine have not yet been clarified. Oxygen free radicals have been implicated in the genesis of many pathological processes, including migraine. Sumatriptan succinate is known to be a very effective drug for acute relief of migraine attack. Objective.,To investigate the direct scavenging activities of sumatriptan for superoxide, hydroxyl, and nitric oxide (NO) radicals using electron spin resonance (ESR) spectroscopy. Methods.,Measurement of superoxide and hydroxyl radical scavenging activities was performed by ESR using 5,5-dimethyl-1-pyrroline- N -oxide as a spin trap. NO was generated from 1-hydroxy-2-oxo-3-(N -3-methyl-3-aminopropyl)-3-methyl-1-triazene and analyzed by 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl produced from the reaction between 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide and NO. Results.,The ESR study demonstrated that sumatriptan scavenged superoxide, hydroxyl, and NO in a dose-dependent manner. Conclusion.,Sumatriptan has direct scavenging activity on free radicals and NO. Acute migraine drugs with antioxidant properties may provide heretofore unheralded benefits via this mechanism. [source] Kevlar and glass fiber treatment for thermoplastic composites by step polycondensationPOLYMER COMPOSITES, Issue 3 2007H. Salehi-Mobarakeh Nylon-6,6 was grafted at the surface of glass and plasma-treated Kevlar fibers for use in nylon,Kevlar thermoplastic composites. Hydroxyl and, in the case of Kevlar, amine end-groups occur at the fibre surface, either as defects or due to the plasma treatment. These were used as anchor points for nylon-6,6 step polycondensation. Fibers were subjected to successive dipping in adipoyl chloride/CH2Cl2 and aqueous hexamethylenediamine solutions in order to attach and grow high molecular weight polymer on the fiber surface. Grafted nylon was characterized by Fourier transform infrared spectroscopy, proton nuclear magnetic resonance, differential scanning calorimetry and thermogravimetry. It was shown that no backbiting occurred during the first stage of the grafting process and that the polymer quantity increased linearly with number of passes, up to ,50 passes for plasma-treated Kevlar and 100 for glass fibers, after which polymer quantity remained constant, within experimental error, which was attributed to the onset of termination reactions. POLYM. COMPOS., 28:278,286, 2007. © 2007 Society of Plastics Engineers [source] Remote Interactions Explain the Unusual Regioselectivity of Lipase from Pseudomonas cepacia toward the Secondary Hydroxyl of 2,-DeoxynucleosidesCHEMBIOCHEM, Issue 4 2006Iván Lavandera Dr. Abstract Lipase from Pseudomonas cepacia (PCL) surprisingly favors acylation of the secondary hydroxyl at the 3,-position over the primary hydroxyl at the 5,-position in 2,-deoxynucleosides by up to >98:1. Catalytically productive tetrahedral intermediate analogues for both orientations were found by molecular modeling. However, acylation of the 3,-hydroxyl places the thymine base in the alternate hydrophobic pocket of PCL's substrate-binding site where it can hydrogen bond to the side-chain hydroxyls of Tyr23 and Tyr29 and the main chain carbonyl of Leu17. Conversely, acylation of the 5,-hydroxyl leaves the thymine base in the solvent where there is no favorable binding to the enzyme. We propose that these remote stabilizing interactions between the thymine base and PCL's substrate-binding site stabilize the 3,-acylation transition state and thus account for the unusual regioselectivity. [source] ChemInform Abstract: Partial Substitution of Hydroxyl by Azide: An Unprecedented 2D Azido,Copper,Hydroxyl Compound with a [Cu24] Macrocycle in the Presence of [Cu(H2O)6]2+.CHEMINFORM, Issue 44 2008Yong-Fei Zeng Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is trackable via the "References" option. [source] Development of spray- and freeze-dried high-concentration sesamol emulsions and antioxidant evaluation in fibroblasts and UV-exposed rat skin slicesDRUG DEVELOPMENT RESEARCH, Issue 5 2008Juliana Alencar Abstract Dry sesamol emulsions were synthesized from several combinations of saccharose with hydroxypropylmethylcellulose (HPMC) or sodium caseinate (SC) using spray-drying techniques at 120° to 180°C, or freeze-drying. On the basis of physical characteristics such as droplet size distribution, residual moisture, and microscopic structure, the best material was obtained when spray-drying was applied at either 150° or 180°C with SC or HPMC as excipients, respectively. The extent to which the antioxidant properties of free sesamol towards a set of free radicals (galvinoxyl, diphenylpicrylhydrazyl, superoxide, and hydroxyl) were altered in the starting and reconstituted liquid emulsions submitted to normal storage or pre-exposed to a flux hydroxyl radicals was investigated. Emulsions were further evaluated for their antioxidant properties in cultured 3T3 murine fibroblasts and in an ex vivo model of ultraviolet irradiated rat skin. It was found that, in the material having the best physical properties, encapsulation was decisive in: (1) improving the overall antioxidant behavior of reconstituted versus starting liquid emulsions: (2) sparing sesamol consumption due to free radical attack; and (3) significantly protecting cells and skin against free radical- or irradiation-induced enzymatic release and/or lipid peroxidation. Demonstrating a high activity at high dilutions where interactions of excipient become negligible, the new emulsions could be of great interest in sesamol-based pharmacology or topical applications. Drug Dev Res 69:251,266, 2008. © 2008 Wiley-Liss, Inc. [source] Effect of mangiferin on radiation-induced micronucleus formation in cultured human peripheral blood lymphocytesENVIRONMENTAL AND MOLECULAR MUTAGENESIS, Issue 1 2005Ganesh Chandra Jagetia Abstract Irradiation causes a variety of lesions in important biomolecules of the cell through generation of free radicals leading to genomic instability. DNA strand breaks, acentric fragments, or defective kinetochores are manifested as micronuclei after the first cell division. Chemicals that can trap free radicals may reduce the deleterious effects of ionizing radiation. Mangiferin (MGN), a glucosylxanthone derived from Mangifera indica (mango), was investigated for its ability to reduce the frequency of radiation-induced micronucleated binucleate cells (MNBNCs) in cultured human peripheral blood lymphocytes (HPBLs). HPBL cultures were pretreated with 0, 5, 10, 20, 50, and 100 ,g/ml of MGN for 30 min before exposure to 3 Gy of 60Co ,-radiation. The maximum decline in radiation-induced micronuclei was observed at a concentration of 50 ,g/ml MGN; thereafter, a nonsignificant elevation in MNBNC frequency was observed at 100 ,g/ml MGN. Since the lowest MNBNC frequency was observed for 50 ,g/ml MGN, dose-response studies were undertaken using this concentration. Irradiation of HPBLs with 0, 1, 2, 3, or 4 Gy of ,-radiation caused a dose-dependent elevation in the MNBNC frequency, while treatment of HPBLs with 50 ,g/ml MGN 30 min before radiation resulted in significant declines in these frequencies. MGN alone did not alter the proliferation index. Irradiation caused a dose-dependent decline in the proliferation index, while treatment of HPBLs with 50 ,/ml MGN significantly elevated the proliferation index in irradiated cells. MGN treatment reduced hydrogen peroxide-induced lipid peroxidation in HPBLs in a concentration-dependent fashion. In cell-free studies, MGN inhibited the induction of ·OH (hydroxyl), O2·, (superoxide), DPPH (1,1-diphenyl-2-picrylhydrazyl), and ABTS·+ (2,2-azino-bis-3-ethyl benzothiazoline-6-sulphonic acid) radicals in a dose-dependent manner. The results of this study indicate that MGN possesses radioprotective properties by suppressing the effects of free radicals. Environ. Mol. Mutagen. 45:000,000, 2005. © 2005 Wiley-Liss, Inc. [source] Factors influencing the partitioning and toxicity of nanotubes in the aquatic environment,,ENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 9 2008Alan J. Kennedy Abstract Carbon nanotubes (NTs) may be among the most useful engineered nanomaterials for structural applications but could be difficult to study in ecotoxicological evaluations using existing tools relative to nanomaterials with a lower aspect ratio. Whereas the hydrophobicity and van der Waals interactions of NTs may suggest aggregation and sedimentation in aquatic systems, consideration regarding how engineered surface modifications influence their environmental fate and toxicology is needed. Surface modifications (e.g., functional groups and coatings) are intended to create conditions to make NTs dispersible in aqueous suspension, as required for some applications. In the present study, column stability and settling experiments indicated that raw, multiwalled NTs (MWNTs) settled more rapidly than carbon black and activated carbon particles, suggesting sediment as the ultimate repository. The presence of functional groups, however, slowed the settling of MWNTs (increasing order of stability: hydroxyl > carboxyl > raw), especially in combination with natural organic matter (NOM). Stabilized MWNTs in high concentrations of NOM provided relevance for water transport and toxicity studies. Aqueous exposures to raw MWNTs decreased Ceriodaphnia dubia viability, but such effects were not observed during exposure to functionalized MWNTs (>80 mg/L). Sediment exposures of the amphipods Leptocheirus plumulosus and Hyalella azteca to different sizes of sediment-borne carbon particles at high concentration indicated mortality increased as particle size decreased, although raw MWNTs induced lower mortality (median lethal concentration [LC50], 50 to >264 g/kg) than carbon black (LC50, 18,40 g/kg) and activated carbon (LC50, 12,29 g/kg). Our findings stress that it may be inappropriate to classify all NTs into one category in terms of their environmental regulation. [source] Organohalogen contaminants and reproductive hormones in incubating glaucous gulls (Larus hyperboreus) from the Norwegian ArcticENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 11 2006Jonathan Verreault Abstract Organohalogen contaminants detected globally in avian wildlife, including populations from the Arctic, have been related to various reproductive hormone potencies, and altered hormonal balance and functions. Besides legacy organochlorine (OC) substances, that is, polychlorinated biphenyls (PCBs) and OC pesticides and by-products, endocrine-disruptive properties have been defined for chemicals of new and emerging environmental concern, such as polybrominated diphenyl ethers (PBDEs) and metabolically derived products like methylsulfonyl (MeSO2)- and hydroxyl (OH)-PCBs. We investigated the relationships between plasma concentrations of selected legacy OCs, PBDEs, and MeSO2 - and OH-PCB metabolites and the circulating reproductive hormones testosterone (T), 17,-estradiol (E2), and progesterone (P4) in incubating male and female glaucous gulls (Larus hyperboreus) from the Norwegian Arctic. Principal component and regression analyses demonstrated that P4 levels in male glaucous gulls were associated positively with variations of sum (,) PCB, dichloro-diphenyl-trichloroethane (,DDT), chlordane (,CHL), and ,PBDE concentrations, which were the most recalcitrant organohalogens determined in glaucous gulls. No such relationship was found for female glaucous gulls as well as between concentrations of any of the selected organohalogens and levels of T for both sexes. The E2 was not detected in any plasma samples. Present results were highly suggestive that exposure to high organohalogen concentrations in glaucous gulls, particularly the most persistent compound classes, may have the potential to interfere with steroidogenesis and impinge on circulating P4 homeostasis. Because significant effects were found in males exclusively, it cannot be completely ruled out that male glaucous gulls are more sensitive than females to organohalogen-mediated alteration of P4 synthesis and breakdown. [source] Use of a bench-top photochemical reactor and solid-phase microextraction to measure semivolatile organic compound-hydroxyl radical rate constantsENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 7 2000Mary Jo Bernhard Abstract It is increasingly important to be able to measure semivolatile organic compound-hydroxyl (SOC-OH) radical rate constants and estimate semivolatile organic compounds' (SOCs) atmospheric half-lives because of potential for atmospheric long-range transport. We have used a bench-top photochemical reactor, along with solid-phase microextraction (SPME) and ethyl nitrite, to successfully measure the rate constants of naphthalene, linalool, biphenyl, and phenanthrene with hydroxyl (OH) radical. Biphenyl and phenanthrene underwent wall loss in the reactor. The wall loss rates were determined and were used to correct the measured gas-phase rate constants. The reaction rate constants for naphthalene, linalool, biphenyl, and phenanthrene with OH radical, in our bench-top system at 295 ± 3 K, were determined to be 2.73 ± 0.37 × 10,11, 1.93 ± 0.24 × 10,10, 7.44 ± 1.9 × 10,12, 1.73 ± 0.21 × 10,11 (cm3/molecule/s), respectively, and were in excellent agreement with previous studies and model predictions. Based on the range of experimental and predicted rate constants for these reactants and an estimated average OH concentration in the atmosphere, the atmospheric half-lives of these SOCs are significantly less than 2 d. This indicates that the global presence of these compounds in the atmosphere is primarily due to regional sources and not to atmospheric long-range transport. This study shows that bench-top reactors, combined with corrections for reactant wall loss and simplified analytical tools (such as solid-phase microextraction), can be used to measure SOC-OH rate constants. [source] Antioxidant activity of six Portuguese thyme species essential oils,FLAVOUR AND FRAGRANCE JOURNAL, Issue 3 2010S. Anahi Dandlen Abstract The essential oils of Thymus caespititius, T. camphoratus, T. capitellatus, T. carnosus, T. pulegioides, T. zygis subsp. zygis and T. zygis subsp. sylvestris collected in different regions of Portugal, including the Azores islands, were evaluated for preventing lipid peroxidation and scavenging free radicals, and hydroxyl and superoxide anions. T. zygis subsp. zygis oil possessed the best capacity for preventing lipid peroxidation (IC50 = 0.030 ± 0.003,mg/ml), immediately followed by the oils isolated from T. zygis subsp. sylvestris collected in different regions of Portugal. IC50 values ranged from 0.066 ± 0.003 to 0.087 ± 0.001,mg/ml in oils isolated from samples from Alcanena and Duas Igrejas, respectively. The oils isolated from T. zygis subsp. sylvestris, independent of the harvesting region, were shown to be the most effective for scavenging free radicals (0.358,0.453,mg/ml). The best capacity for scavenging hydroxyl radicals was found in the oils of T. camphoratus collected in Espartal and of T. caespititius of Lordelo, with IC50 < 0.5,mg/ml. The low oil amount did not allow IC50 values for the superoxide anion scavenging determination, therefore considering a unique oil concentration (5,mg/ml), the highest inhibition percentages (?50%) were registered with the essential oils of T. zygis subsp. sylvestris from Duas Igrejas and Covão do Coelho, and of T. capitellatus from Sines. Copyright © 2010 John Wiley & Sons, Ltd. [source] Sumatriptan Scavenges Superoxide, Hydroxyl, and Nitric Oxide Radicals: In Vitro Electron Spin Resonance StudyHEADACHE, Issue 9 2002DMSc, Yukio Ikeda MD Background.,The molecular mechanisms of migraine have not yet been clarified. Oxygen free radicals have been implicated in the genesis of many pathological processes, including migraine. Sumatriptan succinate is known to be a very effective drug for acute relief of migraine attack. Objective.,To investigate the direct scavenging activities of sumatriptan for superoxide, hydroxyl, and nitric oxide (NO) radicals using electron spin resonance (ESR) spectroscopy. Methods.,Measurement of superoxide and hydroxyl radical scavenging activities was performed by ESR using 5,5-dimethyl-1-pyrroline- N -oxide as a spin trap. NO was generated from 1-hydroxy-2-oxo-3-(N -3-methyl-3-aminopropyl)-3-methyl-1-triazene and analyzed by 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl produced from the reaction between 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide and NO. Results.,The ESR study demonstrated that sumatriptan scavenged superoxide, hydroxyl, and NO in a dose-dependent manner. Conclusion.,Sumatriptan has direct scavenging activity on free radicals and NO. Acute migraine drugs with antioxidant properties may provide heretofore unheralded benefits via this mechanism. [source] The Reaction of Peroxynitrite with Morpholine (Secondary Amines) Revisited: The Overlooked Hydroxylamine FormationHELVETICA CHIMICA ACTA, Issue 10 2006Michael Kirsch Abstract The reaction of peroxynitrite/peroxynitrous acid with morpholine as a model compound for secondary amines is reinvestigated in the absence and presence of carbon dioxide. The concentration- and pH-dependent formation of N -nitrosomorpholine and N -nitromorpholine as reported in three previous papers ([25],[26],[14]) is basically confirmed. However, 13C-NMR spectroscopic product analysis shows that, in the absence of CO2, N -hydroxymorpholine is, at pH,,,7, the major product of this reaction, even under anaerobic conditions. The formation of N -hydroxymorpholine has been overlooked in the three cited papers. Additional (ring-opened) oxidation products of morpholine are also detected. The data account for radical pathways for the formation of these products via intermediate morpholine-derived aminyl and , -aminoalkyl radicals. This is further supported by EPR-spectrometric detection of morpholine-derived nitroxide radicals, i.e., morpholin-4-yloxy radicals. N -Nitrosomorpholine, however, is very likely formed by electrophilic attack of peroxynitrite-derived N2O4. 15N-CIDNP Experiments establish that, in the presence of CO2, N -nitro- and C -nitromorpholine are generated by radical recombination. The present results are in full accord with a fractional (28,±,2%) homolytic decay of peroxynitrite/peroxynitrous acid with release of free hydroxyl and nitrogen dioxide radicals. [source] Rate coefficients for the gas-phase reaction of hydroxyl radicals with the dimethylbenzaldehydesINTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 9 2006Grainne M. Clifford Rate coefficients for the reactions of hydroxyl (OH) radicals with the dimethylbenzaldehydes have been determined at 295 ± 2K and atmospheric pressure using the relative rate technique. Experiments were performed in an atmospheric simulation chamber using gas chromatography for chemical analysis. The rate coefficients (in units of cm3 molecule,1 s,1) are: 2,3-dimethylbenzaldehyde, (25.9 ± 2.8) × 10,12; 2,4-dimethylbenzaldehyde, (27.5 ± 4.4) × 10,12; 2,5-dimethylbenzaldehyde, (27.6 ± 5.1) × 10,12; 2,6-dimethylbenzaldehyde, (30.7 ± 3.0) × 10,12; 3,4-dimethylbenzaldehyde, (24.6 ± 4.0) × 10,12; and 3,5-dimethylbenzaldehyde, (28.2 ± 2.5) × 10,12. The reactivity of the dimethylbenzaldehydes is compared with other aromatic compounds and it is shown that the magnitude of the OH rate coefficients does not depend significantly on the position of the CH3 substituent on the aromatic ring. The rate coefficient data are explained in terms of known mechanistic features of the reactions and the atmospheric implications are also discussed. © 2006 Wiley Periodicals, Inc. Int J Chem Kinet 38: 563,569, 2006 [source] Catalytic hydrolysis of p -nitrophenyl picolinate by copper(II) and zinc(II) complexes of N-(2-deoxy-,-D-glucopyranosyl-2-salicylaldimino)INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 6 2002Xiang Yan D-glucosamine Schiff base N-(2-deoxy-,-D-glucopyranosyl-2-salicylaldimino) and its Cu(II) and Zn(II) complexes were synthesized and characterized. The hydrolysis of p -nitrophenyl picolinate (PNPP) catalyzed by ligand and complexes was investigated kinetically by observing the rates of the release of p -nitrophenol in the aqueous buffers at 25°C and different pHs. The scheme for reaction acting mode involving a ternary complex composed of ligand, metal ion, and substrate was established and the reaction mechanisms were discussed by metal,hydroxyl and Lewis acid mechanisms. The experimental results indicated that the complexes, especially the Cu(II) complex, efficiently catalyzed the hydrolysis of PNPP. The catalytic reactivity of the Zn(II) complex was much smaller than the Cu(II) complex. The rate constant kN showing the catalytic reactivity of the Cu(II) complex was determined to be 0.299 s,1 (at pH 8.02) in the buffer. The pKa of hydroxyl group of the ternary complex was determined to be 7.86 for the Cu(II) complex. © 2002 Wiley Periodicals, Inc. Int J Chem Kinet 34: 345,350, 2002 [source] Antioxidant activities of red pepper (Capsicum annuum) pericarp and seed extractsINTERNATIONAL JOURNAL OF FOOD SCIENCE & TECHNOLOGY, Issue 10 2008Ki Hyeon Sim Summary In this study, we examined the antioxidant activities of red pepper (Capsicum annuum, L.) pericarp and red pepper seed extracts. The extracts were evaluated by various antioxidant assays, including 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging, superoxide anion radical scavenging, hydroxyl radical scavenging, [2,2,-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid)] (ABTS) radical scavenging, ferrous chelating activity, superoxide dismutase (SOD) activity and reducing power, along with the determination of total phenolic and flavonoid contents. All the extracts showed strong antioxidant activity by the testing methods. The red pepper pericarp extract exhibited strong ferrous chelating activity and high scavenging activity against free radicals, including both the hydroxyl and DPPH radicals, but it exhibited weaker scavenging activity for the superoxide anion radical and for SOD. In contrast, the red pepper seed extract exhibited strong SOD activity and high scavenging activity against the superoxide anion radical, but showed weaker ferrous chelating activity, hydroxyl radical scavenging, and DPPH radical scavenging. We observed that the reducing power level and ABTS radical scavenging activity of the red pepper seed were higher than those of the red pepper pericarp at the highest tested concentration. Most of the test results for the red pepper seed and red pepper pericarp extracts increased markedly with increasing concentration; however, the metal chelating, SOD and ABTS radical scavenging activities did not increase with the concentration. Highest total phenolic and flavonoid contents were obtained from the red pepper pericarp extracts. Overall, the red pepper seed and red pepper pericarp extracts were highly effective for the antioxidant properties assayed, with the exceptions of ferrous chelating activity, hydroxyl radical scavenging and SOD activity. [source] H-doped PbTiO3: Structure and electronic propertiesINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2007Arvids Stashans Abstract The geometry and electronic properties of the interstitial H atom in the tetragonal PbTiO3 crystal have been studied using an advanced quantum chemical computer code developed for the modeling of crystals. The inserted H atom was found to bind to one of the O atoms and to form the hydroxyl, OH group, with the inter-atomic distance equal to 0.93 Å and 1.00 Å for the hydroxyls containing O atom in the dimerized and nondimerized TiOTi chains, respectively. Atomic displacements in the vicinity of OH complex are calculated and analyzed in relation to the H-produced changes upon the atomic charges in defective region. The role of H impurity on the ferroelectric polarization in the tetragonal PbTiO3 is discussed in terms of the results obtained in our research and those presented in the other studies on this subject. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 [source] Intramolecular proton transfer induced by divalent alkali earth metal cation in the gas stateINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4 2003Hongqi Ai Abstract Interactions between divalent alkali earth metal (DAEM) ions M (MBe, Mg, Ca, Sr, Ba) and the second stable glycine conformer in the gas phase, which can transfer into the ground-state glycine-M2+ (except the glycine,Be2+) among each corresponding isomers when these divalent metal ions are bound, are studied at the hybrid three-parameter B3LYP level with three different basis sets. Proton transfers from the hydroxyl to the amino nitrogen of the glycine without energy barriers have been first observed in the gas phase in these glycine,M2+ systems. The interaction between the glycine and these DAEM ions except beryllium and magnesium ion only create an amino hydrogen pointing to the original hydroxyl due to their weaker interaction relative to those divalent transition metal (DTM) ion-bound glycine derivatives, being obviously different from that between the glycine and DTM ions, in which two amino hydrogens point to the original hydroxyl oxygen when these metal-chelated glycine derivatives are produced. The interaction energy between the glycine and divalent magnesium would be the boundary of one or two amino hydrogens pointing to the hydrogyl oxygen, i.e., the ,170.3 kcal/mol of binding energy is a critical point. Similar intramolecular proton transfer has also been predicted for those DTM ion-chelated glycine systems; however, that in the gas state has not been observed in the monovalent metal ion-coordinated glycine systems. The binding energy between some monovalent TM ion and the glycine is similar to that of the glycine,Ba2+, which has the lowest binding strength among these DAEM,ion chelated glycine complexes. The difference among them only lies in the larger electrostatic and polarized effects in the latter, which favor the stability of the zwitterionic glycine form in the gas phase. According to these observations, we predict that the zwitterionic glycine would exist in the field of two positive charges in the gas phase. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 94: 205,214, 2003 [source] When, in the context of drug design, can a fluorine atom successfully substitute a hydroxyl group?INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4 2002Marcin Hoffmann Abstract In this article, we deal with the question of whether a fluorine atom can substitute a hydroxyl group in such a way that will lead to a compound showing a desired biologic activity, that is, a potential new drug. It is obvious that a fluorine atom differs from a hydroxyl group, as it cannot donate hydrogen bonds. However, it can accept them. Moreover, both fluorine and oxygen are of similar size and are the most electronegative elements. Therefore, a fluorine atom is thought to be a good substitute for a hydroxyl group. However, it was shown that for conformationally labile aliphatic compounds a replacement of a hydroxyl by a fluorine increases conformational diversity, so the fluorine-containing aliphatic molecules are present in equilibrium at room temperature as a mixture of several different conformers. In contrast, for cyclic compounds the substitution of an OH group by an F atom does not much change shape and electrostatic potential around corresponding conformers. Moreover, these compounds are present in equilibrium at room temperature in aqueous solution as a mixture of the same most favored structures. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002 [source] Determination of %polyvinyl alcohol in vinyl acetate-alcohol resins by quantitative near infrared spectroscopic analysisADVANCES IN POLYMER TECHNOLOGY, Issue 1 2010S. H. Patel Abstract A number of vinyl acetate-alcohol resins (VAAR) samples were collected during partial hydrolysis of poly(vinyl acetate) at different conversions levels (<30%). Using these VAAR samples with known OH (hydroxyl) content, it has been demonstrated that near infrared (NIR) spectroscopic data produced a near perfect fit for the calibration of OH content. A 4-factor partial least-squares method was employed and gave the best results. Further work also confirmed that NIR, operating at a well-controlled environment, is able to quantify, with great precision, the OH content of the selected model compound. In the case for the OH content analysis of VAAR resins, solvent mix ratio (methyl acetate: methanol) and temperature have been identified to be the two most influential factors on the analytical results. © 2010 Wiley Periodicals, Inc. Adv Polym Techn 29:1,10, 2010; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/adv.20166 [source] Synergetic behavior of low Tg polybutadiene polymers and polysiloxanes as components for glass fiber sizing in composite materialsJOURNAL OF APPLIED POLYMER SCIENCE, Issue 2 2010Katherine M. Danner Abstract The effect of low Tg polybutadiene (PBD) rubbery polymer as a part of polysiloxane/PBD E-glass fibers sizing on mechanical properties of a corresponding epoxy composite material has been evaluated by the punch shear test technique. The results show that the use of hydroxyl terminated PBD led to significant increase in interface shear strength, energy absorption, as well as dynamic modulus and Tg in a corresponding composite material. The sizing composition and fiber morphology were characterized by FTIR spectroscopy and AFM microscopy, respectively. Possible rational for such sizing composition/material property relationship is discussed. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010 [source] The totally miscible in ternary hydrogen-bonded polymer blend of poly(vinyl phenol)/phenoxy/phenolicJOURNAL OF APPLIED POLYMER SCIENCE, Issue 1 2009Shiao-Wei KuoArticle first published online: 28 MAY 200 Abstract The individual binary polymer blends of phenolic/phenoxy, phenolic/poly(vinyl phenol) (PVPh), and phenoxy/PVPh have specific interaction through intermolecular hydrogen bonding of hydroxyl,hydroxyl group to form homogeneous miscible phase. In addition, the miscibility and hydrogen bonding behaviors of ternary hydrogen bond blends of phenolic/phenoxy/PVPh were investigated by using differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy, and optical microscopy. According to the DSC analysis, every composition of the ternary blend shows single glass transition temperature (Tg), indicating that this ternary hydrogen-bonded blend is totally miscible. The interassociation equilibrium constant between each binary blend was calculated from the appropriate model compounds. The interassociation equilibrium constant (KA) of each individually binary blend is higher than any self-association equilibrium constant (KB), resulting in the hydroxyl group tending to form interassociation hydrogen bond. Photographs of optical microscopy show this ternary blend possess lower critical solution temperature (LCST) phase diagram. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009 [source] Polyurethane networks from different soy-based polyols by the ring opening of epoxidized soybean oil with methanol, glycol, and 1,2-propanediolJOURNAL OF APPLIED POLYMER SCIENCE, Issue 1 2009Cheng-Shuang Wang Abstract A series of polyols with a range of hydroxyl (OH) numbers based on soybean oil and epoxidized soybean oil were prepared by oxirane ring opening with methanol, glycol, and 1,2-propanediol. The polyols, with average functionalities varying from 2.6 to 4.9, were characterized. Novel cast polyurethane resins were synthesized from these polyols and 2,4-toluene diisocyanate. The sol fraction of the network decreased as the OH number of the polyol from which it was synthesized increased. None of the samples were completely soluble. The crosslinking density of the polyurethanes correlated directly with the functionality of the polyols. The thermal and mechanical properties of the cast resins were characterized with differential scanning calorimetry and thermogravimetry. The glass-transition temperature increased with the OH number increasing, and the thermal stability of the resins was slightly decreased with the OH number increasing. The tensile strength at break increased with the OH number increasing. Polyurethanes prepared from polyols with OH numbers higher than 170 mg of KOH/g were glassy, whereas those with OH numbers below that value were rubbery. Glassy polyurethanes displayed decent mechanical strength, whereas rubbery samples showed relatively poor elastic properties and were characterized by lower strength. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009 [source] Synthesis and characterization of novel Schiff base polyurethanes,JOURNAL OF APPLIED POLYMER SCIENCE, Issue 5 2009A. V. Raghu Abstract Eight different types of novel polyurethanes (PUs) were synthesized through the polyaddition reaction of 4,4,-(ethane-1,2-diylidenedinitrilo)diphenol and 4,4,-(pentane-1,5-diylidenedinitrilo)diphenol with four different diisocyanates: 4,4,-diphenylmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate. The resulting PUs were soluble in polar, aprotic solvents. Structures of the diols and PUs were established with ultraviolet,visible, fluorescence, Fourier transform infrared (FTIR), 1H-NMR, and 13C-NMR spectroscopy data. FTIR and NMR spectral data indicated the disappearance of both hydroxyl and isocyanate groups in the PUs. The thermal properties were investigated with thermogravimetry and differential scanning calorimetry. The weight losses, glass transitions, onset temperatures, and crystalline melting temperatures were measured. All the PUs exhibited semicrystalline and amorphous morphologies, as indicated by X-ray diffraction. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009. [source] Lignin in jute fabric,polypropylene compositesJOURNAL OF APPLIED POLYMER SCIENCE, Issue 3 2009B. A. Acha Abstract In this work, the feasibility of using lignin as a compatibilizer for composites made from jute fiber fabric and polypropylene (PP) was studied. Since lignin contains polar (hydroxyl) groups and nonpolar hydrocarbon, it was expected to be able to improve the compatibility between the two components of the composite. It was found that lignin acted as , nucleation, fire retardant, and toughening agent for PP matrix. Jute composites exhibit higher stiffness, tensile strength, and impact behavior in respect to those of neat PP. Although scanning electron micrographic observations indicate that PP-jute adhesion was slightly improved by lignin addition, additional benefits were only obtained from impact behavior. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009 [source] Observations of physical aging in a polycarbonate and acrylonitrile,butadiene,styrene blendJOURNAL OF APPLIED POLYMER SCIENCE, Issue 1 2008Jacky K. Y. Tang Abstract The effects of physical aging of a 75 : 25 PC/ABS blend have been studied using differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy (FTIR). From DSC, two distinct peak endotherms at about 90°C and 110°C, which are associated with the glass transition of ABS (Tg,ABS) and PC (Tg,PC) components, respectively, were observed. When progressive aging was monitored at 80°C for over 1000 h, the changes in enthalpic relaxation, glass and fictive temperatures for the blend followed similar trends to those already seen in the literature for PC aged between 125 and 130°C. The rate of enthalpy relaxation was also comparable. The plot of peak endotherm against logarithmic aging time for the PC blend constituent, however, behaved quite differently from the linear relationship known for highly aged PC. The ABS peak component also appeared to be insensitive to aging. Both observations were confirmed to be statistically significant using analysis of variance methods. Using temperature modulated-DSC, there is evidence that aging increases the blend miscibility as the Tg,PC shifts toward the stationary Tg,ABS during aging. Parallel FTIR investigations found oxidation of butadiene during aging to be even at this relatively low temperature, forming hydroxyl and carbonyl degradation products. The presence of ABS in the blend also appeared to have prevented the shifting from the trans-cis to trans-trans arrangement of the carbonate linkage, which is a well-known phenomenon during elevated temperature aging of PC alone. Moreover, the carbonate linkage appears to have been at the lower energy, trans-trans, arrangement prior to the aging process. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008 [source] Laser scanning confocal microscope characterization of dye diffusion in nylon 6 fibers treated with atmospheric pressure plasmasJOURNAL OF APPLIED POLYMER SCIENCE, Issue 3 2008Chunxia Wang Abstract The effect of atmospheric pressure plasma treatment on wettability and dyeability of nylon 6 fibers is investigated. The plasma treatments resulted in an average of 10°,20° decrease in the advancing contact angle and 20°,30° decrease in the receding contact angle. An increased dye diffusion rate of nylon 6 fibers was observed using laser scanning confocal microscope (LSCM). Scanning electron microscope confirmed that the fiber surfaces were roughened, and X-ray photoelectron spectroscopy showed that the polar groups on the fiber surfaces increased after the plasma treatments. As the plasma treatment time increased, a greater degree of etching was achieved and more polar groups such as hydroxyl and carboxyl groups produced on the surfaces of the nylon 6 fibers, leading to a better wettability and thus a better dyeability of the fiber. This study proved that LSCM may be effectively used in detecting the change of dye diffusion rate in nylon fibers treated with plasmas and the mounting medium should have a close refractive index as the fiber to avoid distortion of the fiber cross section image. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008 [source] Characterization of end-functionalized styrene,butadiene,styrene copolymers and their application in modified asphaltJOURNAL OF APPLIED POLYMER SCIENCE, Issue 1 2007Qiang Wang Abstract End amino, carboxylic acid, and hydroxyl functionalized styrene,butadiene,styrene (SBS) triblock copolymers were prepared with 1,5-diazabicyclo[3.1.0]hexane, carbon dioxide, and epoxy ethane as capping agents, respectively. The effects of the end polar groups on the morphology and dynamic mechanical properties were investigated. Transmission electron microscopy images suggested that the group at the end of the polystyrene (PS) segment made the morphology of the PS domains disordered and incompact. Dynamic mechanical results showed that the storage and loss modulus increased after SBS was end-functionalized. End amino and carboxylic acid groups improved the compatibility and storage stability of SBS-modified asphalt. However, the effect of the end-hydroxyl group on the improvement of the storage stability of SBS-modified asphalt was not obvious. The differential scanning calorimetry analysis of SBS-modified asphalt further showed that the compatibility and storage stability of SBS-modified asphalt were improved by the attachment of amino or carboxylic acid groups through the anionic polymerization method. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 8,16, 2007 [source] Treatment of Fenton-refractory olive oil mill wastes by electrochemical oxidation with boron-doped diamond anodesJOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 8 2006Pablo Cañizares Abstract In this work, the electrochemical oxidation of an actual industrial waste with conductive diamond anodes has been studied. The wastewater is the effluent of a wastewater treatment plant consisting of a Fenton reactor followed by a settler and a sand filter, in which the wastes generated in an olive oil mill are treated. These wastes contain a residual chemical oxygen demand of nearly 700 mg dm,3 which cannot be further oxidized with the Fenton process. The electrolyses were carried out under galvanostatic conditions, using a bench-scale plant equipped with a single-compartment electrochemical flow cell. Boron-doped diamond (BDD) and stainless steel (AISI 304) were use as anode and cathode of the cell, respectively. The complete mineralization of the waste was obtained with high current efficiencies limited only by mass transport processes. This confirms that besides the hydroxyl radical-mediated oxidation that occurs in the Fenton process, the electrochemical oxidation with conductive diamond electrodes combines other important oxidation processes such as direct electro-oxidation on the BDD surface and oxidation mediated by other electrochemically formed compounds generated in this electrode. Copyright © 2006 Society of Chemical Industry [source] Charge transport in stacking metal and metal-free phthalocyanine iodides.JOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 13 2009Effects of packing, central metals, core modification, dopants, external electric field, substitutions Abstract The charge-transport properties of the one-dimensional stacking metal phthalocyanine iodides (M(Pc)I, M = Fe, Co, Ni, Cu) and metal-free phthalocyanine iodide (H2(Pc)I) have been theoretically investigated. On the basis of the tight-binding approximation and two-state theory, both the site-energy corrected energy splitting in dimer and Fock-matrix-based methods are used to calculate the transfer integral. The intermolecular motions, including interplanar translation, rotation, slip, and tilt, exert remarkable impacts on the transfer integral. The order/disorder of the dopant stack and the long-range electrostatic interactions are also demonstrated to be crucial factors for modulation of charge-transport properties. The transfer integral undergoes slight changes under an applied electric field along the stacking direction in the range of 106 , 107 V cm,1. The change of central metals in MPc has little effect on the transfer integrals, but significantly affects the reorganization energies. The extension of the ,-conjugation in macrocyclic ligand brings about considerable influence on the transfer integrals. Peripheral substitutions by animo, hydroxyl, and methyl lead to deviations from planarity of macromolecular rings, and hence affect the valence bands significantly. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009 [source] | ||||||||||||||||||||||||||||||||||||||||||||||