Complex formation reactions of uranyl(VI) with neutral N-donors in dimethyl sulfoxide. Influence of small amounts of water

International Nuclear Information System (INIS)

Cassol, A.; Di Bernardo, P.; Zanonato, P.; Portanova, R.; Tolazzi, M.

1990-01-01

Quantitative information about the existence and thermodynamic stability of uranyl(VI) ion complexes based solely upon nitrogen coordination has been obtained in the solvent dimethyl sulfoxide. Calorimetric, potentiometric, and FT-IR investigations, under controlled anhydrous conditions, show that the uranyl(VI) ion can form both mono and bis chelates with the ethylenediamine ligand and only a mono chelate of rather low stability with propylenediamine. With the monodentate ligand n-butylamine only a very weak metal-ligand interaction has been detected. The stability constants and the enthalpy and entropy changes have been calculated for the identified coordinated species. All data refer to 25.0 degree C and a tetraethylammonium perchlorate medium of ionic strength 0.1 M. All the complexes are enthalpy stabilized whereas the entropy contributions oppose the complex formation. Calorimetric and FT-IR measurements carried out to investigate the effects of small amounts of water present show that a very low water concentration, comparable to that of the coordinating metal ion, can give rise to hydrolysis reactions that may compete with complex formation. This is due to the combined action of different factors that are discussed. 39 refs., 6 figs., 1 tab

Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shuai [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Liu, Qinfu, E-mail: lqf@cumtb.edu.cn [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Cheng, Hongfei [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Zeng, Fangui [Department of Earth Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

2015-03-15

Graphical abstract: Snapshot of the kaolinite–DMSO system after equilibrium is reached. - Highlights: • Dimethyl sulfoxide arranges a monolayer structure between kaolinite layers. • Weak hydrogen bonds exist between methyl groups of dimethyl sulfoxide and kaolinite silica layer. • Intercalated dimethyl sulfoxide forms strong hydrogen bonds with kaolinite alumina layer. - Abstract: Kaolinite intercalation complex with dimethyl sulfoxide (DMSO) was investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermogravimetry–differential scanning calorimetry (TG–DSC) combined with molecular dynamics simulation. The bands assigned to the OH stretching of inner surface of kaolinite were significantly perturbed after intercalation of DMSO into kaolinite. Additionally, the bands attributed to the vibration of gibbsite-like layers of kaolinite shifted to the lower wave number, indicating that the intercalated DMSO were strongly hydrogen bonded to the alumina octahedral surface of kaolinite. The slightly decreased intensity of 1031 cm{sup −1} and 1016 cm{sup −1} band due to the in-plane vibration of Si−O of kaolinite revealed that some DMSO molecules formed weak hydrogen bonds with the silicon tetrahedral surface of kaolinite. Based on the TG result of kaolinite–DMSO intercalation complex, the formula of A1{sub 2}Si{sub 2}O{sub 5}(OH){sub 4}(DMSO){sub 0.7} was obtained, with which the kaolinite–DMSO complex model was constructed. The molecular dynamics simulation of kaolinite–DMSO complex directly confirmed the monolayer structure of DMSO in interlayer space of kaolinite, where the DMSO arranged almost parallel with kaolinite basal surface with all methyl groups being distributed near the interlayer midplane and oxygen atoms orienting toward to the alumina octahedral surface. The radial distribution function between kaolinite and intercalated DMSO verified the strong hydrogen bonds forming between hydroxyl hydrogen

cis-Dichlorido(dimethyl sulfoxide-κS(N,N,N′,N′-tetramethylguanidine-κN′′platinum(II

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Ivan I. Eliseev

2013-02-01

Full Text Available In the title compound, cis-[PtCl2(C5H13N3(C2H6OS], the four-coordinate PtII atom is bonded to one N atom of the N,N,N′,N′-tetramethylguanidine ligand, one dimethyl sulfoxide S atom and two chloride ligands, forming a cis-square-planar geometry. The bond lengths and angles of the N—Pt—Cl functionality are typical for imine dichloridoplatinum(II complexes. The H atom of the imino group is oriented towards the O atom of the sulfoxide group of a neighboring molecule and forms an N—H...O hydrogen bond.

Studies on extraction of uranium (VI) with petroleum sulfoxides

International Nuclear Information System (INIS)

Yang Yanzhao; Sun Sixiu; Bao Borong

1999-01-01

The extraction of uranium(VI) with petroleum sulfoxides(PSO) in different diluents is studied. The extraction ability of U(VI) decreases in the following order: benzene, toluene, cyclohexane, heptane, kerosene, carbon tetrachloride and chloroform. The influence of the concentrations of nitric acid, PSO, salting out agent, complexing anion and temperature on the extraction equilibrium is also investigated, and the enthalpy of the extraction reaction is obtained. The relationship between the extraction equilibrium constants K ex and the physical parameters of diluents is derived. The extraction mechanism and equilibrium are examined by measurement of IR spectrophotometry

Enantiomeric behaviour of albendazole and fenbendazole sulfoxides in domestic animals: pharmacological implications.

Science.gov (United States)

Capece, Bettencourt P S; Virkel, Guillermo L; Lanusse, Carlos E

2009-09-01

Albendazole and fenbendazole are methylcarbamate benzimidazole anthelmintics extensively used to control gastrointestinal parasites in domestic animals. These parent compounds are metabolised to albendazole sulfoxide and fenbendazole sulfoxide (oxfendazole), respectively. Both sulfoxide derivatives are anthelmintically active and are manufactured for use in animals. They metabolites have an asymmetric centre on their chemical structures and two enantiomeric forms of each sulfoxide have been identified in plasma, tissues of parasite location and within target helminths. Both the flavin-monooxygenase and cytochrome P450 systems are involved in the enantioselective biotransformation of these anthelmintic compounds in ruminant species. A relevant progress on the understanding of the relationship among enantioselective metabolism and systemic availability of each enantiomeric form has been achieved. This article reviews the current knowledge on the pharmacological implications of the enantiomeric behaviour of albendazole sulfoxide and oxfendazole in domestic animals.

Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.

Science.gov (United States)

Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong

2014-01-03

A novel palladium-catalyzed ortho-C(sp(2))-H olefination protocol has been developed by the use of sulfoxide as the directing group. Importantly, relatively remote coordination can be accessed to achieve the ortho olefination of benzyl, 2-arylethyl, and 3-arylpropenyl sulfoxide substrates, and the olefinated sulfoxide can be easily transformed to other functionalities.

In vivo evaluation of the efficacy of albendazole sulfoxide and albendazole sulfoxide loaded solid lipid nanoparticles against hydatid cyst.

Science.gov (United States)

Ahmadnia, Sara; Moazeni, Mohammad; Mohammadi-Samani, Soliman; Oryan, Ahmad

2013-10-01

Cystic echinococcosis (CE) is caused by the larval stage of Echinococcus granulosus, which in this disease the metacestode develop in visceral organs especially liver and lungs. The disease is present worldwide and affects humans as well as herbivores including cattle, sheep, camels, horses and others. Benzimidazole carbamate derivatives, such as mebendazole and albendazole, are currently used for chemotherapeutic treatment of CE in inoperable patients and have to be applied in high doses for extended periods of time, and therefore adverse side effects are frequently observed. This study was designed to evaluate and compare the in vivo effects of 0.5 mg/kg, BID, albendazole sulfoxide (ricobendazole) and two different therapeutic regimens of 0.5 mg/kg BID and 2 mg/kg every 48 h of albendazole sulfoxide loaded solid lipid nanoparticles. Albendazole sulfoxide loaded solid lipid nanoparticles was prepared by solvent diffusion-evaporation method. Fifty Balb/c mice were infected by intraperitoneal injection of protoscoleces and 8 months post infection, the infected mice were treated for 15 days with the above mentioned regimens. They were then euthanized and the size and weight of the cysts as well as their ultrastructural changes were investigated. Although the cysts showed reduced size and weight in the treated animals but these reductions were not statistically significant. The cysts in the animals which received albendazole sulfoxide loaded SLN every 48 h showed more ultrastructural modification. However, these ultrastructural changes should be supported by further biochemical and molecular studies before introducing it as an efficient therapeutic regimen for treatment of human and animal hydatid disease. Copyright © 2013 Elsevier Inc. All rights reserved.

Tunability of photoswitchable ruthenium sulfoxide compounds on the basis of ligand substitution

Energy Technology Data Exchange (ETDEWEB)

Eicke, Sebastian; Dieckmann, Volker; Springfeld, Kristin; Imlau, Mirco [Deparment of Physics, University of Osnabrueck (Germany)

2010-07-01

Photoswitchable ruthenium sulfoxide compounds provide a light-induced linkage isomerization in combination with pronounced changes in characteristic optical properties. As representative of the ruthenium sulfoxide group the molecular compound [Ru(bpy){sub 2}(R-OSO)]{sup +} (OSO: 2-methylsulfinylbenzoate) can be tuned in its optical properties by the substitution of the photoswitchable ligands (R=Bn, BnCl, BnMe). These modified sulfoxides were studied in respect to their photochromic properties and kinetics of the generation and relaxation of the light-induced isomers. The kinetics were determined by pump-probe technique and show in each case two reversible thermal decay processes following Arrhenius law. The two photo-excited states offer lifetimes in the magnitude of {tau}{sub 1}{approx}10{sup 3} s and {tau}{sub 2}{approx}10{sup 4} s at room temperature with activation energies about E{sub A,I}=0.72 eV to 0.92 eV and E{sub A,II}=0.8 eV to 1.00 eV. Another respresentative of the photoswitchable sulfoxides is the [Ru(bpy){sub 2}(pySO)]{sup 2+} compound. This molecule is the first sulfoxide which allows for reversible switching between the ground and metastable states by light exposure. With this compound the sulfoxides are highly qualified for optical data storage on a molecular scale.

Cysteine sulfoxide derivatives in Petiveria alliacea.

Science.gov (United States)

Kubec, R; Musah, R A

2001-11-01

Two diastereomers of S-benzyl-L-cysteine sulfoxide have been isolated from fresh roots of Petiveria alliacea. Their structures and absolute configurations have been determined by NMR, MALDI-HRMS, IR and CD spectroscopy and confirmed by comparison with authentic compounds. Both the R(S) and S(S) diastereomers of the sulfoxide are present in all parts of the plant (root, stem, and leaves) with the latter diastereomer being predominant. Their total content greatly varied in different parts of the plant between 0.07 and 2.97 mg g(-1) fr. wt, being by far the highest in the root. S-Benzylcysteine has also been detected in trace amounts (<10 microg g(-1) fr. wt) in all parts of the plant. This represents the first report of the presence of S-benzylcysteine derivatives in nature.

Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow.

Science.gov (United States)

McCaw, Patrick G; Buckley, Naomi M; Eccles, Kevin S; Lawrence, Simon E; Maguire, Anita R; Collins, Stuart G

2017-04-07

Diazo transfer to β-keto sulfoxides to form stable isolable α-diazo-β-keto sulfoxides has been achieved for the first time. Both monocyclic and benzofused ketone derived β-keto sulfoxides were successfully explored as substrates for diazo transfer. Use of continuous flow leads to isolation of the desired compounds in enhanced yields relative to standard batch conditions, with short reaction times, increased safety profile, and potential to scale up.

Simultaneous gauche and anomeric effects in α-substituted sulfoxides.

Science.gov (United States)

Freitas, Matheus P

2012-09-07

α-Substituted sulfoxides can experience both gauche and anomeric effects, since these compounds have the geometric requirements and strong electron donor and acceptor orbitals which are essential to make operative the hyperconjugative nature of these effects. Indeed, the title effects were calculated to take place for 1,3-oxathiane 3-oxide in polar solution, where dipolar effects are absent or at least minimized, while only the gauche effect is present in 2-fluorothiane 1-oxide. Since the fluorine atom is a suitable probe for structural analysis using NMR, the (1)J(CF) dependence on the rotation around the F-C-S═O dihedral angle of (fluoromethyl)methyl sulfoxide was evaluated; differently from 1,2-difluoroethane and fluoro(methoxy)methane, this coupling constant is at least not exclusively dependent on dipolar interactions (or on hyperconjugation). Because of the nonmonotonic behavior of the (1)J(CF) rotational profile, this coupling constant does not appear to be of significant diagnostic value for probing the conformations of α-fluoro sulfoxides.

Speciation of binary complexes of Pb(II and Cd(II with L-asparagine in dimethyl sulfoxide - water mixtures

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C. N. Rao

2016-02-01

Full Text Available Chemical speciation of L-Asparagine complexes of Pb(II and Cd(II in presence of (0-50% v/v dimethyl sulfoxide(DMSO-water mixtures has been studied potentiometrically at 303.0 K and at an ionic strength of 0.16 mol L-1. The models containing different number of species were refined by using the computer program MINIQUAD75. The number of species in the models is chosen based on exhaustive modeling. The predominant species formed are of the type ML2, ML2H, and ML2H2. The best fit chemical models were chosen based on statistical parameters. The convenience of the models is ascertained by studying the effect of errors in concentrations of ingredients. The trend in variation of stability constants with change in the composition of medium is explained on the basis of predominant electrostatic and non-electrostatic forces. Chemical speciation was discussed based on the distribution diagrams. DOI: http://dx.doi.org/10.4314/bcse.v30i1.6

Extraction of plutonium(IV) by bis(2-ethylhexyl) sulfoxide: a novel branched-chain extractant (Preprint No. ST.23)

International Nuclear Information System (INIS)

Shukla, J.P.; Kedari, C.S.

1989-01-01

Di-n-alkyl sulfoxides offer certain distint advantages over other common extractants for use in actinides separation particularly in the presence of high radiation fields. Despite widespread interest in these extractants, practical applications of such sulfoxides in nuclear fuel reprocessing have been seriously hampered owing to their poor solubility in common aliphatic hydrocarbon diluents. Recently a promising new branched-chain sulfoxide extractant, bis( 2-ethylhexyl) sulfoxide (BESO) has been introduced as a novel extracting agent for uranium. It possesses almost all the advantages of other sulfoxides, but excels the rest in terms of its complete miscibility with dodecane and the highest Ksub(H) value reported for any sulfoxide. As a part of comprehensive program to explore its analytical usefulness, data concerning preliminary studies on the extraction of plutonium with BESO form nitric acid solutions are reported. (author)

Decryptification of Acid Phosphatase in Arthrospores of Geotrichum Species Treated with Dimethyl Sulfoxide and Acetone

Science.gov (United States)

Cotter, David A.; Martel, Anita J.; MacDonald, Paul

1975-01-01

Decryptification of acid phosphatase in Geotrichum sp. arthrospores was accomplished using acetone or dimethyl sulfoxide treatment. Both dimethyl sulfoxide and acetone irreversibly destroyed the integrity of the spore membranes without solubilizing acid phosphatase. PMID:1167386

Complexes between lanthanide (III) and yttrium (III) picrates and tetra methylene sulfoxide as ligand

International Nuclear Information System (INIS)

Silva, M.A.A. da.

1991-01-01

The preparation and characterization of addition compounds between lanthanide (III) and yttrium (III) picrates and tetra methylene sulfoxide as ligand were described. The adducts were prepared in the molar relation 1 (salt): 3(ligand) in ethanol. They are microcrystalline with more intense color than those of their respective hydrated salts. At room temperature conditions they are non hygroscopic and do not present perceptible alterations. They became slightly opalescent, when heated between 363 and 423 K. At higher temperatures under several heating ratios, the behavior shown is the same: melting between 439 and 472 K. The characterization of the compounds was made by elemental analysis, electrolytic conductance measurements, X-ray powder patterns, infrared spectroscopy, visible electronic absorption and emission spectra of the neodymium (III) and europium (III), respectively. (author). 116 refs., 17 tabs., 11 figs

Photofragmentation dynamics of gaseous dimethyl sulfoxide at 15 eV induced by synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Guerra, A.C.O.; Leite, T.C.M.; Turci, C.C. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil); Barros, A.L.F. de [Centro Federal de Educacao Tecnologica do Rio de Janeiro (CEFET-RJ), RJ (Brazil); Ferreira, G.B. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil)

2012-07-01

Full text: Dimethyl sulfoxide (DMSO) is a solvent widely used in chemical and biological laboratories and in industrial processes, as well. DMSO [(H{sub 3}C){sub 2} - SO] is a sulfur analog of acetone [(H{sub 3}C){sub 2} - CO]. Being the simplest alkyl sulfoxide, the DMSO is a model system for the understanding of more complex sulfoxide molecules. In this work the DMSO was excited with synchrotron light and the photoelectron-photoion coincidence spectrum was acquired at 15 eV. Our goal is to study the S-C bonding breaking process, especially in the H{sub 3}CSO{sup +} and CH{sub 3}{sup +} channels. The main question is how the 10a {yields} {infinity} transition affects the cleavage of S-C bond and consequently the production of those fragments. The experiments have been performed using the Toroidal Grating Monochromator (TGM) beamline at the Brazilian Synchrotron Light Laboratory (LNLS) in Campinas-SP (research proposal D05A-TGM-11047). High purity samples were obtained commercially and used without any further purification. They were introduced into the Wiley-McLaren time-of-flight mass spectrometer (TOF-MS) from the vapours of the room temperature liquids after removing air and volatile impurities by a series of freeze-pump-thaw cycles. The work pressure was maintained at 1:0 x 10{sup -6} mbar during data acquisition. The basis pressure was 1:0 x 10{sup -8} mbar. The results confirm that at 10a {yields} {infinity} transition the main produced fragment is the H{sub 3}CSO{sup +}. It means that at 15 eV the S-C bonding breaking is the principal photofragmentation process. (author)

Triclabendazole sulfoxide causes stage-dependent embryolethality in zebrafish and mouse in vitro.

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Nuria Boix

Full Text Available Fascioliasis and paragonimiasis are widespread foodborne trematode diseases, affecting millions of people in more than 75 countries. The treatment of choice for these parasitic diseases is based on triclabendazole, a benzimidazole derivative which has been suggested as a promising drug to treat pregnant women and children. However, at the moment, this drug is not approved for human use in most countries. Its potential adverse effects on embryonic development have been scarcely studied, and it has not been assigned a pregnancy category by the FDA. Thus, to help in the process of risk-benefit decision making upon triclabendazole treatment during pregnancy, a better characterization of its risks during gestation is needed.The zebrafish embryo test, a preimplantation and a postimplantation rodent whole embryo culture were used to investigate the potential embryotoxicity/teratogenicity of triclabendazole and its first metabolite triclabendazole sulfoxide. Albendazole and albendazole sulfoxide were included as positive controls.Triclabendazole was between 10 and 250 times less potent than albendazole in inducing dysmorphogenic effects in zebrafish or postimplantation rodent embryos, respectively. However, during the preimplantation period, both compounds, triclabendazole and triclabendazole sulfoxide, induced a dose-dependent embryolethal effect after only 24 h of exposure in rodent embryos and zebrafish (lowest observed adverse effect concentrations = 10 μM.In humans, after ingestion of the recommended doses of triclabendazole to treat fascioliasis and paragonimiasis (10 mg/kg, the main compound found in plasma is triclabendazole sulfoxide (maximum concentration 38.6 μM, while triclabendazole concentrations are approximately 30 times lower (1.16 μM. From our results it can be concluded that triclabendazole, at concentrations of the same order of magnitude as the clinically relevant ones, does not entail teratogenic potential in vitro during the

Ruthenium sulfoxides structure and reactivity with nitrogen heterocyclic bases

International Nuclear Information System (INIS)

Oliveira, Denise de.

1990-01-01

Ruthenium (II) sulfoxides are compounds of great interest in oxidative catalysis and in chemotherapy. In order to contribute for the understanding of the chemistry and electronic structure of this class of compounds, it has been studied a series of [Ru Cl 2 (S-DMSO) 2 L x ] complexes, where x = 1 (polymeric compounds) or 2 (monomers) and L N-heterocyclic ligands (pyridine, pyrazine and imidazole derivatives). The nature of N-heterocyclic ligand and their coordination are of great relevance to the stability, spectroscopic and electrochemical characteristics of the complexes. The trans-interactions are extremely important in this series, influencing the strength of the Ru(II)-> S-DMSO and Ru(II)-> L π-back donation. The DMSO and L ligands are π-acceptors. The metal-> ligand π-back donation is strengthened when the ligand is trans to chloride, which is π-donor, due to trans-cooperative interactions of the type: π-donor -> Ru(II) π-acceptor. Another interesting aspect in the series of [Ru Cl 2 (S-DMSO) 2 L 2 ] complexes is the occurrence of dissociative equilibria in the solution, due to the existence of three types of ligands. It was observed that the trans-N isomer of 2,6-dimethyl pyrazine derivative undergoes thermal substitution, with preferential liabilization of the N-heterocyclic ligand. Chloride ion is the most inert ligand in this complex. (author). 145 refs., 76 figs., 21 tabs

Dymethyl sulfoxide complexes of rare earth perrhenates

International Nuclear Information System (INIS)

Osorio, V.K.L.; Kawano, Y.; Kuya, M.K.; Perrier, M.

1980-01-01

The complexes Ln(ReO 4 ) 3 .8dmso (Ln = La-Lu, Y) and La(ReO 4 ) 3 .8dmso-d 6 have been prepared and characterized by conductance, infrared and Raman measurements. All the complexes have structures involving complex cation and non-coordinated anions in the solid state. The conductance values in nitromethane solution indicate a behavior near to a 1:1 electrolyte type. A comparative study with the data accumulated on the literature shows that perrhenate anion has higher coordinating capacity than perchlorate and hexafluorophosphate ones. (Author) [pt

Sulfoxide stimulation of chondrogenesis in limb mesenchyme is accompanied by an increase in type II collagen enhancer activity

International Nuclear Information System (INIS)

Horton, W.E. Jr.; Higginbotham, J.D.

1991-01-01

We have utilized a modification of the limb bud mesenchyme micromass culture system to screen compounds that might stimulate chondrogenesis. Two compounds in the sulfoxide family (methylphenylsulfoxide and p-chlorophenyl methyl sulfoxide) were stimulatory at 10(-2) M and 10(-3) M, respectively; whereas other sulfoxides and organic solvents were not active at these concentrations. In addition, specific growth factors (basic FGF, IGF-I, IGF-II) were not chondroinductive at concentrations that are active in other cell systems. Both sulfoxide compounds stimulated cartilage nodule formation, [ 35 S]sulfate incorporation, and activity of the regulatory sequences of the collagen II gene. In contrast, transforming growth factor beta-1 (10 ng/ml) stimulated sulfate incorporation but produced only a diffuse deposition of cartilage matrix and reduced the ability of the cells to utilize the regulatory sequences of the collagen II gene. The sulfoxides appear to promote the differentiation of limb bud cells to chondrocytes and thus exhibit chondroinductive activity

Dopamine D2 receptor function is compromised in the brain of the methionine sulfoxide reductase A knockout mouse

OpenAIRE

Oien, Derek B.; Ortiz, Andrea N.; Rittel, Alexander G.; Dobrowsky, Rick T.; Johnson, Michael A.; Levant, Beth; Fowler, Stephen C.; Moskovitz, Jackob

2010-01-01

Previous research suggests that brain oxidative stress and altered rodent locomotor behavior are linked. We observed bio-behavioral changes in methionine sulfoxide reductase A knockout mice associated with abnormal dopamine signaling. Compromised ability of these knockout mice to reduce methionine sulfoxide enhances accumulation of sulfoxides in proteins. We examined the dopamine D2-receptor function and expression, which has an atypical arrangement and quantity of methionine residues. Indeed...

Antioxidant properties of dimethyl sulfoxide and its viability as a solvent in the evaluation of neuroprotective antioxidants.

Science.gov (United States)

Sanmartín-Suárez, Carolina; Soto-Otero, Ramón; Sánchez-Sellero, Inés; Méndez-Álvarez, Estefanía

2011-01-01

Dimethyl sulfoxide is an amphiphilic compound whose miscibility with water and its ability to dissolve lipophilic compounds make it an appreciated solvent in biomedical research. However, its reported antioxidant properties raise doubts about its use as a solvent in evaluating new antioxidants. The goal of this investigation was to evaluate its antioxidant properties and carry out a comparative study on the antioxidant properties of some known neuroprotective antioxidants in the presence and absence of dimethyl sulfoxide. The antioxidant properties of dimethyl sulfoxide were studied in rat brain homogenates by determining its ability to reduce both lipid peroxidation (TBARS formation) and protein oxidation (increase in protein carbonyl content and decrease in free thiol content) induced by ferrous chloride/hydrogen peroxide. Its ability to reduce the production of hydroxyl radicals by 6-hydroxydopamine autoxidation was also estimated. The same study was also performed with three known antioxidants (α-phenyl-N-tert-butylnitrone; 2-methyl-2-nitrosopropane; 5,5-dimethyl-1-pyrroline N-oxide) in the presence and absence of dimethyl sulfoxide. Our results showed that dimethyl sulfoxide is able to reduce both lipid peroxidation and protein carbonyl formation induced by ferrous chloride/hydrogen peroxide in rat brain homogenates. It can also reduce the production of hydroxyl radicals during 6-hydroxydopamine autoxidation. However, it increases the oxidation of protein thiol groups caused by ferrous chloride/hydrogen peroxide in rat brain homogenate. Despite the here reported antioxidant and pro-oxidant properties of dimethyl sulfoxide, the results obtained with α-phenyl-N-tert-butylnitrone, 2-methyl-2-nitrosopropane, and 5,5-dimethyl-1-pyrroline N-oxide corroborate the antioxidant properties attributed to these compounds and support the potential use of dimethyl sulfoxide as a solvent in the study of the antioxidant properties of lipophilic compounds. Dimethyl sulfoxide

Crystal structure of chlorido(dimethyl sulfoxide-κSbis[4-(pyridin-2-ylbenzaldehyde-κ3C2,N]iridium(III acetonitrile monosolvate

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Andrew J. Peloquin

2017-09-01

Full Text Available The title compound, [IrCl(C12H8NO2{(CH32SO}]·H3CCN or [IrCl(fppy2(DMSO]·H3CCN [where fppy is 4-(pyridin-2-ylbenzaldehyde and DMSO is dimethyl sulfoxide], is a mononuclear iridium(III complex including two fppy ligands, a sulfur-coordinating DMSO ligand, and one terminal chloride ligand that define a distorted octahedral coordination sphere. The complex crystallizes from 1:1 DMSO–acetonitrile as an acetonitrile solvate. In the crystal, weak C—H...O and C—H...N hydrogen-bonding interactions between adjacent complexes and between the acetonitrile solvent and the complex consolidate the packing.

Recommended vapor pressures for thiophene, sulfolane, and dimethyl sulfoxide

Czech Academy of Sciences Publication Activity Database

Fulem, Michal; Růžička, K.; Růžička, M.

2011-01-01

Roč. 303, č. 2 (2011), s. 205-216 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z10100521 Keywords : thiophene sulfolane * dimethyl sulfoxide * vapor pressure * heat capacity * vaporization enthalpy * recommended vapor pressure equation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.139, year: 2011

Enthalpy of solution of potassium iodide in the water-formamide-dimethyl sulfoxide mixtures

International Nuclear Information System (INIS)

Belova, L.N.; Solov'ev, S.N.; Vorob'ev, A.F.

1985-01-01

Solution enthalpies are measured for potassium iodide in the water-formamide-dimethyl sulfoxide mixtures in a sealed oscillating calorimeter with an isothermal shell at a constant water molar fraction equal to 0.3; 0.5 and 0.7 at 298.15 K. A diagram of the dependence of solution enthalpies on the of mixed solvent composition is plotted. Deviations of experimental solution enthalpies from the calculated ones are negative over the entire concentration range studied, which testifies to the preferable solvatation of electrolyte by the formid and dimthyl sulfoxide molecules

Determination of albendazole sulfoxide in human plasma by using liquid chromatography-tandem mass spectrometry.

Science.gov (United States)

Saraner, Nihal; Özkan, Güler Yağmur; Güney, Berrak; Alkan, Erkin; Burul-Bozkurt, Nihan; Sağlam, Onursal; Fikirdeşici, Ezgi; Yıldırım, Mevlüt

2016-06-01

A rapid, simple and sensitive method was developed and validated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) for determination of albendazole sulfoxide (ABZOX) in human plasma. The plasma samples were extracted by protein precipitation using albendazole sulfoxide-d3 as internal standard (IS). The chromatographic separation was performed on Waters Xbridge C18Column (100×4.6mm, 3.5μm) with a mobile phase consisting of ammonia solution, water and methanol at a flow rate of 0.70mL/min. ABZOX was detected and identified by mass spectrometry with electrospray ionization (ESI) in positive ion and multiple-reaction monitoring (MRM) mode. The method was linear in the range of 3-1500ng/mL for ABZOX. This method was successfully applied to the bioequivalence study in human plasma samples. Copyright © 2016 Elsevier B.V. All rights reserved.

Experimental and theoretical evaluation on the microenvironmental effect of dimethyl sulfoxide on adrenaline in acid aqueous solution

Science.gov (United States)

Yu, Zhang-Yu; Liu, Tao; Guo, Dao-Jun; Liu, Yong-Jun; Liu, Cheng-Bu

2010-12-01

The microenvironmental effect of dimethyl sulfoxide (DMSO) on adrenaline was studied by several approaches including the cyclic voltammetry (CV) of adrenaline at a platinum electrode in acid aqueous solution, the chemical shift of 1H nuclear magnetic resonance ( 1H NMR) of adrenaline, and the change of diffusion coefficient of adrenaline. The experimental results demonstrated that DMSO has significant microenvironmental effect on adrenaline, which was confirmed by the density functional theory (DFT) study on the hydrogen bond (H-bond) complexes of adrenaline with water and DMSO.

Now at the Met: fine art of reversible sulfoxidation.

Science.gov (United States)

Ilani, Tal; Fass, Deborah

2013-08-08

In this issue, Lee et al. (2013) exhibit methionine sulfoxidation in a new light. By bringing together two antagonistic enzymes affecting methionine redox state, the authors demonstrate that methionine oxidation constitutes a reversible, posttranslational regulatory mechanism, akin to protein phosphorylation. Copyright © 2013 Elsevier Inc. All rights reserved.

Inactivation of MXR1 Abolishes Formation of Dimethyl Sulfide from Dimethyl Sulfoxide in Saccharomyces cerevisiae

OpenAIRE

Hansen, Jørgen

1999-01-01

Dimethyl sulfide (DMS) is a sulfur compound of importance for the organoleptic properties of beer, especially some lager beers. Synthesis of DMS during beer production occurs partly during wort production and partly during fermentation. Methionine sulfoxide reductases are the enzymes responsible for reduction of oxidized cellular methionines. These enzymes have been suggested to be able to reduce dimethyl sulfoxide (DMSO) as well, with DMS as the product. A gene for an enzymatic activity lead...

Dimethyl sulfoxide-inducible cytoplasmic factor involved in erythroid differentiation in mouse erythroleukemia (Friend) cells

International Nuclear Information System (INIS)

Watanabe, T.; Oishi, M.

1987-01-01

A previous report described an intracellular factor (differentiation-inducing factor I, or DIF-I) that seem to play a role in erythroid differentiation in mouse erythroleukemia (MEL) cells. The authors have detected another erythroid-inducing factor in cell-free extracts from dimethyl sulfoxide- or hexamethylenebis(acetamide)-treated MEL cells, which acts synergistically with DIF-I. The partially purified factor (termed DIF-II) triggered erythroid differentiation when introduced into undifferentiated MEL cells that had been potentiated by the induction of DIF-I. The activity in the extracts appeared in an inducible manner after addition of dimethyl sulfoxide or hexamethylenebis(acetamide), reached a maximum at 6 hr, and then rapidly decreased. The induction was inhibited by phorbol 12-myristate 13-acetate and also by cycloheximide. No induction was observed in a mutant MEL cell line defective in erythroid differentiation. These characteristics are consistent with the supposition that DIF-II is one of the putative dimethyl sulfoxide-inducible factors detected in previously reported cell-fusion and cytoplast-fusion experiments. The role of DIF-II in MEL-cell differentiation and in vitro differentiation in general is discussed

Studies of a novel cysteine sulfoxide lyase from Petiveria alliacea: the first heteromeric alliinase.

Science.gov (United States)

Musah, Rabi A; He, Quan; Kubec, Roman; Jadhav, Abhijit

2009-11-01

A novel alliinase (EC 4.4.1.4) was detected and purified from the roots of the Amazonian medicinal plant Petiveria alliacea. The isolated enzyme is a heteropentameric glycoprotein composed of two alpha-subunits (68.1 kD each), one beta-subunit (56.0 kD), one gamma-subunit (24.8 kD), and one delta-subunit (13.9 kD). The two alpha-subunits are connected by a disulfide bridge, and both alpha- and beta-subunits are glycosylated. The enzyme has an isoelectric point of 4.78 and pH and temperature optima of 8.0 and approximately 52 degrees C, respectively. Its activation energy with its natural substrate S-benzyl-l-cysteine sulfoxide is 64.6 kJ mol(-1). Kinetic studies showed that both K(m) and V(max) vary as a function of substrate structure, with the most preferred substrates being the naturally occurring P. alliacea compounds S-benzyl-l-cysteine sulfoxide and S-2-hydroxyethyl-l-cysteine sulfoxide. The alliinase reacts with these substrates to produce S-benzyl phenylmethanethiosulfinate and S-(2-hydroxyethyl) 2-hydroxyethanethiosulfinate, respectively.

Dramatic improvement in photostability of luminescent Eu(III) complexes with tetraphenylimidodiphosphinate ligand

International Nuclear Information System (INIS)

Zheng, Wei; Li, Shu-Jing; Li, Cheng-Hui; Zheng, You-Xuan; You, Xiao-Zeng

2014-01-01

In this paper, we synthesized and characterized a new Eu(III) tetraphenylimidodiphosphinate complex with dimethyl sulfoxide (DMSO) as co-ligand. Moreover, we compared the photostability of a series of Eu(III) complexes containing tetraphenylimidodiphosphinate ligands, Eu(tpip) 3 , Eu(tpip) 3 Phen, Eu(tpip) 3 DMSO, with their analogs of 1,3-dibenzoylmethanate, Eu(dbm) 3 ∙2H 2 O, Eu(dbm) 3 Phen, Eu(dbm) 3 (DMSO) 2 . We found that the photostability of the luminescent Eu(III) complexes was significantly improved upon substitution of the 1,3-diketones with tetraphenylimidodiphosphinate ligands. -- Highlights: • We synthesized and characterized a new Eu(III) tetraphenylimidodiphosphinate complexes with dimethyl sulfoxide. • We compared the photostability of Eu(III) complex with tetraphenylimidodiphosphinate and 1,3-dibenzoylmethanate ligands. • The photostability is significantly improved in Eu(III) complexes with tetraphenylimidodiphosphinate ligands

Palladium-Catalyzed Enantioselective C-H Olefination of Diaryl Sulfoxides through Parallel Kinetic Resolution and Desymmetrization.

Science.gov (United States)

Zhu, Yu-Chao; Li, Yan; Zhang, Bo-Chao; Zhang, Feng-Xu; Yang, Yi-Nuo; Wang, Xi-Sheng

2018-03-07

The first example of Pd II -catalyzed enantioselective C-H olefination with non-chiral or racemic sulfoxides as directing groups was developed. A variety of chiral diaryl sulfoxides were synthesized with high enantioselectivity (up to 99 %) through both desymmetrization and parallel kinetic resolution (PKR). This is the first report of Pd II -catalyzed enantioselective C(sp 2 )-H functionalization through PKR, and it represents a novel strategy to construct sulfur chiral centers. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm

International Nuclear Information System (INIS)

Blank, D.A.; North, S.W.; Stranges, D.

1997-01-01

When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH 3 SOCH 3 ) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH 3 intermediate prior to dissociation to define a stepwise dissociation: (1) CH 3 SOCH 3 → 2CH 3 + SO; (2a) CH 3 SOCH 3 → CH 3 + SOCH 3 ; and (2b) SOCH 3 → SO + CH 3 . Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH 3 and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH 3 intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2

Radioprotection by dimethyl sulfoxide on two biological system

International Nuclear Information System (INIS)

Bernardes, D.M.L.; Villavicencio, A.L.C.H.; Del Mastro, N.L.

1990-01-01

The effects of dimethyl sulfoxide treatment on two biological systems are examined: a) In vivo, the level of albinic mouse survive from IPEN, when irradiated with 9 Gy of 60 Co., 1 hour after the injection ip of DMSO 0,025M. b) In vivo, molecular level, when DMSO 1M, is added 10 min. before the irradiation with 25.000 Gy of 60 Co, from an aqueous solution of proteins from crystalline bovine. (C.G.C.) [pt

A Click Chemistry Approach towards Flavin-Cyclodextrin Conjugates-Bioinspired Sulfoxidation Catalysts

Czech Academy of Sciences Publication Activity Database

Tomanová, P.; Šturala, J.; Buděšínský, Miloš; Cibulka, R.

2015-01-01

Roč. 20, č. 11 (2015), s. 19837-19848 ISSN 1420-3049 Institutional support: RVO:61388963 Keywords : click chemistry * cyclodextrin * flavin * monooxygenase * oxidation * sulfoxides * green chemistry Subject RIV: CC - Organic Chemistry Impact factor: 2.465, year: 2015 http://www.mdpi.com/1420-3049/20/11/19667/htm

Use of sulfoxides for extraction-gravimetric determination of niobium and tantalum

International Nuclear Information System (INIS)

Nikolaev, A.I.; Babkin, A.G.; Tkachenko, V.G.

1977-01-01

An extraction-gravimetrical technique has been developed for determination of niobium and tantalum. The technique permits simultaneous extraction of tantalum and its concentrating in the aqueous phase; the range of Ta concentrations determined is essentially wider than in case of the routine gravimetric methods. The technique is based upon the fact, that tantalum is extracted by sulfoxides from fluorine-sulphate solutions at lower concentration of Hf and at lower ratios between the volumes of organic and aqueous phases than niobium. Two subsequent extractions by 1M sulfoxide solutions provide for practically complete transfer of tantalum into the organic phase, whereas extraction of niobium is only 3-20%. Sufficient recovery of Ta and Nb from organic phases is provided by re-extraction by NH 4 F solution. The technique is suitable for niobium and tantalum determination at the ratios of their pentoxides from 1:100 to 100:1. The disturbing influence of Fe(3) is suppressed by reductions to Fe(2)

ASYMMETRIC SULFOXIDATION OF ALBENDAZOLE TO RICOBENDAZOLE BY FUNGI: EFFECT OF pH

Directory of Open Access Journals (Sweden)

Thiago Barth

2015-08-01

Full Text Available Albendazole (ABZ is an anthelmintic drug used for the treatment of infectious diseases in veterinary and human medicine. This drug is a prochiral drug that after administration, is rapidly oxidized in the pharmacologically active sulfoxide metabolite, which is also known as ricobendazole (ABZSOX. ABZSOX has a stereogenic center and possibly two enantiomers, (+-ABZSOX and (--ABZSOX. In the present work, we investigate the pH effect on the asymmetric stereoselective sulfoxidation of ABZ into ABZSOX by employing the fungi Nigrospora sphaerica, Papulaspora immera Hotson, and Mucor rouxii. The results show a possibility of obtaining the pure enantiomers of the ricobendazole drug using fungi as biocatalytic agents. The three fungi showed a high degree of enantioselectivity expressed by enantiomeric excess. In addition, M. rouxii can be used as an alternative to obtain the (+-ABZSOX enantiomer (ee 89.8%.

Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm

Energy Technology Data Exchange (ETDEWEB)

Blank, D.A.; North, S.W.; Stranges, D. [Lawrence Berkeley National Lab., CA (United States)] [and others

1997-04-01

When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH{sub 3}SOCH{sub 3}) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH{sub 3} intermediate prior to dissociation to define a stepwise dissociation: (1) CH{sub 3}SOCH{sub 3} {r_arrow} 2CH{sub 3} + SO; (2a) CH{sub 3}SOCH{sub 3} {r_arrow} CH{sub 3} + SOCH{sub 3}; and (2b) SOCH{sub 3} {r_arrow} SO + CH{sub 3}. Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH{sub 3} and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH{sub 3} intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2.

Corynebacterium diphtheriae methionine sulfoxide reductase a exploits a unique mycothiol redox relay mechanism.

Science.gov (United States)

Tossounian, Maria-Armineh; Pedre, Brandán; Wahni, Khadija; Erdogan, Huriye; Vertommen, Didier; Van Molle, Inge; Messens, Joris

2015-05-01

Methionine sulfoxide reductases are conserved enzymes that reduce oxidized methionines in proteins and play a pivotal role in cellular redox signaling. We have unraveled the redox relay mechanisms of methionine sulfoxide reductase A of the pathogen Corynebacterium diphtheriae (Cd-MsrA) and shown that this enzyme is coupled to two independent redox relay pathways. Steady-state kinetics combined with mass spectrometry of Cd-MsrA mutants give a view of the essential cysteine residues for catalysis. Cd-MsrA combines a nucleophilic cysteine sulfenylation reaction with an intramolecular disulfide bond cascade linked to the thioredoxin pathway. Within this cascade, the oxidative equivalents are transferred to the surface of the protein while releasing the reduced substrate. Alternatively, MsrA catalyzes methionine sulfoxide reduction linked to the mycothiol/mycoredoxin-1 pathway. After the nucleophilic cysteine sulfenylation reaction, MsrA forms a mixed disulfide with mycothiol, which is transferred via a thiol disulfide relay mechanism to a second cysteine for reduction by mycoredoxin-1. With x-ray crystallography, we visualize two essential intermediates of the thioredoxin relay mechanism and a cacodylate molecule mimicking the substrate interactions in the active site. The interplay of both redox pathways in redox signaling regulation forms the basis for further research into the oxidative stress response of this pathogen. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Transition-Metal-Free Highly Efficient Aerobic Oxidation of Sulfides to Sulfoxides under Mild Conditions

Directory of Open Access Journals (Sweden)

Hua Zhang

2009-12-01

Full Text Available A highly efficient transition-metal-free catalytic system Br2/NaNO2/H2O has been developed for a robust and economic acid-free aerobic oxidation of sulfides. It is noteworthy that the sulfide function reacts under mild conditions without over-oxidation to sulfone. The role of NaNO2as an efficient NO equivalent for the activation of molecular oxygen was identified. Under the optimal conditions, a broad range of sulfide substrates were converted into their corresponding sulfoxides in high yields by molecular oxygen. The present catalytic system utilizes cheap and readily available agents as the catalysts, exhibits high selectivity for sulfoxide products and releases only innocuous water as the by-products.

γ-ray dosimetry using pararosaniline cyanide in dimethyl sulfoxide solutions

International Nuclear Information System (INIS)

El-Assy, N.B.; Roushdy, H.M.; Rageh, M.; McLaughlin, W.L.; Levine, H.

1982-01-01

A chemical radiochromic dosimeter using pararosaniline cyanide in dimethyl sulfoxide can be used over a wide absorbed dose range. Experiments show that the dosimeter has a main optical absorption maximum at 554nm, which is 5nm higher than that of other polar solvents. Millimolar solutions of leucodye containing small amounts of carboxylic acid or nitrobenzene show a linear response for absorbed doses up to 11.75kGy. The yield of dye is linear with concentration up to 5mM. At that concentration the upper limit of linear response range can be extended to about 40kGy. The lower dose limit for 50mM concentration of the dye precursor hexahydroxyethyl pararosaniline (lambdasub(max)=608nm) is about 3Gy, with +-5%SD at a 95% confidence level, when using a 5cm pathlength cell. Dye formation yield varies not only with concentration of the leucocyanide, but also with type of oxidizing agent and temperature during irradiation. The latter parameter is especially critical, as dimethyl sulfoxide freezes at 17 0 C. The effect of storage temperature on the color produced after irradiation at different dose levels was also studied. (author)

Protection against UVB-induced oxidative stress in human skin cells and skin models by methionine sulfoxide reductase A.

Science.gov (United States)

Pelle, Edward; Maes, Daniel; Huang, Xi; Frenkel, Krystyna; Pernodet, Nadine; Yarosh, Daniel B; Zhang, Qi

2012-01-01

Environmental trauma to human skin can lead to oxidative damage of proteins and affect their activity and structure. When methionine becomes oxidized to its sulfoxide form, methionine sulfoxide reductase A (MSRA) reduces it back to methionine. We report here the increase in MSRA in normal human epidermal keratinocytes (NHEK) after ultraviolet B (UVB) radiation, as well as the reduction in hydrogen peroxide levels in NHEK pre-treated with MSRA after exposure. Further, when NHEK were pre-treated with a non-cytotoxic pentapeptide containing methionine sulfoxide (metSO), MSRA expression increased by 18.2%. Additionally, when the media of skin models were supplemented with the metSO pentapeptide and then exposed to UVB, a 31.1% reduction in sunburn cells was evident. We conclude that the presence of MSRA or an externally applied peptide reduces oxidative damage in NHEK and skin models and that MSRA contributes to the protection of proteins against UVB-induced damage in skin.

Studies of a Novel Cysteine Sulfoxide Lyase from Petiveria alliacea: The First Heteromeric Alliinase1[W][OA

Science.gov (United States)

Musah, Rabi A.; He, Quan; Kubec, Roman; Jadhav, Abhijit

2009-01-01

A novel alliinase (EC 4.4.1.4) was detected and purified from the roots of the Amazonian medicinal plant Petiveria alliacea. The isolated enzyme is a heteropentameric glycoprotein composed of two α-subunits (68.1 kD each), one β-subunit (56.0 kD), one γ-subunit (24.8 kD), and one δ-subunit (13.9 kD). The two α-subunits are connected by a disulfide bridge, and both α- and β-subunits are glycosylated. The enzyme has an isoelectric point of 4.78 and pH and temperature optima of 8.0 and approximately 52°C, respectively. Its activation energy with its natural substrate S-benzyl-l-cysteine sulfoxide is 64.6 kJ mol−1. Kinetic studies showed that both Km and Vmax vary as a function of substrate structure, with the most preferred substrates being the naturally occurring P. alliacea compounds S-benzyl-l-cysteine sulfoxide and S-2-hydroxyethyl-l-cysteine sulfoxide. The alliinase reacts with these substrates to produce S-benzyl phenylmethanethiosulfinate and S-(2-hydroxyethyl) 2-hydroxyethanethiosulfinate, respectively. PMID:19789290

Mutant form C115H of Clostridium sporogenes methionine γ-lyase efficiently cleaves S-Alk(en)yl-l-cysteine sulfoxides to antibacterial thiosulfinates.

Science.gov (United States)

Kulikova, Vitalia V; Anufrieva, Natalya V; Revtovich, Svetlana V; Chernov, Alexander S; Telegin, Georgii B; Morozova, Elena A; Demidkina, Tatyana V

2016-10-01

Pyridoxal 5'-phosphate-dependent methionine γ-lyase (MGL) catalyzes the β-elimination reaction of S-alk(en)yl-l-cysteine sulfoxides to thiosulfinates, which possess antimicrobial activity. Partial inactivation of the enzyme in the course of the reaction occurs due to oxidation of active site cysteine 115 conserved in bacterial MGLs. In this work, the C115H mutant form of Clostridium sporogenes MGL was prepared and the steady-state kinetic parameters of the enzyme were determined. The substitution results in an increase in the catalytic efficiency of the mutant form towards S-substituted l-cysteine sulfoxides compared to the wild type enzyme. We used a sulfoxide/enzyme system to generate antibacterial activity in situ. Two-component systems composed of the mutant enzyme and three S-substituted l-cysteine sulfoxides were demonstrated to be effective against Gram-positive and Gram-negative bacteria and three clinical isolates from mice. © 2016 IUBMB Life, 68(10):830-835, 2016. © 2016 International Union of Biochemistry and Molecular Biology.

In vitro susceptibilities of the AIDS-associated microsporidian Encephalitozoon intestinalis to albendazole, its sulfoxide metabolite, and 12 additional benzimidazole derivatives.

OpenAIRE

Katiyar, S K; Edlind, T D

1997-01-01

Recent reports have described the successful treatment of Encephalitozoon intestinalis infection in AIDS patients with albendazole. However, this compound is rapidly metabolized in vivo to albendazole sulfoxide, and furthermore it is only 1 of about 15 commercially developed benzimidazole derivatives. To compare the activities of albendazole, albendazole sulfoxide, and other benzimidazoles, an in vitro system involving infection of green monkey kidney cell (E6) monolayers with E. intestinalis...

Performance of the SMD and SM8 models for predicting solvation free energy of neutral solutes in methanol, dimethyl sulfoxide and acetonitrile

Science.gov (United States)

Zanith, Caroline C.; Pliego, Josefredo R.

2015-03-01

The continuum solvation models SMD and SM8 were developed using 2,346 solvation free energy values for 318 neutral molecules in 91 solvents as reference. However, no solvation data of neutral solutes in methanol was used in the parametrization, while only few solvation free energy values of solutes in dimethyl sulfoxide and acetonitrile were used. In this report, we have tested the performance of the models for these important solvents. Taking data from literature, we have generated solvation free energy, enthalpy and entropy values for 37 solutes in methanol, 21 solutes in dimethyl sulfoxide and 19 solutes in acetonitrile. Both SMD and SM8 models have presented a good performance in methanol and acetonitrile, with mean unsigned error equal or less than 0.66 and 0.55 kcal mol-1 in methanol and acetonitrile, respectively. However, the correlation is worse in dimethyl sulfoxide, where the SMD and SM8 methods present mean unsigned error of 1.02 and 0.95 kcal mol-1, respectively. Our results point out the SMx family of models need be improved for dimethyl sulfoxide solvent.

Thermodynamic study of dihydrogen phosphate dimerisation and complexation with novel urea- and thiourea-based receptors.

Science.gov (United States)

Bregović, Nikola; Cindro, Nikola; Frkanec, Leo; Užarević, Krunoslav; Tomišić, Vladislav

2014-11-24

Complexation of dihydrogen phosphate by novel thiourea and urea receptors in acetonitrile and dimethyl sulfoxide was studied in detail by an integrated approach by using several methods (isothermal titration calorimetry, ESI-MS, and (1)H NMR and UV spectroscopy). Thermodynamic investigations into H2PO4(-) dimerisation, which is a process that has been frequently recognised, but rarely quantitatively described, were carried out as well. The corresponding equilibrium was taken into account in the anion-binding studies, which enabled reliable determination of the complexation thermodynamic quantities. In both solvents the thiourea derivatives exhibited considerably higher binding affinities with respect to those containing the urea moiety. In acetonitrile, 1:1 and 2:1 (anion/receptor) complexes formed, whereas in dimethyl sulfoxide only the significantly less stable complexes of 1:1 stoichiometry were detected. The solvent effects on the thermodynamic parameters of dihydrogen phosphate dimerisation and complexation reactions are discussed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlations between electrochemical and spectrochemical parameters of ruthenium sulfoxides series with N-heterocyclic

International Nuclear Information System (INIS)

Oliveira, D. de; Toma, H.E.

1990-01-01

A systematic study of Ru Cl sub(2) (DMSO) sub(2) L sub(2) derivates, where L = N-heterocyclic base is described, contributing for a best understanding of chemical behaviour and electronic structure of the ruthenium sulfoxides. The correlations between the electrochemical and the spectroscopical parameters of the serie are presented with more emphasis. (author)

Simultaneous densitometric determination of anthelmintic drug albendazole and its metabolite albendazole sulfoxide by HPTLC in human plasma and pharmaceutical formulations.

Science.gov (United States)

Pandya, Jui J; Sanyal, Mallika; Shrivastav, Pranav S

2017-09-01

A new, simple, accurate and precise high-performance thin-layer chromatographic method has been developed and validated for simultaneous determination of an anthelmintic drug, albendazole, and its active metabolite albendazole, sulfoxide. Planar chromatographic separation was performed on aluminum-backed layer of silica gel 60G F 254 using a mixture of toluene-acetonitrile-glacial acetic acid (7.0:2.9:0.1, v/v/v) as the mobile phase. For quantitation, the separated spots were scanned densitometrically at 225 nm. The retention factors (R f ) obtained under the established conditions were 0.76 ± 0.01 and 0.50 ± 0.01 and the regression plots were linear (r 2  ≥ 0.9997) in the concentration ranges 50-350 and 100-700 ng/band for albendazole and albendazole sulfoxide, respectively. The method was validated for linearity, specificity, accuracy (recovery) and precision, repeatability, stability and robustness. The limit of detection and limit of quantitation found were 9.84 and 29.81 ng/band for albendazole and 21.60 and 65.45 ng/band for albendazole sulfoxide, respectively. For plasma samples, solid-phase extraction of analytes yielded mean extraction recoveries of 87.59 and 87.13% for albendazole and albendazole sulfoxide, respectively. The method was successfully applied for the analysis of albendazole in pharmaceutical formulations with accuracy ≥99.32%. Copyright © 2017 John Wiley & Sons, Ltd.

Crystal structure of μ-oxalato-κ2O1:O2-bis[(dimethyl sulfoxide-κOtriphenyltin(IV

Directory of Open Access Journals (Sweden)

Serigne Fallou Pouye

2017-07-01

Full Text Available In the previously reported [C2O4(SnPh32] complex [Diop et al. (2003. Appl. Organomet. Chem. 17, 881–882.], the SnIV atoms are able to formally complete their coordination by addition of dimethyl sulfoxide (DMSO molecules provided by the reaction medium, affording the title complex, [Sn2(C6H56(C2O4(C2H6OS2]. The SnIV atoms are then pentacoordinated, with a common trans trigonal–bipyramidal arrangement. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry in space group type C2/c. The inversion centre is placed at the mid-point of the central bis-monodentate oxalate dianion, C2O42−, which bridges the [(SnPh3(DMSO] moieties. The molecule crystallizes as a disordered system, with two phenyl rings disordered by rotation about their Sn—C bonds, while the DMSO molecule is split over two positions due to a tetrahedral inversion at the S atom. All disordered parts were refined with occupancies fixed of 0.5.

Metabolism of the fungicide Denmert (S-n-butyl S'-p-tert-butyl-benzyl N-3-pyridyldithiocarbonimidate, S-1358) and Denmert sulfoxides in liver enzyme systems

International Nuclear Information System (INIS)

Ohkawa, Hideo; Okihara, Yukiko; Miyamoto, Junshi

1976-01-01

On incubation with rat liver microsomes plus MADPH, Denmert (S-n-butyl S'-p-tert-butylbenzyl N-3-pyridyldithiocarbonimidate) underwent at least two different types of oxidation; hydroxylation and sulfoxidation. Hydroxylation of Denmert at the tert-butyl group was one of the major metabolic attacks in mammalian metabolism. Sulfoxidation of Denmert gave two isomers of Denmert sulfoxides which were intermediates in the metabolism and readily transformed into 2-(3'-pyridylimino)-4-carboxylthiazolidine (HM) in the presence of L-cysteine without enzymatic mediation. This type of conjugation with cysteine appears to be a new class of metabolic reactions in mammals. Denmert S-oxide showed increased fungicidal activity when assayed in liquid cultures, but not on plant leaves. (auth.)

Methionine sulfoxide profiling of milk proteins to assess the influence of lipids on protein oxidation in milk.

Science.gov (United States)

Wüst, Johannes; Pischetsrieder, Monika

2016-06-15

Thermal treatment of milk and milk products leads to protein oxidation, mainly the formation of methionine sulfoxide. Reactive oxygen species, responsible for the oxidation, can be generated by Maillard reaction, autoxidation of sugars, or lipid peroxidation. The present study investigated the influence of milk fat on methionine oxidation in milk. For this purpose, quantitative methionine sulfoxide profiling of all ten methionine residues of β-lactoglobulin, α-lactalbumin, and αs1-casein was carried out by ultrahigh-performance liquid chromatography-electrospray ionization tandem mass spectrometry with scheduled multiple reaction monitoring (UHPLC-ESI-MS/MS-sMRM). Analysis of defatted and regular raw milk samples after heating for up to 8 min at 120 °C and analysis of ultrahigh-temperature milk samples with 0.1%, 1.5%, and 3.5% fat revealed that methionine oxidation of the five residues of the whey proteins and of residues M 123, M 135, and M 196 of αs1-casein was not affected or even suppressed in the presence of milk fat. Only the oxidation of residues M 54 and M 60 of αs1-casein was promoted by lipids. In evaporated milk samples, formation of methionine sulfoxide was hardly influenced by the fat content of the samples. Thus, it can be concluded that lipid oxidation products are not the major cause of methionine oxidation in milk.

Crystal structures of copper(II) chloride, copper(II) bromide, and copper(II) nitrate complexes with pyridine-2-carbaldehyde thiosemicarbazone

Science.gov (United States)

Chumakov, Yu. M.; Tsapkov, V. I.; Jeanneau, E.; Bairac, N. N.; Bocelli, G.; Poirier, D.; Roy, J.; Gulea, A. P.

2008-09-01

The crystal structures of chloro-(2-formylpyridinethiosemicarbazono)copper dimethyl sulfoxide solvate ( I), bromo-(2-formylpyridinethiosemicarbazono)copper ( II), and (2-formylpyridinethiosemicarbazono)copper(II) nitrate dimethyl sulfoxide solvate ( III) are determined using X-ray diffraction. In the crystals, complexes I and II form centrosymmetric dimers in which the thiosemicarbazone sulfur atom serves as a bridge and occupies the fifth coordination site of the copper atom of the neighboring complex related to the initial complex through the center of symmetry. In both cases, the coordination polyhedron of the complexing ion is a distorted tetragonal bipyramid. Complex III in the crystal structure forms polymer chains in which the copper atom of one complex forms the coordination bond with the thicarbamide nitrogen atom of the neighboring complex. In this structure, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid. It is established that complexes I III at a concentration of 10-5 mol/l selectively inhibit the growth of 60 to 90 percent of the cancer tumor cells of the human myeloid leukemia (HL-60).

Crystal structures of copper(II) chloride, copper(II) bromide, and copper(II) nitrate complexes with pyridine-2-carbaldehyde thiosemicarbazone

International Nuclear Information System (INIS)

Chumakov, Yu. M.; Tsapkov, V. I.; Jeanneau, E.; Bairac, N. N.; Bocelli, G.; Poirier, D.; Roy, J.; Gulea, A. P.

2008-01-01

The crystal structures of chloro-(2-formylpyridinethiosemicarbazono)copper dimethyl sulfoxide solvate (I), bromo-(2-formylpyridinethiosemicarbazono)copper (II), and (2-formylpyridinethiosemicarbazono)copper(II) nitrate dimethyl sulfoxide solvate (III) are determined using X-ray diffraction. In the crystals, complexes I and II form centrosymmetric dimers in which the thiosemicarbazone sulfur atom serves as a bridge and occupies the fifth coordination site of the copper atom of the neighboring complex related to the initial complex through the center of symmetry. In both cases, the coordination polyhedron of the complexing ion is a distorted tetragonal bipyramid. Complex III in the crystal structure forms polymer chains in which the copper atom of one complex forms the coordination bond with the thicarbamide nitrogen atom of the neighboring complex. In this structure, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid. It is established that complexes I-III at a concentration of 10 -5 mol/l selectively inhibit the growth of 60 to 90 percent of the cancer tumor cells of the human myeloid leukemia (HL-60).

Crystal structures of copper(II) chloride, copper(II) bromide, and copper(II) nitrate complexes with pyridine-2-carbaldehyde thiosemicarbazone

Energy Technology Data Exchange (ETDEWEB)

Chumakov, Yu. M., E-mail: chumakov.xray@phys.asm.md [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Tsapkov, V. I. [State University of Moldova (Moldova, Republic of); Jeanneau, E. [Universite Claude Bernard, Laboratoire des Multimateriaux et Interfaces (France); Bairac, N. N. [State University of Moldova (Moldova, Republic of); Bocelli, G. [National Research Council (IMEM-CNR), Institute of Materials for Electronics and Magnetism (Italy); Poirier, D.; Roy, J. [Centre Hospitalier Universitaire de Quebec (CHUQ) (Canada); Gulea, A. P. [State University of Moldova (Moldova, Republic of)

2008-09-15

The crystal structures of chloro-(2-formylpyridinethiosemicarbazono)copper dimethyl sulfoxide solvate (I), bromo-(2-formylpyridinethiosemicarbazono)copper (II), and (2-formylpyridinethiosemicarbazono)copper(II) nitrate dimethyl sulfoxide solvate (III) are determined using X-ray diffraction. In the crystals, complexes I and II form centrosymmetric dimers in which the thiosemicarbazone sulfur atom serves as a bridge and occupies the fifth coordination site of the copper atom of the neighboring complex related to the initial complex through the center of symmetry. In both cases, the coordination polyhedron of the complexing ion is a distorted tetragonal bipyramid. Complex III in the crystal structure forms polymer chains in which the copper atom of one complex forms the coordination bond with the thicarbamide nitrogen atom of the neighboring complex. In this structure, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid. It is established that complexes I-III at a concentration of 10{sup -5} mol/l selectively inhibit the growth of 60 to 90 percent of the cancer tumor cells of the human myeloid leukemia (HL-60).

On the Origin of Microheterogeneity : A Mass Spectrometric Study of Dimethyl Sulfoxide-Water Binary Mixture

NARCIS (Netherlands)

Shin, Dong Nam; Wijnen, Jan W.; Engberts, Jan B.F.N.; Wakisaka, Akihiro

2001-01-01

We have studied the microscopic solvent structure of dimethyl sulfoxide-water mixtures and its influence on the solvation structure of solute from a clustering point of View, by means of a specially designed mass spectrometric system. It was observed that the propensity to the cluster formation is

N-Boc Amines to Oxazolidinones via Pd(II)/Bis-sulfoxide/Brønsted Acid Co-Catalyzed Allylic C–H Oxidation

Science.gov (United States)

2015-01-01

A Pd(II)/bis-sulfoxide/Brønsted acid catalyzed allylic C–H oxidation reaction for the synthesis of oxazolidinones from simple N-Boc amines is reported. A range of oxazolidinones are furnished in good yields (avg 63%) and excellent diastereoselectivities (avg 15:1) to furnish products regioisomeric from those previously obtained using allylic C–H amination reactions. Mechanistic studies suggest the role of the phosphoric acid is to furnish a Pd(II)bis-sulfoxide phosphate catalyst that promotes allylic C–H cleavage and π-allylPd functionalization with a weak, aprotic oxygen nucleophile and to assist in catalyst regeneration. PMID:24999765

N-Boc amines to oxazolidinones via Pd(II)/bis-sulfoxide/Brønsted acid co-catalyzed allylic C-H oxidation.

Science.gov (United States)

Osberger, Thomas J; White, M Christina

2014-08-06

A Pd(II)/bis-sulfoxide/Brønsted acid catalyzed allylic C-H oxidation reaction for the synthesis of oxazolidinones from simple N-Boc amines is reported. A range of oxazolidinones are furnished in good yields (avg 63%) and excellent diastereoselectivities (avg 15:1) to furnish products regioisomeric from those previously obtained using allylic C-H amination reactions. Mechanistic studies suggest the role of the phosphoric acid is to furnish a Pd(II)bis-sulfoxide phosphate catalyst that promotes allylic C-H cleavage and π-allylPd functionalization with a weak, aprotic oxygen nucleophile and to assist in catalyst regeneration.

The determination of sulfoxide configuration in six-membered rings using NMR specroscopy and DFT calculations

Czech Academy of Sciences Publication Activity Database

Dračínský, Martin; Pohl, Radek; Slavětínská, Lenka; Janků, J.; Buděšínský, Miloš

2011-01-01

Roč. 22, č. 3 (2011), s. 356-366 ISSN 0957-4166 R&D Projects: GA ČR GA203/09/1919 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR * calculation of NMR parameters * sulfoxides * configuration Subject RIV: CC - Organic Chemistry Impact factor: 2.652, year: 2011

Radiolabelling and evaluation of a novel sulfoxide as a PET imaging agent for tumor hypoxia

International Nuclear Information System (INIS)

Laurens, Evelyn; Yeoh, Shinn Dee; Rigopoulos, Angela; Cao, Diana; Cartwright, Glenn A.; O'Keefe, Graeme J.; Tochon-Danguy, Henri J.; White, Jonathan M.; Scott, Andrew M.; Ackermann, Uwe

2014-01-01

[ 18 F]FMISO is the most widely validated PET radiotracer for imaging hypoxic tissue. However, as a result of the pharmacokinetics of [ 18 F]FMISO a 2 h wait between tracer administration and patient scanning is required for optimal image acquisition. In order to develop hypoxia imaging agents with faster kinetics, we have synthesised and evaluated several F-18 labelled anilino sulfoxides. In this manuscript we report on the synthesis, in vitro and in vivo evaluation of a novel fluoroethyltriazolyl propargyl anilino sulfoxide. The radiolabelling of the novel tracer was achieved via 2-[ 18 F]fluoroethyl azide click chemistry. Radiochemical yields were 23 ± 4% based on 2-[ 18 F]fluoroethyl azide and 7 ± 2% based on K[ 18 F]F. The radiotracer did not undergo metabolism or defluorination in an in vitro assay using S9 liver fractions. Imaging studies using SK-RC-52 tumors in BALB/c nude mice have indicated that the tracer may have a higher pO 2 threshold than [ 18 F]FMISO for uptake in hypoxic tumors. Although clearance from muscle was faster than [ 18 F]FMISO, uptake in hypoxic tumors was slower. The average tumor to muscle ratio at 2 h post injection in large, hypoxic tumors with a volume greater than 686 mm 3 was 1.7, which was similar to the observed ratio of 1.75 for [ 18 F]FMISO. Although the new tracer showed improved pharmacokinetics when compared with the previously synthesised sulfoxides, further modifications to the chemical structure need to be made in order to offer significant in vivo imaging advantages over [ 18 F]FMISO

Adducts of rare earth tris-acetylacetonates with dimethyl sulfoxide

International Nuclear Information System (INIS)

Dzyubenko, N.G.; Kalenichenko, Yu.V.; Martynenko, L.I.

1988-01-01

Adducts of rare earth and yttrium (r.e.e., M) acetylacetonates with dimethyl sulfoxide (DMSO), MA 3 xnDMSO are synthesized. The acetylacetonates of light r.e.e. (M=La-Tb) are shown by different physico-chemical methods to form diadducts of the MA 3 x2DMSOxH 2 O composition, where A - -acetylacetonate-ion, and the acetyl-acetonates of heavy r.e.e. (M=Dy-Lu, Y)-monoadducts MA 3 xDMSO. The estimation of adduct thermal stability is carried out using the values of seeming activation energy of their thermal degradation. Monoadducts are shown to give volatile forms of rare earth acetylacetonates during heating in vacuum, and diadducts do not form volatile forms of acetylacetonates

Synergistic Roles of Helicobacter pylori Methionine Sulfoxide Reductase and GroEL in Repairing Oxidant-damaged Catalase*

Science.gov (United States)

Mahawar, Manish; Tran, ViLinh; Sharp, Joshua S.; Maier, Robert J.

2011-01-01

Hypochlorous acid (HOCl) produced via the enzyme myeloperoxidase is a major antibacterial oxidant produced by neutrophils, and Met residues are considered primary amino acid targets of HOCl damage via conversion to Met sulfoxide. Met sulfoxide can be repaired back to Met by methionine sulfoxide reductase (Msr). Catalase is an important antioxidant enzyme; we show it constitutes 4–5% of the total Helicobacter pylori protein levels. msr and katA strains were about 14- and 4-fold, respectively, more susceptible than the parent to killing by the neutrophil cell line HL-60 cells. Catalase activity of an msr strain was much more reduced by HOCl exposure than for the parental strain. Treatment of pure catalase with HOCl caused oxidation of specific MS-identified Met residues, as well as structural changes and activity loss depending on the oxidant dose. Treatment of catalase with HOCl at a level to limit structural perturbation (at a catalase/HOCl molar ratio of 1:60) resulted in oxidation of six identified Met residues. Msr repaired these residues in an in vitro reconstituted system, but no enzyme activity could be recovered. However, addition of GroEL to the Msr repair mixture significantly enhanced catalase activity recovery. Neutrophils produce large amounts of HOCl at inflammation sites, and bacterial catalase may be a prime target of the host inflammatory response; at high concentrations of HOCl (1:100), we observed loss of catalase secondary structure, oligomerization, and carbonylation. The same HOCl-sensitive Met residue oxidation targets in catalase were detected using chloramine-T as a milder oxidant. PMID:21460217

1H, 15N and 13C NMR Assignments of Mouse Methionine Sulfoxide Reductase B2

Science.gov (United States)

Breivik, Åshild S.; Aachmann, Finn L.; Sal, Lena S.; Kim, Hwa-Young; Del Conte, Rebecca; Gladyshev, Vadim N.; Dikiy, Alexander

2011-01-01

A recombinant mouse methionine-r-sulfoxide reductase 2 (MsrB2ΔS) isotopically labeled with 15N and 15N/13C was generated. We report here the 1H, 15N and 13C NMR assignments of the reduced form of this protein. PMID:19636904

SPECIATION OF BINARY COMPLEXES OF Pb(II) AND Cd(II) WITH ...

African Journals Online (AJOL)

ABSTRACT. Chemical speciation of L-Asparagine complexes of Pb(II) and Cd(II) in presence of (0-50% v/v) dimethyl sulfoxide(DMSO)-water mixtures has been studied potentiometrically at 303.0 K and at an ionic strength of 0.16 mol L-1. The models containing different number of species were refined by using the ...

Trimesic acid dimethyl sulfoxide solvate: space group revision

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Sylvain Bernès

2008-07-01

Full Text Available The structure of the title solvate, C9H6O6·C2H6OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978. Acta Cryst. B34, 1613–1617], with data collected at room temperature, and refined in the space group P21. The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P21/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the S and O atoms of the solvent molecule. The molecules in each layer are interconnected through strong O—H...O hydrogen bonds, forming a two-dimensional supramolecular network within each layer. The donor groups are the hydroxyls of the trimesic acid molecules, while the acceptors are the carbonyl or the sulfoxide O atoms.

Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.

Science.gov (United States)

Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen

2017-05-15

Six alkoxohexavanadate-based Cu- or Co-POVs [Cu(dpa)(acac)(H 2 O)] 2 [V 6 O 13 (OMe) 6 ] (1), [Cu(phen)(acac)(MeOH)] 2 [V 6 O 13 (OMe) 6 ] (2), [Co(dpa)(acac) 2 ] 2 [V 6 O 13 (OMe) 6 ]·2MeOH (3), [Co(phen)(acac) 2 ] 2 [V 6 O 13 (OMe) 6 ] (4), [Cu(dpa)(acac)] 2 [V IV 2 V V 4 O 12 (OMe) 7 ] (5), and [Cu(dpa)(acac)(MeOH)] 2 [V IV 2 V V 4 O 11 (OMe) 8 ] (6) (POV = polyoxovanadate; dpa = 2,2'-dipyridine amine; phen = 1,10-phenanthroline; acac = acetylacetone anion) have been synthesized by controlling the reaction conditions and characterized by single-crystal X-ray diffraction and powder X-ray diffraction analyses, FT-IR spectroscopy, element analyses, and X-ray photoelectron spectroscopy. In compounds 1-4 and 6, Cu or Co complexes and alkoxohexavanadate anions are assembled through electrostatic interactions. Differently, in compound 5, seven-methoxo-substituted Lindqvist-type [V 6 O 12 (OMe) 7 ] 2- are bridged to Cu complex via terminal O atoms by coordination bonds. All compounds 1-6 exhibit excellent heterogeneous catalytic performance in oxidative desulfurization and CEES ((2-chloroethyl) ethyl sulfide, a sulfur mustard simulant) abatement with H 2 O 2 as oxidant. Among them, the catalytic activity of 6 [conv. of DBT (dibenzothiophene) up to 100% in 6 h; conv. of CEES reached 100% and selectivity of CEESO ((2-chloroethyl) ethyl sulfoxide) up to 85% after 4 h] outperforms others and can be reused without losing its activity.

Kinetics and thermodynamics of oxidation mediated reaction in L-cysteine and its methyl and ethyl esters in dimethyl sulfoxide-d6 by NMR spectroscopy

Science.gov (United States)

Dougherty, Ryan J.; Singh, Jaideep; Krishnan, V. V.

2017-03-01

L-Cysteine (L-Cys), L-Cysteine methyl ester (L-CysME) or L-Cysteine ethyl ester (L-CysEE), when dissolved in dimethyl sulfoxide, undergoes an oxidation process. This process is slow enough and leads to nuclear magnetic resonance (NMR) spectral changes that could be monitored in real time. The oxidation mediated transition is modeled as a pseudo-first order kinetics and the thermodynamic parameters are estimated using the Eyring's formulation. L-Cysteine and their esters are often used as biological models due to the remarkable thiol group that can be found in different oxidation states. This oxidation mediated transition is due to the combination of thiol oxidation to a disulfide followed by solvent-induced effects may be relevant in designing cysteine-based molecular models.

Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) tetraiodide

KAUST Repository

Haque, Mohammed; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tao

2016-01-01

The title salt, [Mn(C2H6OS)6]I4, is made up from discrete [Mn(DMSO)6]2+ (DMSO is dimethyl sulfoxide) units connected through non-classical hydrogen bonds to linear I4 2- tetraiodide anions. The MnII ion in the cation, situated on a position with site symmetry -3., is octahedrally coordinated by O atoms of the DMSO molecule with an Mn - O distance of 2.1808(12)Å. The I4 2- anion contains a neutral I2 molecule weakly coordinated by two iodide ions, forming a linear centrosymmetric tetraiodide anion. The title compound is isotypic with the Co, Ni, Cu, and Zn analogues.

Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) tetraiodide

KAUST Repository

Haque, Mohammed

2016-11-15

The title salt, [Mn(C2H6OS)6]I4, is made up from discrete [Mn(DMSO)6]2+ (DMSO is dimethyl sulfoxide) units connected through non-classical hydrogen bonds to linear I4 2- tetraiodide anions. The MnII ion in the cation, situated on a position with site symmetry -3., is octahedrally coordinated by O atoms of the DMSO molecule with an Mn - O distance of 2.1808(12)Å. The I4 2- anion contains a neutral I2 molecule weakly coordinated by two iodide ions, forming a linear centrosymmetric tetraiodide anion. The title compound is isotypic with the Co, Ni, Cu, and Zn analogues.

Effect of dimethyl sulfoxide (DMSO) on radiation-induced heteroallelic reversion in diploid yeast

International Nuclear Information System (INIS)

Singh, D.R.; Mahajan, J.M.; Krishnan, D.

1976-01-01

Dimethyl sulfoxide has cryoprotective and radioprotective properties. It is also an efficient scavenger of radicals produced by radiolysis of water. Gamma-induced reversion of diploid yeast in the presence of this chemical during irradiation have been studied. The dose-modifying factor was in the same range as for survival. When the yeast was irradiated in the frozen state, the observed protection by DMSO disappeared. The results are discussed in terms of direct and indirect actions of radiations and the radical-scavenging ability of this chemical

Synthesis and Nrf2 Activating Ability of Thiourea and Vinyl Sulfoxide Derivatives

Energy Technology Data Exchange (ETDEWEB)

Shim, Young Sun; Hwang, Hyun Sook; Nam, Ghilsoo; Choi, Kyung Il [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

2013-08-15

Thiourea and vinyl sulfoxide derivatives were designed based on the structures of sulforaphene and gallic acid, prepared and tested for HO-1 inducing activity as a measure of Nrf2 activation, and inhibitory effect on NO production as a measure of anti-inflammatory activity. Both series of compounds showed moderate activity on HO-1 induction, and no inhibitory effect on NO production. Interestingly the thiourea compound 6d showed better HO-1 induction (71% SFN) than the corresponding isothiocyanate compound 6a (55% SFN). Overall, it seemed that more efficient electrophile is needed to get more effective Nrf2 activator.

Potentiometric investigation of acid dissociation and anionic homoconjugation equilibria of substituted phenols in dimethyl sulfoxide[Substituted phenols; Acid-base equilibria; Dimethyl sulfoxide (DMSO); Potentiometry

Energy Technology Data Exchange (ETDEWEB)

Czaja, Malgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech. E-mail: lech@chemik.chem.univ.gda.pl

2003-10-01

Standard acidity constants, K{sub a}{sup DMSO} (HA), expressed as pK{sub a}{sup DMSO} (HA) values, and anionic homoconjugation constants, K{sup DMSO}{sub AHA{sup -}}, (in the form of lg K{sup DMSO}{sub AHA{sup -}} values) have been determined for 11 substituted phenol-phenolate systems a polar protophilic aprotic solvent, dimethyl sulfoxide (DMSO) with a potentiometric titration. A linear relationship has been determined between lg K{sup DMSO}{sub AHA{sup -}} and pK{sub a}{sup DMSO} (HA). The tendency towards anionic homoconjugation in these systems increases with increasing pK{sub a}{sup DMSO} (HA) that is with declining phenol acidity. The pK{sub a}{sup DMSO} (HA) are correlated with both pK{sub a}{sup W} (HA) water and other polar non-aqeous solvents.

Measurement of the Absolute Raman Cross Sections of Diethyl Phthalate, Dimethyl Phthalate, Ethyl Cinnamate, Propylene Carbonate, Tripropyl Phosphate, 1,3-Cyclohexanedione, 3’-Aminoacetophenone, 3’-Hydroxyacetophenone, Diethyl Acetamidomalonate, Isovanillin, Lactide, Meldrum’s Acid, p-Tolyl Sulfoxide, and Vanillin

Science.gov (United States)

2013-09-13

Lactide, Meldrum’s Acid , p-Tolyl Sulfoxide, and Vanillin R.L. Aggarwal L.W. Farrar B.G. Saar T.H. Jeys R.B. Goodman 13 September 2013...Aminoacetophenone, 3’-Hydroxyacetophenone, Diethyl Acetamidomalonate, Isovanillin, Lactide, Meldrum’s Acid , p-Tolyl Sulfoxide, and Vanillin R.L...hydroxyacetophenone (HOAP), diethyl acetamidomalonate (DEAM), isovanillin (ISOV), lactide (DODO), Meldrum’s acid (MA), p-tolyl sulfoxide (PTSO), and vanillin

Simultaneous determination of trace amounts of metals by high-performance liquid chromatography after preconcentration with adsorption on chlorotrifluoroethylene polymer as their hexamethylenedithiocarbamate complexes

International Nuclear Information System (INIS)

Shijo, Yoshio; Yoshida, Hideaki; Uehara, Nobuo; Kitamura, Teruo; Yoshimoto, Eiji.

1996-01-01

A method for the simultaneous determination of Bi, Cd, Cu, In, Ni and Pb by high-performance liquid chromatography is presented. These metals are preconcentrated on poly(chlorotrifluoroethylene) resin particles as their hexamethylenedithiocarbamate (HMDC) complexes, and eluted with dimethyl sulfoxide, followed by HPLC separation and determination using an ODS column. The conditions for the adsorption of metal-HMDC complexes, such as the pH, HMDC concentration, amount of the resin particles and elution times with dimethyl sulfoxide, are discussed. The resulting solution is suitable for injection into reversed-phase HPLC. The detection limits for the metals were found to be at sub μgl -1 levels. The application of this principle to the trace analysis of Bi, Cd, Cu, In, Ni and Pb in high-purity aluminum is demonstrated. (author)

Investigation of regularities of uranyl salts complexing with neutral bases in nonaqueous media

International Nuclear Information System (INIS)

Kobets, L.V.; Buchikhin, E.P.

1986-01-01

Anhydrous uranyl chloride complexing with neutral oxygen-containing organic bases (sulfoxides, organic phosphates, phosphinates, phosphinoxides, N-oxides) in the acetone medium depending on the donor capacity of neutral molecules is discussed. The constants of 1:1 complexes dissociation are shown to detect no correlation with the donor capacity of neutral bases. At the same time stability constants of complexes increase as the donor capacity of ligands grows. But the dependence is of a complex character and is determined by the nature of neutral molecules. Estimation of uranyl chloride and 0-donor contributions into the values of stability constants and complex formation heats is given

5,5′-(Ethyne-1,2-diyldiisophthalic acid dimethyl sulfoxide tetrasolvate

Directory of Open Access Journals (Sweden)

Alexander S. Münch

2013-06-01

Full Text Available In the title compound, C18H10O8·4C2H6OS, the mid-point of the triple bond of the main molecule is located on a special position, i.e. about an inversion center. The carboxyl groups are twisted slightly out of the planes of the aromatic rings to which they are attached, making dihedral angles of 24.89 (1 and 7.40 (2°. The cystal packing features strong O—H...O hydrogen bonds, weaker C—H...O interactions and O...S contacts [3.0981 (11 Å] and displays channel-like voids extending along the a-axis direction which contain the dimethyl sulfoxide solvent molecules.

Composition and particle size of electrolytic copper powders prepared in water-containing dimethyl sulfoxide electrolytes

Science.gov (United States)

Mamyrbekova, Aigul'; Abzhalov, B. S.; Mamyrbekova, Aizhan

2017-07-01

The possibility of the electroprecipitation of copper powder via the cathodic reduction of an electrolyte solution containing copper(II) nitrate trihydrate and dimethyl sulfoxide (DMSO) is shown. The effect electrolysis conditions (current density, concentration and temperature of electrolyte) have on the dimensional characteristics of copper powder is studied. The size and shape of the particles of the powders were determined by means of electron microscopy; the qualitative composition of the powders, with X-ray diffraction.

Crystal structure of diaquabis(7-diethylamino-3-formyl-2-oxo-2H-chromen-4-olato-κ2O3,O4zinc(II dimethyl sulfoxide disolvate

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Aaron B. Davis

2016-07-01

Full Text Available The structure of the title coordination complex, [Zn(C14H14NO42(H2O2]·2C2H6OS, shows that the ZnII cation adopts an octahedral geometry and lies on an inversion center. Two organic ligands occupy the equatorial positions of the coordination sphere, forming a chelate ring motif via the O atom on the formyl group and another O atom of the carbonyl group (a pseudo-β-diketone motif. Two water molecules occupy the remaining coordination sites of the ZnII cation in the axial positions. The water molecules are each hydrogen bonded to a single dimethyl sulfoxide molecule that has been entrapped in the crystal lattice.

Formation and stability of calcium complexes of dimethyl sulfoxide in water

Czech Academy of Sciences Publication Activity Database

Jakl, M.; Straka, Michal; Jaklová Dytrtová, Jana; Roithová, J.

2014-01-01

Roč. 360, č. 1 (2014), s. 8-14 ISSN 1387-3806 R&D Projects: GA ČR GP13-21409P Grant - others:GA ČR(CZ) GAP206/12/0539 Institutional support: RVO:61388963 Keywords : bonding energies * DFT * ESI-MS * complexation * speciation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.972, year: 2014

Homogeneous graft copolymerization of styrene onto cellulose in a sulfur dioxide-diethylamine-dimethyl sulfoxide cellulose solvent

International Nuclear Information System (INIS)

Tsuzuki, M.; Hagiwara, I.; Shiraishi, N.; Yokota, T.

1980-01-01

Graft copolymerization of styrene onto cellulose was studied in a homogeneous system [SO 2 (liquid)- diethylamine (DEA)-dimethyl sulfoxide (DMSO) medium)] by γ-ray mutual irradiation technique. At the same time, homopolymerization of styrene was also examined separately in DMSO, SO 2 -DMSO, DEA-DMSO, and SO 2 -DEA-DMSO media by the same technique. Polymerization of styrene hardly occurs on concentrations above 10 mole SO 2 -DEA complex per mole glucose unit. Maximum percent grafting was obtained in concentrations of 4 mole, after which it decreased rapidly. Total conversion and percent grafting increased with the irradiation time. The value (=0.55) of the slope of the total conversion rate plotted against the dose was only a little higher than the 1/2 which was expected from normal kinetics. No retardation in homopolymerization of styrene in DMSO, SO 2 -DMSO, and DEA-DMSO was evident, while the retardation of homopolymerization in the SO 2 -DEA-DMSO medium was measurable. Sulfur atoms were detected in the polymers obtained in both of SO 2 -DMSO and SO 2 -DEA-DMSO solutions. All of the molecular weights of polymers obtained in the present experiment were very low

Laser-induced flourescence studies of Cm3+ complexes in solution

International Nuclear Information System (INIS)

Beitz, J.V.

1989-01-01

Photophysical studies of complexed Cm 3 + in solution have been carried out using a laser-induced fluorescence method. The luminescence decay rate of the first excited J=7/2 state of Cm 3 + was measured using carbonate, nitrate, and two extractant aminocarboxylic acids as complexing ligands in aqueous solution. Cm(ClO 4 ) 3 dissolved in methyl sulfoxide also was studied. Solvent deuteration provided insight into the dominant nonradiative luminescence quenching mechanism which was found to be electronic-to- vibrational energy transfer. Emission spectra of Cm 3 + complexed by the various ligands studied are reported. Prior spectroscopic and photophysical studies of Cm 3 + in solution are reviewed. 24 refs. , 2 figs., 1 tab

Methionine sulfoxide reductase A deficiency exacerbates acute liver injury induced by acetaminophen

International Nuclear Information System (INIS)

Singh, Mahendra Pratap; Kim, Ki Young; Kim, Hwa-Young

2017-01-01

Acetaminophen (APAP) overdose induces acute liver injury via enhanced oxidative stress and glutathione (GSH) depletion. Methionine sulfoxide reductase A (MsrA) acts as a reactive oxygen species scavenger by catalyzing the cyclic reduction of methionine-S-sulfoxide. Herein, we investigated the protective role of MsrA against APAP-induced liver damage using MsrA gene-deleted mice (MsrA −/− ). We found that MsrA −/− mice were more susceptible to APAP-induced acute liver injury than wild-type mice (MsrA +/+ ). The central lobule area of the MsrA −/− liver was more impaired with necrotic lesions. Serum alanine transaminase, aspartate transaminase, and lactate dehydrogenase levels were significantly higher in MsrA −/− than in MsrA +/+ mice after APAP challenge. Deletion of MsrA enhanced APAP-induced hepatic GSH depletion and oxidative stress, leading to increased susceptibility to APAP-induced liver injury in MsrA-deficient mice. APAP challenge increased Nrf2 activation more profoundly in MsrA −/− than in MsrA +/+ livers. Expression and nuclear accumulation of Nrf2 and its target gene expression were significantly elevated in MsrA −/− than in MsrA +/+ livers after APAP challenge. Taken together, our results demonstrate that MsrA protects the liver from APAP-induced toxicity. The data provided herein constitute the first in vivo evidence of the involvement of MsrA in hepatic function under APAP challenge. - Highlights: • MsrA deficiency increases APAP-induced liver damage. • MsrA deletion enhances APAP-induced hepatic GSH depletion and oxidative stress. • MsrA deficiency induces more profound activation of Nrf2 in response to APAP. • MsrA protects the liver from APAP-induced toxicity.

Electrical conductivity of solutions of copper(II) nitrate crystalohydrate in dimethyl sulfoxide

Science.gov (United States)

Mamyrbekova, Aigul K.; Mamitova, A. D.; Mamyrbekova, Aizhan K.

2016-06-01

Conductometry is used to investigate the electric conductivity of Cu(NO3)2 ṡ 3H2O solutions in dimethyl sulfoxide in the 0.01-2.82 M range of concentrations and at temperatures of 288-318 K. The limiting molar conductivity of the electrolyte and the mobility of Cu2+ and NO 3 - ions, the effective coefficients of diffusion of copper(II) ions and nitrate ions, and the degree and constant of electrolytic dissociation are calculated for different temperatures from the experimental results. It is established that solutions containing 0.1-0.6 M copper nitrate trihydrate in DMSO having low viscosity and high electrical conductivity can be used in electrochemical deposition.

DFT Study of dimers of dimethyl sulfoxide in gas phase

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Reza Fazaeli

2014-10-01

Full Text Available Density functional (DFT calculations at M05-2x/aug-cc-pVDZ level were used to analyze the interactions between dimethyl sulfoxide (DMSO dimers. The structures obtained have been ana-lyzed with the Atoms in Molecules (AIMs and Natural Bond Orbital (NBO methodologies. Four minima were located on the potential energy surface of the dimers. Three types of interac-tions are observed, CH•••O, CH•••S hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the sulfur atom. Stabilization energies of dimers including BSSE and ZPE are in the range 27–40 kJmol-1. The most stable conformers of dimers at DFT level is cyclic structure with antiparallel orientation of S=O groups pairing with three C–H∙∙∙O and a S∙∙∙O interactions.

Enantioselective synthesis of the novel chiral sulfoxide derivative as a glycogen synthase kinase 3beta inhibitor.

Science.gov (United States)

Saitoh, Morihisa; Kunitomo, Jun; Kimura, Eiji; Yamano, Toru; Itoh, Fumio; Kori, Masakuni

2010-09-01

Glycogen synthase kinase 3beta (GSK-3beta) inhibitors are expected to be attractive therapeutic agents for the treatment of Alzheimer's disease (AD). Recently we discovered sulfoxides (S)-1 as a novel GSK-3beta inhibitor having in vivo efficacy. We investigated practical asymmetric preparation methods for the scale-up synthesis of (S)-1. The highly enantioselective synthesis of (S)-1 (94% ee) was achieved by titanium-mediated oxidation with D-(-)-diethyl tartrate on gram scale.

Light-induced racemization: artifacts in the analysis of the diastereoisomeric pairs of thioridazine 5-sulfoxide in the plasma and urine of patients treated with thioridazine.

Science.gov (United States)

Eap, C B; Souche, A; Koeb, L; Baumann, P

1991-07-01

The ring sulfoxidation of thioridazine (THD), a widely used neuroleptic agent, yields two diastereoisomeric pairs, fast- and slow-eluting (FE and SE) thioridazine 5-sulfoxide (THD 5-SO). Until now, studies in which concentrations of these metabolites were measured in THD-treated patients have revealed no significant differences in their concentrations. Preliminary experiments in our laboratory had shown that sunlight and, to a lesser extent, dim daylight led to racemization and probably also to photolysis of the diastereoisomeric pairs as measured by high-performance liquid chromatography. Similar results were also obtained with direct UV light (UV lamp). In appropriate light-protected conditions, THD, northioridazine, mesoridazine, sulforidazine, and FE and SE THD 5-SO were measured in 11 patients treated with various doses of THD for at least 1 week. Significantly higher concentrations of the FE stereoisomeric pair were found. The concentration ratios THD 5-SO (FE)/THD 5-SO (SE) ranged from 0.89 to 1.75 in plasma and from 1.15 to 2.05 in urine. Because it is known that the ring sulfoxide contributes to the cardiotoxicity of the drug even more potently than the parent compound does, these results justify further studies to determine whether there is stereoselectivity in the cardiotoxicity of THD 5-SO.

The action of hyperthermia on gene expression in Friend erythroleukemia cells by dimethyl sulfoxide or X-rays

International Nuclear Information System (INIS)

Raaphorst, G.P.; Azzam, E.I.; Einspenner, M.; Ewing, D.; Borsa, J.

1982-02-01

The effect of heat on gene control and on cell killing by X-rays or dimethyl sulfoxide (DMSO) was studied in cultured Friend erythroleukemia cells (FELC). FELC are very sensitive to heat and X-rays in terms of survival, as measured by the colony-forming assay. Heat inactivation kinetics are similar for FELC and Chinese hamster cells. Thermal enhancement of cell inactivation by irradiation was observed at 42.0 and 45.0deg C, and increased as a function of heating time. The simultaneous application of heat and X-rays had a greater effect in terms of cell inactivation. Dimethyl sulfoxide could induce FELC to synthesize hemoglobin, and hyperthermia could inhibit this response. Likewise, hyperthermia could affect induction of heme synthesis by irradiation. Heating before irradiation enhanced production of heme synthesis, whereas heating after irradiation inhibited induction of heme synthesis. The effects of hyperthermia on the survival and gene induction endpoints were compared. Thus, heat can affect both cell survival and gene induction by irradiation or DMSO. The two endpoints of gene induction and survival (proliferative capacity) responded differently, both quantitatively and qualitatively, to heat and X-rays, implying that different cellular targets are affected for each of these endpoints

Solvation of ionic liquids based on N-alkyl-N-methylmorpholinium cations in N,N-dimethylformamide and dimethyl sulfoxide – A volumetric and acoustic study

International Nuclear Information System (INIS)

Marcinkowski, Łukasz; Szepiński, Emil; Kloskowski, Adam; Namieśnik, Jacek; Warmińska, Dorota

2017-01-01

Highlights: • V ϕ of DMSO and DMF solutions of [Mor1,R][BF 4 ] increase with increasing IL concentration at all investigated temperatures. • Ion–ion interaction are stronger for DMF solutions than corresponding for DMSO. • DMSO interacts more effectively with ionic liquids studied than DMF. • Obtained results are the consequence of the cation size of the ionic liquid. - Abstract: Apparent molar volumes and molar isentropic compressibilities for N-ethyl-N-methylmorpholinium and N-decyl-N-methylmorpholinium tetrafluoroborates in N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO) have been determined from density and speed of sound measurements over the temperature range T = (298.15, 303.15, 308.15, 313.15, 318.15 and 328.15) K at experimental pressure p = 0.1 MPa. This data has been used to calculate partial molar volumes and partial molar isentropic compressibilities at infinite dilution. The partial molar expansion coefficients and their secondary derivative have been estimated as well. The obtained results indicate that dimethyl sulfoxide interacts more effectively with ionic liquids studied than N,N-dimetylformamide and ion–ion interaction are stronger for N,N-dimetylformamide solutions than corresponding in dimethyl sulfoxide. Moreover the temperature dependence of the limiting apparent molar volumes and compressibilities is a result of temperature influence on the electrostriction effect, the ordering of a bulk solvent and number solvent molecules in the nearest presence of the salt.

Efficient extraction of xylan from delignified corn stover using dimethyl sulfoxide

Energy Technology Data Exchange (ETDEWEB)

Rowley, John; Decker, Stephen R.; Michener, William; Black, Stuart

2013-09-13

Xylan can be extracted from biomass using either alkali (KOH or NaOH) or dimethyl sulfoxide (DMSO); however, DMSO extraction is the only method that produces a water-soluble xylan. In this study, DMSO extraction of corn stover was studied at different temperatures with the objective of finding a faster, more efficient extraction method. The temperature and time of extraction were compared followed by a basic structural analysis to ensure that no significant structural changes occurred under different temperatures. The resulting data showed that heating to 70 degrees C during extraction can give a yield comparable to room temperature extraction while reducing the extraction time by ~90 %. This method of heating was shown to be the most efficient method currently available and was shown to retain the important structural characteristics of xylan extracted with DMSO at room temperature.

Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand.

Science.gov (United States)

Hossain, M K; Haukka, M; Sillanpää, R; Hrovat, D A; Richmond, M G; Nordlander, E; Lehtonen, A

2017-05-30

The new aminoalcohol phenol 2,4-di-tert-butyl-6-(((2-hydroxy-2-phenylethyl)amino)methyl)phenol (H2L) was prepared by a facile solvent-free synthesis and used as a tridentate ligand for new cis-dioxomolybdenum(vi)(L) complexes. In the presence of a coordinating solvent (DMSO, MeOH, pyridine), the complexes crystallise as monomeric solvent adducts while in the absence of such molecules, a trimer with asymmetric Mo[double bond, length as m-dash]O→Mo bridges crystallises. The complexes can catalyse epoxidation of cis-cyclooctene and sulfoxidation of methyl-p-tolylsulfide, using tert-butyl hydroperoxide as oxidant.

Antiviral activity of platinum (II) and palladium (II) complexes of dimethyl sulfoxide (DMSO) in vitro

International Nuclear Information System (INIS)

Al-Allaf, T.; Rashan, L

1996-01-01

The antiviral activity of complexes cis-[Pt(DMSO) 2 CI 2 ] and trans-[Pd(DMSO) 2 CI 2 ] against the reverse transcriptase enzyme, herpes and influenza viruses have been studied in vitro. Both complexes demonstrated some activity against the reverse transcriptase enzyme in which the inhibition concentration (IC 5 0) of the cis-Pt and the trans-Pd complexes were shown to be 37.6 and 35.5 μ g/ml respectively. This activity was compared with that of the standard reference; the phosphonoformate (PFA). On the other hand, both complexes have no antiviral activity against herpes and influenza viruses No cytotoxic effects on the three cell lines, Raji, K562 and Mrc-5 were demonstrated by these complexes at the concentrations studied in vitro. (authors). 16 refs., 1 tab., 2 figs

Macrocyclic bis(ureas as ligands for anion complexation

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Claudia Kretschmer

2014-08-01

Full Text Available Two macrocyclic bis(ureas 1 and 2, both based on diphenylurea, have been synthesized. Compound 1 represents the smaller ring with two ethynylene groups as linkers and 2 the larger ring with two butadiynylene groups. On thermal treatment to 130 °C molecule 1 splits up into two dihydroindoloquinolinone (3 molecules. Both compounds 1 and 2 form adducts with polar molecules such as dimethyl sulfoxide (DMSO and dimethylformamide (DMF and act as complexing agents towards a series of anions (Cl−, Br−, I−, NO3−, HSO4−. The crystal structures of 3, 2·2DMSO, 2·2DMF, and of the complex NEt4[Br·2] have been determined. Quantitative investigations of the complexation equilibria were performed via 1H NMR titrations. While 1 is a rather weak complexing agent, the large ring of 2 binds anions with association constants up to log K = 7.93 for chloride ions.

Characteristics of the formation of enzyme-bound ATP from medium inorganic phosphate by mitochondrial F1 adenosinetriphosphatase in the presence of dimethyl sulfoxide

International Nuclear Information System (INIS)

Kandpal, R.P.; Stempel, K.E.; Boyer, P.D.

1987-01-01

Addition of dimethyl sulfoxide promotes the formation of enzyme-bound ATP from medium P/sub i/ by mitochondrial F 1 adenosinetriphosphatase that has tightly bound ADP present. Measurements are reported of medium P/sub i/ ↔ H 18 OH exchange and of the dependence of formation of enzyme-bound ATP on P/sub i/ concentration. Attainment of an apparent equilibrium between medium P/sub i/ and bound ATP requires longer than 30 min, even though the rates of P/sub i/ binding and release after apparent equilibrium is reached would suffice for a faster approach to equilibrium. Slow protein conformational changes or other unknown modulating factors may be responsible for the slow rate of bound ATP formation. After apparent equilibrium is reached, each P/sub i/ that binds to the enzyme reversibly forms ATP about 50 times before being released to the medium. The rate of interconversion of bound ATP to bound ADP and P/sub i/ is much slower than that in the absence of dimethyl sulfoxide as measured with sufficient low ATP concentrations so that single-site catalysis is favored. Although the interconversion rate is slowed, the equilibrium constant for bound ATP formation from bound ADP and P/sub i/ is not far from unity. Dimethyl sulfoxide favors the formation of enzyme-bound ATP by promoting the competent binding of P/sub i/ to enzyme with ADP bound at a catalytic site rather than by promoting formation of bound ATP from bound ADP and P/sub i/

Chemiluminescence of curcumin and quenching effect of dimethyl sulfoxide on its peroxyoxalate system

Energy Technology Data Exchange (ETDEWEB)

Yari, Abdollah, E-mail: a.yari@ymail.co [Lorestan University, Department of Chemistry, Flakalaflak Street, 68178-17133 Khorramabad (Iran, Islamic Republic of); Saidikhah, Marzieh [Lorestan University, Department of Chemistry, Flakalaflak Street, 68178-17133 Khorramabad (Iran, Islamic Republic of)

2010-04-15

The chemiluminescence behavior of the reaction between bis(2,4,6-trichlorophenyl)oxalate (TCPO) and hydrogen peroxide, in the presence of curcumin as fluorophore, has been investigated. Experimental factors such as TCPO, sodium salicylate (SS), hydrogen peroxide and curcumin concentration were optimized. The chemiluminescence signal showed a linear decay while dimethyl sulfoxide (DMSO) was added to the peroxyoxalate (PO-CL) system. The reaction resulted in a Stern-Volmer plot with a K{sub q} value of 7.3x10{sup 4}. The evaluated lower and upper detection limits of measurable concentrations of DMSO are 3.50x10{sup -5} and 1.53x10{sup -4} M, respectively. The PO-CL parameters were estimated by computer fitting of the experimental CL intensity to proper models.

Bis[N-(2-aminoethylethane-1,2-diamine-κ3N,N′,N′′]copper(II tris[diamminetetrakis(thiocyanato-κNchromate(III] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate

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Vitalina M. Nikitina

2011-08-01

Full Text Available The ionic title complex, [Cu(C4H13N32]2[Cr(NCS4(NH32]3(NCS·14C2H6OS·H2O, consists of complex [Cu(dien2]2+ cations [dien is N-(2-aminoethylethane-1,2-diamine], complex [Cr(NCS4(NH32]− anions, an NCS− counter-anion and uncoordinated dimethyl sulfoxide (DMSO and water solvent molecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thiocyanate counter-anion and water molecule are disordered over two positions close to an inversion center. There are several types of hydrogen-bond interactions present in the title compound, which connect the complex cations and anions into bulky [Cu2Cr3] polynuclear species. The four NH3 groups of the complex anions and six bridging DMSO O atoms link the three complex anions via hydrogen bonding into the anionic polynuclear species [Cr(NCS4(NH32]3·6DMSO. The last one is connected by four bridging DMSO O atoms with the two complex copper cations through N—H... O hydrogen bonds between the terminal NH3 groups of the anionic polynuclear species and the NH and NH2 groups of the dien ligand. One additional DMSO molecule is connected via hydrogen bonding to one of the terminal NH3 groups of the anionic polynuclear species. Another DMSO molecule is connected via hydrogen bonding to each Cu(dien2]2+ cation.

Solubility of nicotinic acid in water, ethanol, acetone, diethyl ether, acetonitrile, and dimethyl sulfoxide

International Nuclear Information System (INIS)

Gonçalves, Elsa M.; Minas da Piedade, Manuel E.

2012-01-01

Highlights: ► We determined the solubility of nicotinic acid in six solvents by the gravimetric method. ► We found that, regardless of the solvent, the same monoclinic solid phase was in equilibrium with the solution. ► We determined the activity coefficients of nicotinic acid in the six solvents. ► We found that the solubility trends seem to be determined by the polarity and polarizability of the solvent. - Abstract: The mole fraction equilibrium solubility of nicotinic acid in six solvents (water, ethanol, dimethyl sulfoxide, acetone, acetonitrile and diethyl ether) differing in polarity, polarizability, and hydrogen-bonding ability, was determined over the temperature range (283 to 333) K, using the gravimetric method. The results obtained led to the solubility order dimethyl sulfoxide (DMSO) ≫ ethanol > water > acetone > diethyl ether > acetonitrile. An analysis based on various solvent descriptors, indicated that this trend seems to be mainly determined by the polarity and polarizability of the solvent. The activity coefficients of nicotinic acid in the different solvents, under saturation conditions, were determined as a function of the temperature and it was found that DMSO exhibits enhanced solubility relative to an ideal solution while the opposite is observed for all other solvents. Both the solvent and the fact that nicotinic acid is primarily zwitterionic in aqueous solution and non-zwitterionic in non-aqueous media, did not affect the nature of the solid phases in equilibrium with the different solutions. Indeed, X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and differential scanning calorimetry analysis indicated that, despite some differences in particle size and morphology, the starting material and the solid products obtained at the end of the solubility studies in the six solvents used in this work were all crystalline and corresponded to the same monoclinic phase.

Characterization of the chemical reactivity and nephrotoxicity of N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine sulfoxide, a potential reactive metabolite of trichloroethylene.

Science.gov (United States)

Irving, Roy M; Pinkerton, Marie E; Elfarra, Adnan A

2013-02-15

N-Acetyl-S-(1,2-dichlorovinyl)-L-cysteine (NA-DCVC) has been detected in the urine of humans exposed to trichloroethylene and its related sulfoxide, N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine sulfoxide (NA-DCVCS), has been detected as hemoglobin adducts in blood of rats dosed with S-(1,2-dichlorovinyl)-L-cysteine (DCVC) or S-(1,2-dichlorovinyl)-L-cysteine sulfoxide (DCVCS). Because the in vivo nephrotoxicity of NA-DCVCS was unknown, in this study, male Sprague-Dawley rats were dosed (i.p.) with 230 μmol/kg b.w. NA-DCVCS or its potential precursors, DCVCS or NA-DCVC. At 24 h post treatment, rats given NA-DCVC or NA-DCVCS exhibited kidney lesions and effects on renal function distinct from those caused by DCVCS. NA-DCVC and NA-DCVCS primarily affected the cortico-medullary proximal tubules (S(2)-S(3) segments) while DCVCS primarily affected the outer cortical proximal tubules (S(1)-S(2) segments). When NA-DCVCS or DCVCS was incubated with GSH in phosphate buffer pH 7.4 at 37°C, the corresponding glutathione conjugates were detected, but NA-DCVC was not reactive with GSH. Because NA-DCVCS exhibited a longer half-life than DCVCS and addition of rat liver cytosol enhanced GSH conjugate formation, catalysis of GSH conjugate formation by the liver could explain the lower toxicity of NA-DCVCS in comparison with DCVCS. Collectively, these results provide clear evidence that NA-DCVCS formation could play a significant role in DCVC, NA-DCVC, and trichloroethylene nephrotoxicity. They also suggest a role for hepatic metabolism in the mechanism of NA-DCVC nephrotoxicity. Copyright © 2012 Elsevier Inc. All rights reserved.

Potentiometric investigations of molecular heteroconjugation equilibria of substituted phenol+n-butylamine systems in dimethyl sulfoxide

International Nuclear Information System (INIS)

Czaja, MaIgorzata; Baginska, Katarzyna; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech

2005-01-01

Molecular heteroconjugation constants, K BHA DMSO and K AHB DMSO , expressed as their logarithms, have been determined by potentiometric titration for eleven substituted phenol+n-butylamine systems in a polar protophilic aprotic solvent, dimethyl sulfoxide (DMSO). An increasing tendency towards molecular heteroconjugation in these systems without proton transfer has been found with increasing pK a DMSO (HA), i.e., with decreasing phenol acidity. Moreover, a linear correlation has been established between the determined lgK BHA DMSO values and pK a DMSO (HA). Furthermore, overall stability constants, lgK o DMSO , could be correlated linearly with pK a DMSO (HA) values

In Vitro Susceptibilities of the Microsporidia Encephalitozoon cuniculi, Encephalitozoon hellem, and Encephalitozoon intestinalis to Albendazole and Its Sulfoxide and Sulfone Metabolites

Science.gov (United States)

Ridoux, Olivier; Drancourt, Michel

1998-01-01

In vitro comparisons demonstrated that the efficacy of albendazole, albendazole-sulfoxide, and albendazole-sulfone against pathogenic Encephalitozoon species was proportional to the degree of oxidation at a concentration of >10−3 μg/ml. Furthermore, at a concentration of <10−2 μg/ml, benzimidazoles were more effective against Encephalitozoon cuniculi and Encephalitozoon hellem than against Encephalitozoon intestinalis. PMID:9835533

Synthesis and characterization of an iron complex bearing a cyclic tetra-N-heterocyclic carbene ligand: An artifical heme analogue?

KAUST Repository

Anneser, Markus R.

2015-04-20

An iron(II) complex with a cyclic tetradentate ligand containing four N-heterocyclic carbenes was synthesized and characterized by means of NMR and IR spectroscopies, as well as by single-crystal X-ray structure analysis. The iron center exhibits an octahedral coordination geometry with two acetonitrile ligands in axial positions, showing structural analogies with porphyrine-ligated iron complexes. The acetonitrile ligands can readily be substituted by other ligands, for instance, dimethyl sulfoxide, carbon monoxide, and nitric oxide. Cyclic voltammetry was used to examine the electronic properties of the synthesized compounds. © 2015 American Chemical Society.

Vapor pressure, density, viscosity and refractive index of dimethyl sulfoxide + 1,4-dimethylbenzene system

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OANA CIOCIRLAN

2008-01-01

Full Text Available This paper reports the experimental results of isothermal vapor–liquid equilibrium data between 303.15 and 333.15 K, and densities, viscosities, refractive indices from 298.15 to 323.15 K of the dimethyl sulfoxide + 1,4-dimethylbenzene system over the entire range of mixture composition. The obtained PTX data were correlated by the Wilson and NRTL models and estimated by the UNIFAC model. The excess Gibbs energy and activity coefficients were calculated and compared with others excess properties. Excess molar volumes, viscosity deviations and deviations in refractivity were calculated from the experimental data; all the computed quantities were fitted to the Redlich–Kister equation. The resulting excess functions were interpreted in terms of structure and interactions.

Microwave-Assisted Synthesis of Nanoporous Aluminum-Based Coordination Polymers as Catalysts for Selective Sulfoxidation Reaction

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Madhan Vinu

2017-10-01

Full Text Available A series of aluminum-based coordination polymers or metal–organic frameworks (Al–MOFs, i.e., DUT-4, DUT-5, MIL-53, NH2-MIL-53, and MIL-100, have been facile prepared by microwave (MW-assisted reactions and used as catalysts for selective sulfoxidation reactions. The MW-assisted synthesis drastically reduced the reaction time from few days to hours. The prepared MOFs have smaller and uniform particle sizes and better yield compared to conventional hydrothermal method. Furthermore, the Al–MOFs have been successfully demonstrated as catalysts in oxidation reaction of methyl phenyl sulfide with H2O2 as oxidant, even under mild conditions, with more than 95% conversion.

Potentiometric investigation of acid dissociation and anionic homoconjugation equilibria of substituted phenols in dimethyl sulfoxide

International Nuclear Information System (INIS)

Czaja, Malgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech.

2003-01-01

Standard acidity constants, K a DMSO (HA), expressed as pK a DMSO (HA) values, and anionic homoconjugation constants, K DMSO AHA - , (in the form of lg K DMSO AHA - values) have been determined for 11 substituted phenol-phenolate systems a polar protophilic aprotic solvent, dimethyl sulfoxide (DMSO) with a potentiometric titration. A linear relationship has been determined between lg K DMSO AHA - and pK a DMSO (HA). The tendency towards anionic homoconjugation in these systems increases with increasing pK a DMSO (HA) that is with declining phenol acidity. The pK a DMSO (HA) are correlated with both pK a W (HA) water and other polar non-aqeous solvents

Potentiometric investigations of molecular heteroconjugation equilibria of substituted phenol+n-butylamine systems in dimethyl sulfoxide

Energy Technology Data Exchange (ETDEWEB)

Czaja, MaIgorzata [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Baginska, Katarzyna [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Kozak, Anna [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chem.univ.gda.pl

2005-08-15

Molecular heteroconjugation constants, K{sub BHA}{sup DMSO} and K{sub AHB}{sup DMSO}, expressed as their logarithms, have been determined by potentiometric titration for eleven substituted phenol+n-butylamine systems in a polar protophilic aprotic solvent, dimethyl sulfoxide (DMSO). An increasing tendency towards molecular heteroconjugation in these systems without proton transfer has been found with increasing pK{sub a}{sup DMSO} (HA), i.e., with decreasing phenol acidity. Moreover, a linear correlation has been established between the determined lgK{sub BHA}{sup DMSO} values and pK{sub a}{sup DMSO} (HA). Furthermore, overall stability constants, lgK{sub o}{sup DMSO}, could be correlated linearly with pK{sub a}{sup DMSO} (HA) values.

Pulse radiolysis studies of the reactions of bromine atoms and dimethyl sulfoxide bromine atom complexes with alcohols

Science.gov (United States)

Sumiyoshi, Takashi; Fujiyoshi, Ryoko; Katagiri, Miho; Sawamura, Sadashi

2007-05-01

Dimethylsulfoxide (DMSO)-Br complexes were generated by pulse radiolysis of DMSO/bromomethane mixtures and the formation mechanism and spectral characteristics of the formed complexes were investigated in detail. The rate constant for the reaction of bromine atoms with DMSO and the extinction coefficient of the complex were obtained to be 4.6×10 9 M -1 s -1 and 6300 M -1 cm -1 at the absorption maximum of 430 nm. Rate constants for the reaction of bromine atoms with a series of alcohols were determined in CBrCl 3 solutions applying a competitive kinetic method using the DMSO-Br complex as the reference system. The obtained rate constants were ˜10 8 M -1 s -1, one or two orders larger than those reported for highly polar solvents. Rate constants of DMSO-Br complexes with alcohols were determined to be ˜ 10 7 M -1 s -1. A comparison of the reactivities of Br atoms and DMSO-Br complexes with those of chlorine atoms and chlorine atom complexes which are ascribed to hydrogen abstracting reactants strongly indicates that hydrogen abstraction from alcohols is not the rate determining step in the case of Br atoms and DMSO-Br complexes.

Diapause prevention effect of Bombyx mori by dimethyl sulfoxide.

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Takayuki Yamamoto

Full Text Available HCl treatment has been, for about 80 years, the primary method for the prevention of entry into embryonic diapauses of Bombyx mori. This is because no method is as effective as the HCl treatment. In this study, we discovered that dimethyl sulfoxide (DMSO prevented entry into the diapause of the silkworm, Bombyx mori. The effect of diapause prevention was 78% as a result of treatment with 100% DMSO concentration, and the effect was comparable to that of the HCl treatment. In contrast, in the case of non-diapause eggs, hatchability was decreased by DMSO in a concentration-dependent manner. The effect of DMSO was restricted within 24 hours after oviposition of diapause eggs, and the critical period was slightly shorter than the effective period of the HCl treatment. DMSO analogs, such as dimethyl formamide (DMF and dimethyl sulfide (DMS, did little preventive effect against the diapause. Furthermore, we also investigated the permeation effects of chemical compounds by DMSO. When treated with an inhibitor of protein kinase CK2 (CK2 dissolved in DMSO, the prevention rate of the diapause was less than 40%. This means that the inhibition effect by the CK2 inhibitor was the inhibition of embryonic development after diapause prevention by DMSO. These data suggest that DMSO has the effects of preventing from entering into the diapause and permeation of chemicals into diapause eggs.

Singlet oxygen produced by quasi-continuous photo-excitation of hypericin in dimethyl-sulfoxide

Energy Technology Data Exchange (ETDEWEB)

Varchola, J.; Želonková, K. [Department of Biophysics, Faculty of Science, P. J. Šafárik University, Jesenná 5, 041 54 Košice (Slovakia); Chorvat Jr, D. [International Laser Centre, Ilkovicova 3, 841 05 Bratislava (Slovakia); Jancura, D. [Department of Biophysics, Faculty of Science, P. J. Šafárik University, Jesenná 5, 041 54 Košice (Slovakia); Center for Interdisciplinary Biosciences, Faculty of Science, P. J. Šafárik University, Jesenná 5, 041 54 Košice (Slovakia); Miskovsky, P. [Department of Biophysics, Faculty of Science, P. J. Šafárik University, Jesenná 5, 041 54 Košice (Slovakia); International Laser Centre, Ilkovicova 3, 841 05 Bratislava (Slovakia); Center for Interdisciplinary Biosciences, Faculty of Science, P. J. Šafárik University, Jesenná 5, 041 54 Košice (Slovakia); and others

2016-09-15

Singlet oxygen (O{sub 2}({sup 1}Δ{sub g})) production by photo-excited hypericin (Hyp) dissolved in dimethyl-sulfoxide (DMSO) was studied by means of time-resolved phosphorescence measurements. In order to minimize photo-bleaching, the samples were excited in quasi-continuous mode using long-pulse (35 μs) laser excitation. The measured lifetime of singlet oxygen is τ{sub Δ}=5.5±0.3 μs. This result helps to resolve the discrepancy existing in the literature concerning singlet oxygen lifetime in DMSO. The obtained quantum yield of singlet oxygen photosensitized by Hyp in air-saturated DMSO is Φ{sub Δ}=0.4±0.03. The rate constant for Hyp triplet state depopulation in reaction with ground state molecular oxygen is measured to be k{sub q}=1.6±0.3×10{sup 9} M{sup −1} s{sup −1}.

The OH-initiated atmospheric oxidation of divinyl sulfoxide: A theoretical investigation on the reaction mechanism

Science.gov (United States)

Zhang, Weichao; Zhang, Dongju

2012-08-01

The potential energy surfaces for the OH + divinyl sulfoxide reaction in the presence of O2/NO are theoretically characterized at the CCSD(T)/6-311+G(d,p)//BH&HLYP/6-311++G(d,p)+ZPE level of theory. Various possible pathways including the direct hydrogen abstraction channels and the addition-elimination channels are considered. The calculations show that the exclusive feasible entrance channel is the formation of adduct CH2(OH)CHS(O)CHdbnd CH2 (IM1) in the initial reaction pathways. In the atmosphere, the newly formed adduct IM1 can further react with O2/NO to form the dominant products HCHO + C(O)HS(O)CHdbnd CH2 (P9). The calculated results confirm the experimental studies.

Membrane permeability of the human granulocyte to water, dimethyl sulfoxide, glycerol, propylene glycol and ethylene glycol.

Science.gov (United States)

Vian, Alex M; Higgins, Adam Z

2014-02-01

Granulocytes are currently transfused as soon as possible after collection because they rapidly deteriorate after being removed from the body. This short shelf life complicates the logistics of granulocyte collection, banking, and safety testing. Cryopreservation has the potential to significantly increase shelf life; however, cryopreservation of granulocytes has proven to be difficult. In this study, we investigate the membrane permeability properties of human granulocytes, with the ultimate goal of using membrane transport modeling to facilitate development of improved cryopreservation methods. We first measured the equilibrium volume of human granulocytes in a range of hypo- and hypertonic solutions and fit the resulting data using a Boyle-van't Hoff model. This yielded an isotonic cell volume of 378 μm(3) and an osmotically inactive volume of 165 μm(3). To determine the permeability of the granulocyte membrane to water and cryoprotectant (CPA), cells were injected into well-mixed CPA solution while collecting volume measurements using a Coulter Counter. These experiments were performed at temperatures ranging from 4 to 37°C for exposure to dimethyl sulfoxide, glycerol, ethylene glycol, and propylene glycol. The best-fit water permeability was similar in the presence of all of the CPAs, with an average value at 21°C of 0.18 μmatm(-1)min(-1). The activation energy for water transport ranged from 41 to 61 kJ/mol. The CPA permeability at 21°C was 6.4, 1.0, 8.4, and 4.0 μm/min for dimethyl sulfoxide, glycerol, ethylene glycol, and propylene glycol, respectively, and the activation energy for CPA transport ranged between 59 and 68 kJ/mol. Copyright © 2013 Elsevier Inc. All rights reserved.

Leishmania major methionine sulfoxide reductase A is required for resistance to oxidative stress and efficient replication in macrophages.

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Fiona M Sansom

Full Text Available Leishmania are protozoan parasites that proliferate within the phagolysome of mammalian macrophages. While a number of anti-oxidant systems in these parasites have been shown to protect against endogenous as well as host-generated reactive oxygen species, the potential role of enzymes involved in the repair of oxidatively damaged proteins remains uncharacterized. The Leishmania spp genomes encode a single putative methionine sulfoxide reductase (MsrA that could have a role in reducing oxidized free and proteinogenic methionine residues. A GFP-fusion of L. major MsrA was shown to have a cytoplasmic localization by immunofluorescence microscopy and subcellular fractionation. An L. major msrA null mutant, generated by targeted replacement of both chromosomal allelles, was viable in rich medium but was unable to reduce exogenous methionine sulfoxide when cultivated in the presence of this amino acid, indicating that msrA encodes a functional MsrA. The ΔmsrA mutant exhibited increased sensitivity to H(2O(2 compared to wild type parasites and was unable to proliferate normally in macrophages. Wild type sensitivity to H(2O(2 and infectivity in macrophages was restored by complementation of the mutant with a plasmid encoding MsrA. Unexpectedly, the ΔmsrA mutant was able to induce normal lesions in susceptible BALB/c indicating that this protein is not essential for pathogenesis in vivo. Our results suggest that Leishmania MsrA contributes to the anti-oxidative defences of these parasites, but that complementary oxidative defence mechansims are up-regulated in lesion amastigotes.

Role of Helicobacter pylori methionine sulfoxide reductase in urease maturation

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Kuhns, Lisa G.; Mahawar, Manish; Sharp, Joshua S.; Benoit, Stéphane; Maier, Robert J.

2014-01-01

The persistence of the gastric pathogen Helicobacter pylori is due in part to urease and Msr (methionine sulfoxide reductase). Upon exposure to relatively mild (21% partial pressure of O2) oxidative stress, a Δmsr mutant showed both decreased urease specific activity in cell-free extracts and decreased nickel associated with the partially purified urease fraction as compared with the parent strain, yet urease apoprotein levels were the same for the Δmsr and wild-type extracts. Urease activity of the Δmsr mutant was not significantly different from the wild-type upon non-stress microaerobic incubation of strains. Urease maturation occurs through nickel mobilization via a suite of known accessory proteins, one being the GTPase UreG. Treatment of UreG with H2O2 resulted in oxidation of MS-identified methionine residues and loss of up to 70% of its GTPase activity. Incubation of pure H2O2-treated UreG with Msr led to reductive repair of nine methionine residues and recovery of up to full enzyme activity. Binding of Msr to both oxidized and non-oxidized UreG was observed by cross-linking. Therefore we conclude Msr aids the survival of H. pylori in part by ensuring continual UreG-mediated urease maturation under stress conditions. PMID:23181726

Dimethyl Sulfoxide Enhances Effectiveness of Skin Antiseptics and Reduces Contamination Rates of Blood Cultures

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LaSala, Paul R.; Han, Xiang-Yang; Rolston, Kenneth V.; Kontoyiannis, Dimitrios P.

2012-01-01

Effective skin antisepsis is of central importance in the prevention of wound infections, colonization of medical devices, and nosocomial transmission of microorganisms. Current antiseptics have a suboptimal efficacy resulting in substantial infectious morbidity, mortality, and increased health care costs. Here, we introduce an in vitro method for antiseptic testing and a novel alcohol-based antiseptic containing 4 to 5% of the polar aprotic solvent dimethyl sulfoxide (DMSO). The DMSO-containing antiseptic resulted in a 1- to 2-log enhanced killing of Staphylococcus epidermidis and other microbes in vitro compared to the same antiseptic without DMSO. In a prospective clinical validation, blood culture contamination rates were reduced from 3.04% for 70% isopropanol–1% iodine (control antiseptic) to 1.04% for 70% isopropanol–1% iodine–5% DMSO (P antiseptics containing strongly polarized but nonionizing (polar aprotic) solvents. PMID:22378911

Characterization of the chemical reactivity and nephrotoxicity of N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine sulfoxide, a potential reactive metabolite of trichloroethylene

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Irving, Roy M. [Molecular and Environmental Toxicology Center, University of Wisconsin-Madison, Madison, WI 53706 (United States); Pinkerton, Marie E. [Department of Pathobiological Sciences, University of Wisconsin-Madison, Madison, WI 53706 (United States); Elfarra, Adnan A., E-mail: elfarra@svm.vetmed.wisc.edu [Molecular and Environmental Toxicology Center, University of Wisconsin-Madison, Madison, WI 53706 (United States); Department of Comparative Biosciences, University of Wisconsin-Madison, Madison, WI 53706 (United States)

2013-02-15

N-Acetyl-S-(1,2-dichlorovinyl)-L-cysteine (NA-DCVC) has been detected in the urine of humans exposed to trichloroethylene and its related sulfoxide, N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine sulfoxide (NA-DCVCS), has been detected as hemoglobin adducts in blood of rats dosed with S-(1,2-dichlorovinyl)-L-cysteine (DCVC) or S-(1,2-dichlorovinyl)-L-cysteine sulfoxide (DCVCS). Because the in vivo nephrotoxicity of NA-DCVCS was unknown, in this study, male Sprague–Dawley rats were dosed (i.p.) with 230 μmol/kg b.w. NA-DCVCS or its potential precursors, DCVCS or NA-DCVC. At 24 h post treatment, rats given NA-DCVC or NA-DCVCS exhibited kidney lesions and effects on renal function distinct from those caused by DCVCS. NA-DCVC and NA-DCVCS primarily affected the cortico-medullary proximal tubules (S{sub 2}–S{sub 3} segments) while DCVCS primarily affected the outer cortical proximal tubules (S{sub 1}–S{sub 2} segments). When NA-DCVCS or DCVCS was incubated with GSH in phosphate buffer pH 7.4 at 37 °C, the corresponding glutathione conjugates were detected, but NA-DCVC was not reactive with GSH. Because NA-DCVCS exhibited a longer half-life than DCVCS and addition of rat liver cytosol enhanced GSH conjugate formation, catalysis of GSH conjugate formation by the liver could explain the lower toxicity of NA-DCVCS in comparison with DCVCS. Collectively, these results provide clear evidence that NA-DCVCS formation could play a significant role in DCVC, NA-DCVC, and trichloroethylene nephrotoxicity. They also suggest a role for hepatic metabolism in the mechanism of NA-DCVC nephrotoxicity. - Highlights: ► NA-DCVCS and NA-DCVC toxicity are distinct from DCVCS toxicity. ► NA-DCVCS readily reacts with GSH to form mono- and di-GSH conjugates. ► Liver glutathione S-transferases enhance NA-DCVCS GSH conjugate formation. ► Renal localization of lesions suggests a role for NA-DCVCS in TCE nephrotoxicity.

Characterization of the chemical reactivity and nephrotoxicity of N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine sulfoxide, a potential reactive metabolite of trichloroethylene

International Nuclear Information System (INIS)

Irving, Roy M.; Pinkerton, Marie E.; Elfarra, Adnan A.

2013-01-01

N-Acetyl-S-(1,2-dichlorovinyl)-L-cysteine (NA-DCVC) has been detected in the urine of humans exposed to trichloroethylene and its related sulfoxide, N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine sulfoxide (NA-DCVCS), has been detected as hemoglobin adducts in blood of rats dosed with S-(1,2-dichlorovinyl)-L-cysteine (DCVC) or S-(1,2-dichlorovinyl)-L-cysteine sulfoxide (DCVCS). Because the in vivo nephrotoxicity of NA-DCVCS was unknown, in this study, male Sprague–Dawley rats were dosed (i.p.) with 230 μmol/kg b.w. NA-DCVCS or its potential precursors, DCVCS or NA-DCVC. At 24 h post treatment, rats given NA-DCVC or NA-DCVCS exhibited kidney lesions and effects on renal function distinct from those caused by DCVCS. NA-DCVC and NA-DCVCS primarily affected the cortico-medullary proximal tubules (S 2 –S 3 segments) while DCVCS primarily affected the outer cortical proximal tubules (S 1 –S 2 segments). When NA-DCVCS or DCVCS was incubated with GSH in phosphate buffer pH 7.4 at 37 °C, the corresponding glutathione conjugates were detected, but NA-DCVC was not reactive with GSH. Because NA-DCVCS exhibited a longer half-life than DCVCS and addition of rat liver cytosol enhanced GSH conjugate formation, catalysis of GSH conjugate formation by the liver could explain the lower toxicity of NA-DCVCS in comparison with DCVCS. Collectively, these results provide clear evidence that NA-DCVCS formation could play a significant role in DCVC, NA-DCVC, and trichloroethylene nephrotoxicity. They also suggest a role for hepatic metabolism in the mechanism of NA-DCVC nephrotoxicity. - Highlights: ► NA-DCVCS and NA-DCVC toxicity are distinct from DCVCS toxicity. ► NA-DCVCS readily reacts with GSH to form mono- and di-GSH conjugates. ► Liver glutathione S-transferases enhance NA-DCVCS GSH conjugate formation. ► Renal localization of lesions suggests a role for NA-DCVCS in TCE nephrotoxicity

An efficency of use phonophoresis with an ointment on the basis of chondroitin sulfate and dimetil sulfoxide at the treatment of patients with arthritis of knee joints

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Виктор Александрович Вишневский

2015-06-01

Full Text Available Osteoarthritis is a frequent disease in people especially of the mean and elderly age.Aim of research: the study of an efficiency of phonophoresis with an ointment on the basis of chondroitin sulfate and dimethyl sulfoxide at treatment of patients with osteoarthritis of knee joints in the outpatient setting.  Material and methods. Research was carried out by the clinical and laboratory examinations of 40 patients with osteoarthritis of knee joints in the outpatient setting.   Patients were distributed between the main and control group depending on an approach to treatment. Indicators before and after treatment in all patients were assessed on 2 scales: the scale of assessment of knee joints (on J.N. Insall et al 1976 - (7 points and 2 Oxford scale for knee joints (on W. Dawson et al, 1998 - (12 point. The level of oxyproline in daily urine was examined in all patients.Results and discussions. The degree of manifestation of pain syndrome, movement amplitude and an everyday motor activity are the parameters of an efficiency of treatment.Author noticed the more apparent efficiency of treatment in patients of the main group who underwent phonophoresis after rubbing an ointment on the basis of chondroitin sulfate in the region of injured knee joint.Disappearance of pains after 10 PhPh with an ointment on the basis of chondroitin sulfate and dimethyl sulfoxide was noticed in 6 (30% patients and diminution of pain intensity in 12 (60% patients. So the general efficiency of treatment is 90% in the main group in relation to 70% of general efficiency of treatment without use this ointment in the control group.Conclusions. 1. Phonophoresis with an ointment on the basis of chondroitin sulfate and dimethyl sulfoxide is a safe and rather effective method of treatment patients with osteoarthritis of knee joints of I-III radiographic stage, an efficiency of treatment is 90%.2. The use of phonophoresis with an ointment containing combination of chondroitin

Dimethyl sulfoxide and sodium bicarbonate in the treatment of refractory cancer pain.

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Hoang, Ba X; Tran, Dao M; Tran, Hung Q; Nguyen, Phuong T M; Pham, Tuan D; Dang, Hong V T; Ha, Trung V; Tran, Hau D; Hoang, Cuong; Luong, Khue N; Shaw, D Graeme

2011-01-01

Pain is a major concern of cancer patients and a significant problem for therapy. Pain can become a predominant symptom in advanced cancers. In this open-label clinical study, the authors have treated 26 cancer patients who have been declared as terminal without the option of conventional treatment. These patients suffered from high levels of pain that was poorly managed by all available interventional approaches recommended by World Health Organization (WHO) guideline. The results indicate that intravenous infusion of dimethyl sulfoxide (DMSO) and sodium bicarbonate (SB) solution can be a viable, effective, and safe treatment for refractory pain in cancer patients. These patients had pain due to the disease progression and complication of chemotherapy and radiation. Moreover, the preliminary clinical outcome of 96-day follow-up suggests that the application of DMSO and SB solution intravenously could lead to better quality of life for patients with nontreatable terminal cancers. The data of this clinical observation indicates that further research and application of the DMSO and SB combination may help the development of an effective, safe, and inexpensive therapy to manage cancer pain.

Trans-ligand-dependent arrangement (bent or linear) of Pt II-bound dialkylcyanamide ligands: Molecular structure of trans-dichloro(dimethylcyanamide)(dimethyl sulfoxide)platinum(II)

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Anisimova, Tatyana B.; Bokach, Nadezhda A.; Fritsky, Igor O.; Haukka, Matti

2011-11-01

The title compound, trans-[PtCl 2(NCNMe 2)(Me 2SO)], is the first example of the structurally characterized Pt II species having the nitrile and the sulfoxide ligands in the trans-position to each other. The most significant feature of this structure is the non-linear arrangement of the Pt sbnd N1 sbnd C1 fragment providing the rare case of the bent form of the dialkylcyanamide ligand.

The effect of microinjection of dimethyl sulfoxide into the rostral ventromedial medulla on swim stress-induced analgesia

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S. Nazemi

2018-02-01

Full Text Available Background: Dimethyl sulfoxide (DMSO is an important solvent for compounds that used in pain research. Rostral ventromedial medulla (RVM plays an important role in modulating nociception and stress-induced analgesia (SIA. Objective: The aim of this study was to investigate the effect of DMSO administration into the RVM on SIA by using formalin test. Methods: This experimental study was conducted on 27 Wistar male rats (200±30 gr were randomly assigned to control, stress and stress+DMSO groups. Animals were placed in a water reservoir (20±1°C for 3 minutes to induce forced swimming stress. Stereotaxic surgery was performed to microinjection of DMSO (0.5μl, 100% into RVM. The pain behavior score was evaluated by subcutaneous injection of formalin 2% in the dorsal plantar region of hid paw. Findings: The pain score of phase 1, interphase and phase 2 of formalin test in swim stress group decreased significantly in comparison to control group (P<0.001, P< 0.05, P<0.001 respectively. In addition, the pain score of three phase of formalin test after DMSO injection in swim stress group decreased significantly in comparison to control and stress group (P<0.001, P<0.05 respectively. Conclusion: Also microinjections of DMSO into the RVM potentiate the swim stress analgesia. According to the analgesic effects of dimethyl sulfoxide, as well as its ability to potentiate stressinduced analgesia, DMSO should be used with caution as a solvent in pain studies. Conclusion: Force swim stress induces analgesia in, and microinjections of DMSO into the RVM potentiate the swim stress analgesia. According to the analgesic effects of DMSO, as well as its ability to potentiate stress-induced analgesia, it should be used with caution as solvent in pain studies.

A conductivity study of preferential solvation of lithium ion in acetonitrile-dimethyl sulfoxide mixtures

International Nuclear Information System (INIS)

Mozhzhukhina, Nataliia; Longinotti, M. Paula; Corti, Horacio R.; Calvo, Ernesto J.

2015-01-01

The electrical mobility of LiPF 6 in acetonitrile–dimethyl sulfoxide (ACN–DMSO) mixtures, a potential electrolyte in oxygen cathodes of lithium-air batteries, has been studied using a very precise conductance technique, which allowed the determination of the infinite dilution molar conductivity and association constant of the salt in the whole composition range. In the search for preferential Li + ion solvation, we also measured the electrical conductivity of tetrabutylammonium hexafluorophosphate (TBAPF 6 ), a salt formed by a bulky cation, over the same composition range. The results show a qualitative change in the curvature of the LiPF 6 molar conductivity composition dependence for ACN molar fraction (x ACN ) ∼ 0.95, which was not observed for TBAPF 6 . The dependence of the measured Li/Li + couple potential with solvent composition also showed a pronounced change around the same composition. We suggest that these observations can be explained by Li + ion preferential solvation by DMSO in ACN–DMSO mixtures with very low molar fractions of DMSO

Lack of effect of deferoxamine, dimethyl sulfoxide, and catalase on monocrotaline pyrrole pulmonary injury

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Bruner, L.H.; Johnson, K.; Carpenter, L.J.; Roth, R.A.

1987-01-01

Monocrotaline pyrrole (MCTP) is a reactive metabolite of the pyrrolizidine alkaloid monocrotaline. MCTP given intravenously to rats causes pulmonary hypertension and right ventricular hypertrophy. Lesions in lungs after MCTP treatment contain macrophages and neutrophils, which may contribute to the damage by generation of reactive oxygen metabolites. Rats were treated with MCTP and agents known to protect against oxygen radical-mediated damage in acute models of neutrophil-dependent lung injury. Rats received MCTP and deferoxamine mesylate (DF), dimethyl sulfoxide (DMSO), or polyethylene glycol-coupled catalase (PEG-CAT). MCTP/vehicle-treated controls developed lung injury manifested as increased lung weight, release of lactate dehydrogenase into the airway, and sequestration of 125 I-labeled bovine serum albumin in the lungs. Cotreatment of rats with DF, DMSO, or PEG-CAT did not protect against the injury due to MCTP. These results suggest that toxic oxygen metabolites do not play an important role in the pathogenesis of MCTP-induced pulmonary injury

Lack of effect of deferoxamine, dimethyl sulfoxide, and catalase on monocrotaline pyrrole pulmonary injury

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Bruner, L.H.; Johnson, K.; Carpenter, L.J.; Roth, R.A.

1987-01-01

Monocrotaline pyrrole (MCTP) is a reactive metabolite of the pyrrolizidine alkaloid monocrotaline. MCTP given intravenously to rats causes pulmonary hypertension and right ventricular hypertrophy. Lesions in lungs after MCTP treatment contain macrophages and neutrophils, which may contribute to the damage by generation of reactive oxygen metabolites. Rats were treated with MCTP and agents known to protect against oxygen radical-mediated damage in acute models of neutrophil-dependent lung injury. Rats received MCTP and deferoxamine mesylate (DF), dimethyl sulfoxide (DMSO), or polyethylene glycol-coupled catalase (PEG-CAT). MCTP/vehicle-treated controls developed lung injury manifested as increased lung weight, release of lactate dehydrogenase into the airway, and sequestration of SVI-labeled bovine serum albumin in the lungs. Cotreatment of rats with DF, DMSO, or PEG-CAT did not protect against the injury due to MCTP. These results suggest that toxic oxygen metabolites do not play an important role in the pathogenesis of MCTP-induced pulmonary injury.

Peptide methionine sulfoxide reductase A (MsrA): direct electrochemical oxidation on carbon electrodes.

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Enache, T A; Oliveira-Brett, A M

2013-02-01

The direct electrochemical behaviour of peptide methionine sulfoxide reductase A (MsrA) adsorbed on glassy carbon and boron doped diamond electrodes surface, was studied over a wide pH range by cyclic and differential pulse voltammetry. MsrA oxidation mechanism occurs in three consecutive, pH dependent steps, corresponding to the oxidation of tyrosine, tryptophan and histidine amino acid residues. At the glassy carbon electrode, the first step corresponds to the oxidation of tyrosine and tryptophan residues and occurs for the same potential. The advantage of boron doped diamond electrode was to enable the separation of tyrosine and tryptophan oxidation peaks. On the second step occurs the histidine oxidation, and on the third, at higher potentials, the second tryptophan oxidation. MsrA adsorbs on the hydrophobic carbon electrode surface preferentially through the three hydrophobic domains, C1, C2 and C3, which contain the tyrosine, tryptophan and histidine residues, and tryptophan exists only in these regions, and undergo electrochemical oxidation. Copyright © 2012 Elsevier B.V. All rights reserved.

Genomic Analysis of Anaerobic Respiration in the Archaeon Halobacterium sp. Strain NRC-1: Dimethyl Sulfoxide and Trimethylamine N-Oxide as Terminal Electron Acceptors†

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Müller, Jochen A.; DasSarma, Shiladitya

2005-01-01

We have investigated anaerobic respiration of the archaeal model organism Halobacterium sp. strain NRC-1 by using phenotypic and genetic analysis, bioinformatics, and transcriptome analysis. NRC-1 was found to grow on either dimethyl sulfoxide (DMSO) or trimethylamine N-oxide (TMAO) as the sole terminal electron acceptor, with a doubling time of 1 day. An operon, dmsREABCD, encoding a putative regulatory protein, DmsR, a molybdopterin oxidoreductase of the DMSO reductase family (DmsEABC), and...

Synthesis of New Chiral Ligands Based on Thiophene Derivatives for Use in Catalytic Asymmetric Oxidation of Sulfides

International Nuclear Information System (INIS)

Jeong, Yong Chul; Ahn, Dae Jun; Lee, Woo Sun; Lee, Seung Han; Ahn, Kwang Hyun

2011-01-01

We discovered that the vanadium complexes of new Schiff base ligands and prepared from thiophene derivatives efficiently catalyze the asymmetric oxidation of sulfides by hydrogen peroxide to provide sulfoxides with enantioselectivities up to 79% ee and in yields up to 89%. Notably, Schiff base showed better or similar enantioselectivity than the well-studied Schiff base. These results suggest possible applications of Schiff bases derived from and in other catalytic asymmetric reactions. Chiral sulfoxides are important functional groups for various applications. For example, the biological activities of sulfoxide containing drugs such as omeprazole are strongly related to the chirality of the sulfoxide group; for this reason, esomeprazole, the enantiomerically pure form of omeprazole, was later developed. There are several chiral sulfoxide based drugs that have been introduced by the pharmaceutical industry including armodafinil, aprikalim, oxisurane, and ustiloxin. Chiral sulfoxides have also been utilized as chiral auxiliaries in asymmetric syntheses of chiral intermediates

Solvation Effect on Complexation of Alkali Metal Cations by a Calix[4]arene Ketone Derivative.

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Požar, Josip; Nikšić-Franjić, Ivana; Cvetnić, Marija; Leko, Katarina; Cindro, Nikola; Pičuljan, Katarina; Borilović, Ivana; Frkanec, Leo; Tomišić, Vladislav

2017-09-14

The medium effect on the complexation of alkali metal cations with a calix[4]arene ketone derivative (L) was systematically examined in methanol, ethanol, N-methylformamide, N,N-dimethylformamide, dimethyl sulfoxide, and acetonitrile. In all solvents the binding of Na + cation by L was rather efficient, whereas the complexation of other alkali metal cations was observed only in methanol and acetonitrile. Complexation reactions were enthalpically controlled, while ligand dissolution was endothermic in all cases. A notable influence of the solvent on NaL + complex stability could be mainly attributed to the differences in complexation entropies. The higher NaL + stability in comparison to complexes with other alkali metal cations in acetonitrile was predominantly due to a more favorable complexation enthalpy. The 1 H NMR investigations revealed a relatively low affinity of the calixarene sodium complex for inclusion of the solvent molecule in the calixarene hydrophobic cavity, with the exception of acetonitrile. Differences in complex stabilities in the explored solvents, apart from N,N-dimethylformamide and acetonitrile, could be mostly explained by taking into account solely the cation and complex solvation. A considerable solvent effect on the complexation equilibria was proven to be due to an interesting interplay between the transfer enthalpies and entropies of the reactants and the complexes formed.

Effect of the water content on the retention and enantioselectivity of albendazole and fenbendazole sulfoxides using amylose-based chiral stationary phases in organic-aqueous conditions.

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Materazzo, Sabrina; Carradori, Simone; Ferretti, Rosella; Gallinella, Bruno; Secci, Daniela; Cirilli, Roberto

2014-01-31

Four commercially available immobilized amylose-derived CSPs (Chiralpak IA-3, Chiralpak ID-3, Chiralpak IE-3 and Chiralpak IF-3) were used in the HPLC analysis of the chiral sulfoxides albendazole (ABZ-SO) and fenbendazole (FBZ-SO) and their in vivo sulfide precursor (ABZ and FBZ) and sulfone metabolite (ABZ-SO2 and FBZ-SO2) under organic-aqueous mode. U-shape retention maps, established by varying the water content in the acetonitrile- and ethanol-water mobile phases, were indicative of two retention mechanisms operating on the same CSP. The dual retention behavior of polysaccharide-based CSPs was exploited to design greener enantioselective and chemoselective separations in a short time frame. The enantiomers of ABZ-SO and FBZ-SO were baseline resolved with water-rich mobile phases (with the main component usually being 50-65% water in acetonitrile) on the IF-3 CSP and ethanol-water 100:5 mixture on the IA-3 and IE-3 CSPs. A simultaneous separation of ABZ (or FBZ), enantiomers of the corresponding sulfoxide and sulfone was achieved on the IA-3 using ethanol-water 100:60 (acetonitrile-water 100:100 for FBZ) as a mobile phase. Copyright © 2014 Elsevier B.V. All rights reserved.

Induction of sister chromatid exchange in the presence of gadolinium-DTPA and its reduction by dimethyl sulfoxide

International Nuclear Information System (INIS)

Yamazaki, Etsuo; Fukuda, Hozumi; Shibuya, Hitoshi; Matsubara, Sho

1996-01-01

The authors investigate the frequency of sister chromatid exchange (SCE) after the addition of gadolinium (Gd)-DTPA to venous blood samples. Venous blood was obtained from nonsmokers. Samples were incubated with Gd-DTPA alone or in combination with mitomycin C, cytarabine, and dimethyl sulfoxide (DMSO), and then evaluated for SCEs. The frequency of SCE increased with the concentration of Gd-DTPA and as each chemotherapeutic agent was added. Sister chromatid exchange frequencies were lower when the blood was treated with a combination of Gd-DTPA and DMSO compared with Gd-DTPA alone. The increase in frequency of SCE seen after the addition of Gd-DTPA was decreased by the addition of DMSO, indicating the production of hydroxyl radicals. The effect likely is dissociation-related. 14 refs., 6 tabs

Scolicidal and apoptotic activities of albendazole sulfoxide and albendazole sulfoxide-loaded PLGA-PEG as a novel nanopolymeric particle against Echinococcus granulosus protoscoleces.

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Naseri, Marziyeh; Akbarzadeh, Abolfazl; Spotin, Adel; Akbari, Nagibeh Asl Rahnemaii; Mahami-Oskouei, Mahmoud; Ahmadpour, Ehsan

2016-12-01

Treatment failures of human cystic echinococcosis (CE) with albendazole (ABZ) have attributed to its low solubility and poor drug absorption rate, resulting in low drug level in plasma. The scolicidal effects of ABZ-loaded liposome nanoparticles have recently evaluated; however, these particles have several challenges due to their low encapsulated load. This investigation was designed to evaluate and compare in vitro apoptotic activities of ABZ sulfoxide (ABZs) and ABZs-loaded poly(lactic-co-glycolic acid) (PLGA)-PEG against protoscoleces (PSCs). ABZs-loaded PLGA-PEG was prepared by a double-emulsion method (W1/O/W2). Various concentrations of ABZs and ABZs-loaded PLGA-PEG (50, 100, 150, and 200 μg/ml) were experimentally tested against PSC of CE at different exposure times (5, 10, 20, 30, and 60 min). ABZs-loaded PLGA-PEG at concentrations of 150 and 200 μg/ml was able to act at a 100 % scolicidal rate in all exposure times (5 to 60 min), while ABZs at a concentration of 200 μg/ml demonstrated 94, 100, and 100 % mortality rates following 20, 30, and 60 min of exposure times, respectively. The messenger RNA (mRNA) expression of caspase-3 was assessed by semi-quantitative RT-PCR after 15 h of exposure. Caspase-3 mRNA expression was higher in both PSC treated with ABZs and PSC treated with ABZs-loaded PLGA-PEG than that in control groups (P  0.05). DNA fragmentation assay and ultrastructural changes revealed that ABZs and ABZs-loaded PLGA-PEG induced the apoptosis of PSC by activation of caspase-3. The higher permeability and scolicidal rate of ABZs-loaded PLGA-PEG can be addressed as an effectual alternative strategy to improve the treatment of human CE.

Regulation of Expression of Oxacillin-Inducible Methionine Sulfoxide Reductases in Staphylococcus aureus

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Kyle R. Baum

2015-01-01

Full Text Available Cell wall-active antibiotics cause induction of a locus that leads to elevated synthesis of two methionine sulfoxide reductases (MsrA1 and MsrB in Staphylococcus aureus. To understand the regulation of this locus, reporter strains were constructed by integrating a DNA fragment consisting of the msrA1/msrB promoter in front of a promoterless lacZ gene in the chromosome of wild-type and MsrA1-, MsrB-, MsrA1/MsrB-, and SigB-deficient methicillin-sensitive S. aureus strain SH1000 and methicillin-resistant S. aureus strain COL. These reporter strains were cultured in TSB and the cellular levels of β-galactosidase activity in these cultures were assayed during different growth phases. β-galactosidase activity assays demonstrated that the lack of MsrA1, MsrB, and SigB upregulated the msrA1/msrB promoter in S. aureus strain SH1000. In S. aureus strain COL, the highest level of β-galactosidase activity was observed under the conditions when both MsrA1 and MsrB proteins were absent. The data suggest that the msrA1/msrB locus, in part, is negatively regulated by MsrA1, MsrB, and SigB in S. aureus.

Behavioural effects of dimethyl sulfoxide (DMSO): changes in sleep architecture in rats.

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Cavas, María; Beltrán, David; Navarro, José F

2005-07-04

Dimethyl sulfoxide (DMSO) is an efficient solvent for water-insoluble compounds, widely used in biological studies and as a vehicle for drug therapy, but few data on its neurotoxic or behavioural effects is available. The aim of this work is to explore DMSO's effects upon sleep/wake states. Twenty male rats were sterotaxically prepared for polysomnography. Four concentrations of DMSO (5%, 10%, 15%, and 20%, in saline) were examined. DMSO or saline were administered intraperitoneally at the beginning of the light period. Three hours of polygraphic recording were evaluated for stages of vigilance after treatment. Sleep/wake parameters and EEG power spectral analyses during sleep were investigated. Results show no significant effect after 5% or 10% DMSO treatment. DMSO 15% increased mean episode duration of light slow wave sleep (SWS), decreasing mean episode duration of deep SWS and of quiet wake (QW). DMSO 20% increased light SWS enhancing number of episodes, while decreased deep SWS mean episode duration. EEG power spectra of sigma and delta activity were also affected by DMSO. Therefore, DMSO at 15% and 20% affects sleep architecture in rats, increasing light SWS and reducing deep SWS. Being aware of DMSO behavioural effects seems important since experimental artefacts caused by DMSO can lead to the erroneous interpretation of results.

Densities and volumetric properties of a (xylene + dimethyl sulfoxide) at temperature from (293.15 to 353.15) K

International Nuclear Information System (INIS)

Wang Haijun; Liu Wei; Huang Jihou

2004-01-01

The densities of (o-xylene, or m-xylene, or p-xylene + dimethyl sulfoxide) were measured at temperatures (293.15, 303.15, 313.15, 323.15, 333.15, 343.15, 353.15) K and atmospheric pressure by means of a vibrating-tube densimeter. The excess molar volume V m E calculated from the density data provide the temperature dependence of V m E in the temperature range of (293.15 to 353.15) K. The V m E results were correlated using the fourth-order Redlich-Kister equation, with the maximum likelihood principle being applied for the determination of the adjustable parameters. Also we have calculated partial molar volume and excess partial molar volumes of two components. It was found that the V m E in the systems studied increase with rising temperature

Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes as catalysts for the oxidative desulfurization of model fuel diesel.

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Maurya, Mannar R; Arya, Aarti; Kumar, Amit; Kuznetsov, Maxim L; Avecilla, Fernando; Costa Pessoa, João

2010-07-19

The Schiff base (Hfsal-dmen) derived from 3-formylsalicylic acid and N,N-dimethyl ethylenediamine has been covalently bonded to chloromethylated polystyrene to give the polymer-bound ligand, PS-Hfsal-dmen (I). Treatment of PS-Hfsal-dmen with [V(IV)O(acac)(2)] in the presence of MeOH gave the oxidovanadium(IV) complex PS-[V(IV)O(fsal-dmen)(MeO)] (1). On aerial oxidation in methanol, complex 1 was oxidized to PS-[V(V)O(2)(fsal-dmen)] (2). The corresponding neat complexes, [V(IV)O(sal-dmen)(acac)] (3) and [V(V)O(2)(sal-dmen)] (4) were similarly prepared. All these complexes are characterized by various spectroscopic techniques (IR, electronic, NMR, and electron paramagnetic resonance (EPR)) and thermal as well as field-emission scanning electron micrographs (FE-SEM) studies, and the molecular structures of 3 and 4 were determined by single crystal X-ray diffraction. The EPR spectrum of the polymer supported V(IV)O-complex 1 is characteristic of magnetically diluted V(IV)O-complexes, the resolved EPR pattern indicating that the V(IV)O-centers are well dispersed in the polymer matrix. A good (51)V NMR spectrum could also be measured with 4 suspended in dimethyl sulfoxide (DMSO), the chemical shift (-503 ppm) being compatible with a VO(2)(+)-center and a N,O binding set. The catalytic oxidative desulfurization of organosulfur compounds thiophene, dibenzothiophene, benzothiophene, and 2-methyl thiophene (model of fuel diesel) was carried out using complexes 1 and 2. The sulfur in model organosulfur compounds oxidizes to the corresponding sulfone in the presence of H(2)O(2). The systems 1 and 2 do not loose efficiency for sulfoxidation at least up to the third cycle of reaction, this indicating that they preserve their integrity under the conditions used. Plausible intermediates involved in these catalytic processes are established by UV-vis, EPR, (51)V NMR, and density functional theory (DFT) studies, and an outline of the mechanism is proposed. The (51)V NMR spectra

Elution behavior of N-heterocyclic derivatives of mixed ruthenium(II)-sulfoxide complexes in reversed-phase high-performance liquid chromatography

International Nuclear Information System (INIS)

Toma, H.E.; Silva, D.O.

1991-01-01

The elution behaviour of a series of dichlorobis-(dimethylsulfoxide)bis(N-heterocyclic) ruthenium(II) complexes has been investigated using reversed-phase HPLC. Similar trends as those displayed by the free N-heterocyclic bases have been observed for the complexes, essentially reflecting the hydrophobic properties of the aromatic ligands. (orig.)

Measuring the success of combined intravesical dimethyl sulfoxide and triamcinolone for treatment of bladder pain syndrome/interstitial cystitis.

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Gafni-Kane, Adam; Botros, Sylvia M; Du, Hongyan; Sand, Robert I; Sand, Peter K

2013-02-01

The purpose of this study was to investigate change in bladder capacity as a measure of response to combined intravesical dimethyl sulfoxide (DMSO) and triamcinolone instillations for the treatment of newly diagnosed bladder pain syndrome/interstitial cystitis (BPS/IC). 141 newly diagnosed women were identified retrospectively. 79 were treated with weekly DMSO/triamcinolone instillations. Change in bladder capacity with bladder retrofill, daytime urinary frequency, nocturia episodes per night, and Likert scale symptom scores were reviewed. Wilcoxon signed-rank tests, Wilcoxon rank-sum tests, Spearman's rank correlations, COX regression analysis, and a Kaplan-Meier survival curve were performed. Significant changes (median (25(th)-percentile to 75(th)-percentile) were noted for bladder capacity (75 mL (25 to 130 mL), p measure of response to intravesical DMSO/triamcinolone for newly diagnosed BPS/IC. Clinical outcomes do not differ based upon presence of DO.

Regularities of thermochemical characteristics of 1-1, 2-1, 3-1 electrolyte solutions in dimethyl sulfoxide-water and propylene carbonate water mixtures

International Nuclear Information System (INIS)

Vorob'ev, A.F.; Monaenkova, A.S.; AlekseeV, G.I.

1987-01-01

In an air-tight tilting calorimeter with an isothermal casing enthalpies of praseodymium chloride solution in water, dimethyl sulfoxide (DMSO) - water mixtures, contaning 3.86 and 18.53 mol.% DMSO, and propylene carbonate (PC) - water mixtures, containing 1.85 and 3.23 mol.% PC are measured. The enthalpies of praseodymium chloride solution in the given mixtures in case of infinite solution dilution are determined. Solvation enthalpies of praseodymium and neodymium chlorides, as well as alkali earth metal and magnesium chlorides in water and DMSO - water and PC - water mixtures are calculated. Regularities in thermochemical characteristics of solutions of the given salts in DMSO - water and PC - water mixtures are discussed

Electrodeposition of nanocrystalline CdSe thin films from dimethyl sulfoxide solution: Nucleation and growth mechanism, structural and optical studies

International Nuclear Information System (INIS)

Henriquez, R.; Badan, A.; Grez, P.; Munoz, E.; Vera, J.; Dalchiele, E.A.; Marotti, R.E.; Gomez, H.

2011-01-01

Highlights: → Electrodeposition of CdSe nanocrystalline semiconductor thin films. → Polycrystalline wurtzite structure with a slight (1010) preferred orientation. → Absorption edge shifts in the optical properties due to quantum confinement effects. - Abstract: Cadmium selenide (CdSe) nanocrystalline semiconductor thin films have been synthesized by electrodeposition at controlled potential based in the electrochemical reduction process of molecular selenium in dimethyl sulfoxide (DMSO) solution. The nucleation and growth mechanism of this process has been studied. The XRD pattern shows a characteristic polycrystalline hexagonal wurtzite structure with a slight (1 0 1 0) crystallographic preferred orientation. The crystallite size of nanocrystalline CdSe thin films can be simply controlled by the electrodeposition potential. A quantum size effect is deduced from the correlation between the band gap energy and the crystallite size.

Complementary application of neutron and synchrotron radiation for the investigation of dimethyl sulfoxide influence on the dipalmitoylphosphatidylcholine vesicle structure and properties

International Nuclear Information System (INIS)

Kiselev, M.A.

2003-01-01

Dimethyl sulfoxide (DMSO) is widely used in cryobiology, cell biology, radiation biology, veterinary, and therapy of critical situation. DMSO easily penetrates through biological membranes and skin. From 1995 to 2000 contradictory results about DMSO penetration into the lipid membrane were obtained via X-ray diffraction at three different biophysical groups in Great Britain, USA, and Russia. The goal of the present work is to determine more exactly the early obtained results via complementary application of X-ray diffraction and neutron small-angle scattering. It was established that DMSO molecule penetration into the lipid membrane depends on the DMSO concentration in water solution. Membrane defects develop above DMSO mole fraction 0.2. (author)

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV–Oxo Complex

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Neu, Heather M; Quesne, Matthew G; Yang, Tzuhsiung; Prokop-Prigge, Katharine A; Lancaster, Kyle M; Donohoe, James; DeBeer, Serena; de Visser, Sam P; Goldberg, David P

2014-01-01

Addition of an anionic donor to an MnV(O) porphyrinoid complex causes a dramatic increase in 2-electron oxygen-atom-transfer (OAT) chemistry. The 6-coordinate [MnV(O)(TBP8Cz)(CN)]− was generated from addition of Bu4N+CN− to the 5-coordinate MnV(O) precursor. The cyanide-ligated complex was characterized for the first time by Mn K-edge X-ray absorption spectroscopy (XAS) and gives Mn–O=1.53 Å, Mn–CN=2.21 Å. In combination with computational studies these distances were shown to correlate with a singlet ground state. Reaction of the CN− complex with thioethers results in OAT to give the corresponding sulfoxide and a 2e−-reduced MnIII(CN)− complex. Kinetic measurements reveal a dramatic rate enhancement for OAT of approximately 24 000-fold versus the same reaction for the parent 5-coordinate complex. An Eyring analysis gives ΔH≠=14 kcal mol−1, ΔS≠=−10 cal mol−1 K−1. Computational studies fully support the structures, spin states, and relative reactivity of the 5- and 6-coordinate MnV(O) complexes. PMID:25256417

Dimethyl sulfoxide-sodium bicarbonate infusion for palliative care and pain relief in patients with metastatic prostate cancer.

Science.gov (United States)

Hoang, Ba X; Le, Bao T; Tran, Hau D; Hoang, Cuong; Tran, Hung Q; Tran, Dao M; Pham, Cu Q; Pham, Tuan D; Ha, Trung V; Bui, Nga T; Shaw, D Graeme

2011-01-01

Prostate cancer (adenocarcinoma of the prostate) is the most widespread cancer in men. It causes significant suffering and mortality due to metastatic disease. The main therapy for metastatic prostate cancer (MPC) includes androgen manipulation, chemotherapy, and radiotherapy and/or radioisotopes. However, these therapeutic approaches are considered palliative at this stage, and their significant side effects can cause further decline in patients' quality of life and increase non-cancer-related morbidity/mortality. In this study, the authors have used the infusion of dimethyl sulfoxide-sodium bicarbonate (DMSO-SB) to treat 18 patients with MPC. The 90-day follow-up of the patients having undergone the proposed therapeutic regimen showed significant improvement in clinical symptoms, blood and biochemistry tests, and quality of life. There were no major side effects from the treatment. In searching for new and better methods for palliative treatment and pain relief, this study strongly suggested therapy with DMSO-SB infusions could provide a rational alternative to conventional treatment for patients with MPC.

Amelioration of radiation-induced pulmonary fibrosis by a water-soluble bifunctional sulfoxide radiation mitigator (MMS350).

Science.gov (United States)

Kalash, Ronny; Epperly, Michael W; Goff, Julie; Dixon, Tracy; Sprachman, Melissa M; Zhang, Xichen; Shields, Donna; Cao, Shaonan; Franicola, Darcy; Wipf, Peter; Berhane, Hebist; Wang, Hong; Au, Jeremiah; Greenberger, Joel S

2013-11-01

A water-soluble ionizing radiation mitigator would have considerable advantages for the management of acute and chronic effects of ionizing radiation. We report that a novel oxetanyl sulfoxide (MMS350) is effective both as a protector and a mitigator of clonal mouse bone marrow stromal cell lines in vitro, and is an effective in vivo mitigator when administered 24 h after 9.5 Gy (LD100/30) total-body irradiation of C57BL/6NHsd mice, significantly improving survival (P = 0.0097). Furthermore, MMS350 (400 μM) added weekly to drinking water after 20 Gy thoracic irradiation significantly decreased: expression of pulmonary inflammatory and profibrotic gene transcripts and proteins; migration into the lungs of bone marrow origin luciferase+/GFP+ (luc+/GFP+) fibroblast progenitors (in both luc+ marrow chimeric and luc+ stromal cell line injected mouse models) and decreased radiation-induced pulmonary fibrosis (P < 0.0001). This nontoxic and orally administered small molecule may be an effective therapeutic in clinical radiotherapy and as a counter measure against the acute and chronic effects of ionizing radiation.

Excess molar volume and viscosity deviation for binary mixtures of γ-butyrolactone with dimethyl sulfoxide

International Nuclear Information System (INIS)

Krakowiak, Joanna; Śmiechowski, Maciej

2017-01-01

Highlights: • Densities and viscosities of DMSO-GBL binary liquid mixtures were measured. • The volumetric parameters and excess quantities were obtained. • Ab initio calculations were performed for single molecules and dimers in the studied mixture. • The interactions in solutions are weaker than in pure solvents. - Abstract: The densities of binary liquid mixtures of dimethyl sulfoxide and γ-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T = 298.15 K have been measured at atmospheric pressure over the entire range of concentration. From these data the excess molar volumes V E at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at T = 298.15 K have been determined. These data were mathematically represented by the Redlich-Kister polynomial. Partial and apparent molar volumes have been calculated for better understanding of the interactions in the binary systems. The obtained data indicate the lack of specific interactions between unlike molecules, which seem to be a little weaker as compared to the interactions in pure solvents.

Acute dimethyl sulfoxide therapy in brain edema. Part 3: effect of a 3-hour infusion.

Science.gov (United States)

Del Bigio, M; James, H E; Camp, P E; Werner, R; Marshall, L F; Tung, H

1982-01-01

Albino rabbits with experimental brain edema produced by a combined cryogenic left hemisphere lesion and metabolic 6-aminonicotinamide lesion were administered a 3-hour intravenous infusion of dimethyl sulfoxide (DMSO). Simultaneous recording of intracranial pressure (ICP), systolic arterial pressure (SAP), and central venous pressure (CVP) and electroencephalography were performed while the animals were being ventilated mechanically to produce a constant Pa CO2 value (38-42 torr). At the end of the infusion, the brain water and electrolyte contents were measured. There was a persistent and progressive reduction of ICP during the infusion, the nadir occurring at 3 hours (p less than 0.005 from zero time), with no change in SAP or CVP. There was a reduction of brain water in both hemispheres when compared to untreated controls, but this was significant for the right hemisphere only (p less than 0.005). There was a significant reduction of the brain sodium content for both hemispheres, but no significant change occurred in brain potassium content. The DMSO infusion was effective not only in reducing ICP, but also in sustaining this reduction for 3 hours.

Enantioseparation of novel chiral sulfoxides on chlorinated polysaccharide stationary phases in supercritical fluid chromatography.

Science.gov (United States)

West, Caroline; Konjaria, Mari-Luiza; Shashviashvili, Natia; Lemasson, Elise; Bonnet, Pascal; Kakava, Rusudan; Volonterio, Alessandro; Chankvetadze, Bezhan

2017-05-26

Asymmetric sulfoxides is a particular case of chirality that may be found in natural as well as synthetic products. Twenty-four original molecules containing a sulfur atom as a centre of chirality were analyzed in supercritical fluid chromatography on seven polysaccharide-based chiral stationary phases (CSP) with carbon dioxide - methanol mobile phases. While all the tested CSP provided enantioseparation for a large part of the racemates, chlorinated cellulosic phases proved to be both highly retentive and highly enantioselective towards these species. Favourable structural features were determined by careful comparison of the enantioseparation of the probe molecules. Molecular modelling studies indicate that U-shaped (folded) conformations were most favorable to achieve high enantioresolution on these CSP, while linear (extended) conformations were not so clearly discriminated. For a subset of these species adopting different conformations, a broad range of mobile phase compositions, ranging from 20 to 100% methanol in carbon dioxide, were investigated. While retention decreased continuously in this range, enantioseparation varied in a non-monotonous fashion. Abrupt changes in the tendency curves of retention and selectivity were observed when methanol proportion reaches about 60%, suggesting that a change in the conformation of the analytes and/or chiral selector is occurring at this point. Copyright © 2017 Elsevier B.V. All rights reserved.

1,3-Dioxolane, tetrahydrofuran, acetylacetone and dimethyl sulfoxide as solvents for non-aqueous vanadium acetylacetonate redox-flow-batteries

International Nuclear Information System (INIS)

Herr, T.; Noack, J.; Fischer, P.; Tübke, J.

2013-01-01

Highlights: • Four solvents were employed in a non-aqueous redox flow battery system. • Coulombic efficiencies of 85.9–98.5% and energy efficiencies of 26.6–43.6% were achieved. • Discharge power density was enhanced up to 0.080 mW cm −2 . • Solubility of V(acac) 3 was increased to 0.8 M compared to the acetonitrile system. -- Abstract: A non-aqueous vanadium acetylacetonate redox flow battery with different organic solvents and tetrabutylammonium hexafluorophosphate has been investigated. Cyclic voltammograms show three redox couples in 1,3-dioxolane, tetrahydrofuran, acetylacetone and two redox couples in dimethyl sulfoxide. Cell potentials between 2.21 and 2.61 V are measured, depending on the solvent used. Impedance Spectroscopy has been used to determine rate limiting step in the non-aqueous redox flow battery. Experiments in a charge–discharge test cell yielded coulombic and energy efficiencies of 85.9–98.5% and 26.6–43.6%, respectively

Lithium isotope effects in cation exchange chromatography of lithium lactate in water-dimethyl sulfoxide and water-acetone mixed solvent media

International Nuclear Information System (INIS)

Oi, Takao; Kondoh, Akiko; Ohno, Etsuko; Hosoe, Morikazu

1993-01-01

Lithium isotope separation by ion exchange displacement chromatography of lithium lactate in water-dimethyl sulfoxide (DMSO) and water-acetone mixed solvent media at 25 C was explored. In both the water-DMSO and water-acetone system, the single stage isotope separation factor (S) was a convex function of the mixing ratio of the solvents in the external solution phase; S had its maximum value of 1.00254 at water: DMSO=25:75 v/v and 1.00182 at water: acetone=75:25 v/v. Strong correlations of S with solvent partitions between the solution and the exchanger phases were found in both systems, which was qualitatively explainable by considering the lithium isotope distributions between the two phases based on the fundamental lithium isotope effects and the relative affinities of water, DMSO and acetone towards the lithium ion. (orig.)

Marmoset induced pluripotent stem cells: Robust neural differentiation following pretreatment with dimethyl sulfoxide

Directory of Open Access Journals (Sweden)

Zhifang Qiu

2015-07-01

Full Text Available The marmoset is an important nonhuman primate model for regenerative medicine. For experimental autologous cell therapy based on induced pluripotent (iPS cells in the marmoset, cells must be able to undergo robust and reliable directed differentiation that will not require customization for each specific iPS cell clone. When marmoset iPS cells were aggregated in a hanging drop format for 3 days, followed by exposure to dual SMAD inhibitors and retinoic acid in monolayer culture for 3 days, we found substantial variability in the response of different iPS cell clones. However, when clones were pretreated with 0.05–2% dimethyl sulfoxide (DMSO for 24 hours, all clones showed a very similar maximal response to the directed differentiation scheme. Peak responses were observed at 0.5% DMSO in two clones and at 1% DMSO in a third clone. When patterns of gene expression were examined by microarray analysis, hierarchical clustering showed very similar responses in all 3 clones when they were pretreated with optimal DMSO concentrations. The change in phenotype following exposure to DMSO and the 6 day hanging drop/monolayer treatment was confirmed by immunocytochemistry. Analysis of DNA content in DMSO-exposed cells indicated that it is unlikely that DMSO acts by causing cells to exit from the cell cycle. This approach should be generally valuable in the directed neural differentiation of pluripotent cells for experimental cell therapy.

Nucleophilic Substitution Reactions of N-Methyl α-Bromoacetanilides with Benzylamines in Dimethyl Sulfoxide

International Nuclear Information System (INIS)

Adhikary, Keshab Kumar; Lee, Hai Whang

2011-01-01

Kinetic studies of the reactions of N-methyl-Y-α-bromoacetanilides with substituted X-benzylamines have been carried out in dimethyl sulfoxide at 25.0 .deg. C. The Hammett plots for substituent X variations in the nucleophiles (log k N vs σ X ) are slightly biphasic concave upwards/downwards, while the Bronsted plots (log k N vs pK a ) are biphasic concave downwards with breakpoints at X = H. The Hammett plots for substituent Y variations in the substrates (log k N vs σ Y ) are biphasic concave upwards/downwards with breakpoints at Y = H. The cross-interaction constant ρ XY values are all negative: ρ XY = -0.32 for X = Y = electron-donating: -0.22 for X = electron-withdrawing and Y = electron-donating: -1.80 for X = electron-donating and Y = electronwithdrawing: -1.43 for X = Y = electron-withdrawing substituents. Deuterated kinetic isotope effects are primary normal (k H /k D > 1) for Y = electron-donating, while secondary inverse (k H /k D < 1) for Y = electronwithdrawing substituent. The proposed mechanisms of the benzylaminolyses of N-methyl-Y-α-bromoacetanilides are a concerted mechanism with a five membered ring TS involving hydrogen bonding between hydrogen (deuterium) atom in N-H(D) and oxygen atom in C = O for Y = electron-donating, while a concerted mechanism with an enolate-like TS in which the nucleophile attacks the α-carbon for Y = electronwithdrawing substituents

Acid-base equilibrium dynamics in methanol and dimethyl sulfoxide probed by two-dimensional infrared spectroscopy.

Science.gov (United States)

Lee, Chiho; Son, Hyewon; Park, Sungnam

2015-07-21

Two-dimensional infrared (2DIR) spectroscopy, which has been proven to be an excellent experimental method for studying thermally-driven chemical processes, was successfully used to investigate the acid dissociation equilibrium of HN3 in methanol (CH3OH) and dimethyl sulfoxide (DMSO) for the first time. Our 2DIR experimental results indicate that the acid-base equilibrium occurs on picosecond timescales in CH3OH but that it occurs on much longer timescales in DMSO. Our results imply that the different timescales of the acid-base equilibrium originate from different proton transfer mechanisms between the acidic (HN3) and basic (N3(-)) species in CH3OH and DMSO. In CH3OH, the acid-base equilibrium is assisted by the surrounding CH3OH molecules which can directly donate H(+) to N3(-) and accept H(+) from HN3 and the proton migrates through the hydrogen-bonded chain of CH3OH. On the other hand, the acid-base equilibrium in DMSO occurs through the mutual diffusion of HN3 and N3(-) or direct proton transfer. Our 2DIR experimental results corroborate different proton transfer mechanisms in the acid-base equilibrium in protic (CH3OH) and aprotic (DMSO) solvents.

Reactions of Fischer carbene complexes with Electron-deficient olefins: Scope and limitations of this route to donor-acceptor-substituted cyclopropanes

Energy Technology Data Exchange (ETDEWEB)

Wienand, A.; Reissig, H.U. (Inst. fuer Organische Chemie der Technischen Hochschule Darmstadt (West Germany))

1990-12-01

The Fischer carbene complex ((CO){sub 5}Cr{double bond}C(OMe)Ph) (1) is able to transfer its carbene ligand to a variety of electron-deficient olefins and provides donor-acceptor-substituted cyclopropanes in good yields. Apt activating groups with respect to the alkene are ester, amide, nitrile, sulfone, and dialkyl phosphonate functions. Methyl vinyl ketone (19) affords products in low yield that may arise from an intermediate cyclopropane derivative. Phenyl vinyl sulfoxide (24) mainly acts as an oxidizing agent, transforming 1 into methyl benzoate. for olefin 24 and {alpha}-(N-methylanilino)acrylonitrile the authors found products that should be formed on an olefin metathesis pathway. The methyl-substituted carbene complex 48 also affords the expected donor-acceptor-substituted cyclopropanes; however, acyclic isomers are formed in higher amounts. The molybdenum and tungsten complexes 55 and 56, respectively, also furnish cyclopropane derivatives, but the yields are lower than with the chromium compound 1. Disubstituted olefins and complex 1 still give the cyclopropanes in moderate yields, while all trisubstituted and most of the difunctionalized alkenes do not react with this Fischer carbene complex. The cyclopropanes synthesized can be deprotonated and alkylated or transformed into ring-opened products. These model reactions demonstrate the synthetic potentials of donor-acceptor-substituted cyclopropanes prepared via Fischer carbene complexes.

Radioprotective effects of dimethyl sulfoxide in golden hamster embryo cells exposed to γ-rays at 4 and 77 K as studied by electron spin resonance and biological measurements

International Nuclear Information System (INIS)

Miyazaki, T.; Suzuki, K.; Watanabe, M.

1992-01-01

Many studies have reported the biological effects of gamma-irradiation on cells. It has been generally accepted that OH radicals produced by radiolysis of water in cells play an important role in the biological effect. OH radicals, however, were not observed directly in these studies. Thus there is some ambiguity in the determination of the reactive species responsible for the biological effect. The effect of dimethyl sulfoxide on gamma-irradiated golden hamster embryo cells has been studied here at 4 and 77 K by direct observation of free radicals and by biological measurements. (author). 2 refs., 4 figs

Asymmetric allylation of α-ketoester-derived N-benzoylhydrazones promoted by chiral sulfoxides/N-oxides Lewis bases: highly enantioselective synthesis of quaternary α-substituted α-allyl-α-amino acids.

Science.gov (United States)

Reyes-Rangel, Gloria; Bandala, Yamir; García-Flores, Fred; Juaristi, Eusebio

2013-09-01

Chiral sulfoxides/N-oxides (R)-1 and (R,R)-2 are effective chiral promoters in the enantioselective allylation of α-keto ester N-benzoylhydrazone derivatives 3a-g to generate the corresponding N-benzoylhydrazine derivatives 4a-g, with enantiomeric excesses as high as 98%. Representative hydrazine derivatives 4a-b were subsequently treated with SmI2, and the resulting amino esters 5a-b with LiOH to obtain quaternary α-substituted α-allyl α-amino acids 6a-b, whose absolute configuration was assigned as (S), with fundament on chemical correlation and electronic circular dichroism (ECD) data. © 2013 Wiley Periodicals, Inc.

Improved in situ saccharification of cellulose pretreated by dimethyl sulfoxide/ionic liquid using cellulase from a newly isolated Paenibacillus sp. LLZ1.

Science.gov (United States)

Hu, Dongxue; Ju, Xin; Li, Liangzhi; Hu, Cuiying; Yan, Lishi; Wu, Tianyun; Fu, Jiaolong; Qin, Ming

2016-02-01

A cellulase producing strain was newly isolated from soil samples and identified as Paenibacillus sp. LLZ1. A novel aqueous-dimethyl sulfoxide (DMSO)/1-ethyl-3-methylimidazolium diethyl phosphate ([Emin]DEP)-cellulase system was designed and optimized. In the pretreatment, DMSO was found to be a low-cost substitute of up to 70% ionic liquid to enhance the cellulose dissolution. In the enzymatic saccharification, the optimum pH and temperature of the Paenibacillus sp. LLZ1 cellulase were identified as 6.0 and 40°C, respectively. Under the optimized reaction condition, the conversion of microcrystalline cellulose and bagasse cellulose increased by 39.3% and 37.6%, compared with unpretreated cellulose. Compared to current methods of saccharification, this new approach has several advantages including lower operating temperature, milder pH, and less usage of ionic liquid, indicating a marked progress in environmental friendly hydrolysis of biomass-based materials. Copyright © 2015 Elsevier Ltd. All rights reserved.

Crystal structure of 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10-trien-17-one: a potential chemotherapeutic drug

Directory of Open Access Journals (Sweden)

José A. Carmona-Negrón

2016-06-01

Full Text Available A new ferrocene complex, 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10-trien-17-one dimethyl sulfoxide monosolvate, [Fe(C5H5(C24H27O2]·C2H6OS, has been synthesized and structurally characterized by single-crystal X-ray diffraction techniques. The molecule crystallizes in the space group P21 with one molecule of dimethyl sulfoxide. A hydrogen bond links the phenol group and the dimethyl sulfoxide O atom, with an O...O distance of 2.655 (5 Å. The ferrocene group is positioned in the β face of the estrone moiety, with an O—C—C—C torsion angle of 44.1 (5°, and the carbonyl bond length of the hormone moiety is 1.216 (5 Å, typical of a C=O double bond. The average Fe—C bond length of the substituted Cp ring [Fe—C(Cp*] is similar to that of the unsubstituted one [Fe—C(Cp], i.e. 2.048 (3 versus 2.040 (12 Å. The structure of the complex is compared with those of estrone and ethoxymethylestrone.

Synthesis and structure of bismuth complexes [Ph3(n-PrP]2+[Bi2I8·2Me2S=O]2-, [Ph3(iso-Bu)P]2+[Bi2I8·2Me2S=O]2-, [Ph3(n-Bu)P]2+[Bi2I8·2Me2S=O]2- and [Ph3(n-Am)P]2+[Bi2I8·2Me2S=O]2-

International Nuclear Information System (INIS)

Sharutin, V.V.; Egorova, I.V.; Klepikov, N.N.; Boyarkina, E.A.; Sharutina, O.K.

2009-01-01

Reaction of equimolar amounts of bismuth(III) iodide with triphenylalkyl phosphonium iodide in dimethyl sulfoxide is studied, and effect of the structure of alkyl group of phosphonium salt on the structure of formed complexes is established. IR spectra were fixed, X-ray structural analysis was conducted. Basic crystallographic data and results of refinement structures, coordinates and temperature factors of atoms, basic bond lengths and bond angles are presented

Palliative treatment for advanced biliary adenocarcinomas with combination dimethyl sulfoxide-sodium bicarbonate infusion and S-adenosyl-L-methionine.

Science.gov (United States)

Hoang, Ba X; Tran, Hung Q; Vu, Ut V; Pham, Quynh T; Shaw, D Graeme

2014-09-01

Adenocarcinoma of the gallbladder and cholangiocarcinoma account for 4% and 3%, respectively, of all gastrointestinal cancers. Advanced biliary tract carcinoma has a very poor prognosis with all current available modalities of treatment. In this pilot open-label study, the authors investigated the efficacy and safety of a combination of dimethyl sulfoxide-sodium bicarbonate (DMSO-SB) infusion and S-adenosyl-L-methionine (ademetionine) oral supplementation as palliative pharmacotherapy in nine patients with advanced nonresectable biliary tract carcinomas (ABTCs). Patients with evidence of biliary obstruction with a total serum bilirubin ≤300 μmol/L were allowed to join the study. The results of this 6-month study and follow-up of all nine patients with ABTC indicated that the investigated combination treatment improved pain control, blood biochemical parameters, and quality of life for the patients. Moreover, this method of treatment has led to a 6-month progression-free survival for all investigated patients. The treatment was well tolerated for all patients without major adverse reactions. Given that ABTC is a highly fatal malignancy with poor response to chemotherapy and targeted drugs, the authors consider that the combination of DMSO-SB and ademetionine deserves further research and application as a palliative care and survival-enhancing treatment for this group of patients.

An alternative mechanism for radioprotection by dimethyl sulfoxide. Possible facilitation of DNA double-strand break repair

International Nuclear Information System (INIS)

Kashino, Genro; Liu, Yong; Suzuki, Minoru; Masunaga, Shin-ichiro; Kinashi, Yuko; Ono, Koji; Tano, Keizo; Watanabe, Masami

2010-01-01

The radioprotective effects of dimethyl sulfoxide (DMSO) have been known for many years, and the suppression of hydroxyl (OH) radicals induced by ionizing radiation has been thought to be the main cause of this effect. However, the DMSO concentration used was very high, and might be toxic, in earlier studies. In the present study, we administered a lower, non-toxic concentration (0.5%, id est (i.e.), 64 mM) of DMSO before irradiation and examined its radioprotective effects. Colony formation assay and micronucleus assay showed significant radioprotective effects in Chinese hamster ovary (CHO), but not in xrs5, which is defective in the repair function of DNA double-strand breaks. The levels of phosphorylated H2AX and the formation of 53BP1 foci 15 minutes after irradiation, which might reflect initial DNA double-strand breaks, in DMSO-treated CHO cells were similar to those in non-treated cells, suggesting that the radioprotective effects were not attributable to the suppression of general indirect action in the lower concentration of DMSO. On the other hand, 2 hours after irradiation, the average number of 53BP1 foci, which might reflect residual DNA double-strand breaks, was significantly decreased in DMSO-treated CHO cells compared to non-treated cells. The results indicated that low concentration of DMSO exerts radioprotective effects through the facilitation of DNA double-strand break repair rather than through the suppression of indirect action. (author)

An alternative mechanism for radioprotection by dimethyl sulfoxide; possible facilitation of DNA double-strand break repair.

Science.gov (United States)

Kashino, Genro; Liu, Yong; Suzuki, Minoru; Masunaga, Shin-ichiro; Kinashi, Yuko; Ono, Koji; Tano, Keizo; Watanabe, Masami

2010-01-01

The radioprotective effects of dimethyl sulfoxide (DMSO) have been known for many years, and the suppression of hydroxyl (OH) radicals induced by ionizing radiation has been thought to be the main cause of this effect. However, the DMSO concentration used was very high, and might be toxic, in earlier studies. In the present study, we administered a lower, non-toxic concentration (0.5%, i.e., 64 mM) of DMSO before irradiation and examined its radioprotective effects. Colony formation assay and micronucleus assay showed significant radioprotective effects in CHO, but not in xrs5, which is defective in the repair function of DNA double-strand breaks. The levels of phosphorylated H2AX and the formation of 53BP1 foci 15 minutes after irradiation, which might reflect initial DNA double-strand breaks, in DMSO-treated CHO cells were similar to those in non-treated cells, suggesting that the radioprotective effects were not attributable to the suppression of general indirect action in the lower concentration of DMSO. On the other hand, 2 hours after irradiation, the average number of 53BP1 foci, which might reflect residual DNA double-strand breaks, was significantly decreased in DMSO-treated CHO cells compared to non-treated cells. The results indicated that low concentration of DMSO exerts radioprotective effects through the facilitation of DNA double-strand break repair rather than through the suppression of indirect action.

Optical Degradation of Colloidal Eu-Complex Embedded in Silica Glass Film Using Reprecipitation and Sol-Gel Methods.

Science.gov (United States)

Fukuda, Takeshi; Kurabayashi, Tomokazu; Yamaki, Tatsuki

2016-04-01

A reprecipitation method has been investigated for fabricating colloidal nanoparticles using Eu-complex. Herein, we investigated optical degradation characteristics of (1,10-phenanthroline)tris [4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]europium(III) colloidal nanoparticles, which were embedded into a silica glass film fabricated by a conventional sol-gel process. At first, we tried several types of good solvents for the reprecipitation method, and dimethyl sulfoxide (DMSO) is found to be a suitable solvent for realizing the small diameter and the high long-term stability against the ultraviolet irradiation even though the boing point of DMSO is higher than that of water used as a poor solvent. By optimizing the good solvent and the concentration of Eu-complex, the relative photoluminescence intensity of 0.96 was achieved even though the ultraviolet light was continuously irradiated for 90 min. In addition, the average diameter of 106 nm was achieved when DMSO was used as a good solvent, resulting in the high transmittance at a visible wavelength region. Therefore, we can achieve the transparent emissive thin film with a center wavelength of 612 nm, and the optical degradation was drastically reduced by forming nanoparticles.

Evaluation of dimethyl sulfoxide and dexamethasone on pulmonary contusion in experimental blunt thoracic trauma.

Science.gov (United States)

Boybeyi, Ozlem; Bakar, Bulent; Aslan, Mustafa Kemal; Atasoy, Pinar; Kisa, Ucler; Soyer, Tutku

2014-12-01

A thoracic trauma model was designed to evaluate the effect of dimethyl sulfoxide (DMSO) and dexamethasone (DX) on histopathologic and oxidative changes in lung parenchyma seen after pulmonary contusion. Twenty-four Wistar albino rats were included in the study. They were allocated into control (CG, n=6), sham (SG, n=6), DX (DXG, n=6), and DMSO (DMG, n=6) groups. Only a lung biopsy was performed in CG. In the experimental groups, blunt thoracic trauma was induced by dropping a cylindrical metal weight (0.5 kg) through a stainless steel tube onto the right hemithorax from a height of 0.4 m (E=1.96 J). In the SG, 1 mL of physiologic saline was injected intraperitoneally, in the DXG 10 mg/kg of DX was injected intraperitoneally, and in the DMG 1.2 g/mL of DMSO was injected intraperitoneally 15 minutes after trauma. After 6 hours, lung biopsy was performed for histopathologic and oxidative injury markers. Histopathologically, congestion, hemorrhage, neutrophil infiltration, endothelial-nitric oxide synthase (E-NoS), and total pathologic score were significantly higher in SG, DXG, and DMG when compared with CG (p<0.05). Neutrophil infiltration, total pathologic score, and E-NoS were significantly decreased in DMG when compared with SG and DXG (p<0.05). Biochemically, superoxide dismutase (SOD) level was significantly higher in SG, DXG, and DMG than in CG. SOD level was significantly lower in DXG and DMG than in SG (p<0.05). DMSO prevents further injury by decreasing neutrophil infiltration and endothelial injury in lung contusions. DX may have a role in the progression of inflammation but not in preventing the pathologic disruption of pulmonary parenchyma. Georg Thieme Verlag KG Stuttgart · New York.

Fullerenol C{sub 60}(OH){sub 24} nanoparticles decrease relaxing effects of dimethyl sulfoxide on rat uterus spontaneous contraction

Energy Technology Data Exchange (ETDEWEB)

Slavic, Marija, E-mail: marija17@ibiss.bg.ac.rs [University of Belgrade, Department for Physiology, Institute for Biological Research ' Sinisa Stankovic' (IBISS) (Serbia); Djordjevic, Aleksandar [University of Novi Sad, Department of Chemistry, Biochemistry and the Environment, Faculty of Sciences (Serbia); Radojicic, Ratko [University of Belgrade, Faculty of Biology (Serbia); Milovanovic, Slobodan [University of East Sarajevo, Department of Pharmacology, Faculty of Medicine at Foca (Bosnia and Herzegowina); Orescanin-Dusic, Zorana [University of Belgrade, Department for Physiology, Institute for Biological Research ' Sinisa Stankovic' (IBISS) (Serbia); Rakocevic, Zlatko [University of Belgrade, Institute for Nuclear Sciences ' Vinca' (Serbia); Spasic, Mihajlo B.; Blagojevic, Dusko [University of Belgrade, Department for Physiology, Institute for Biological Research ' Sinisa Stankovic' (IBISS) (Serbia)

2013-05-15

Dimethyl sulfoxide (DMSO) is a widely used solvent and cryoprotectant that can cause impaired blood flow, reduction in intracranial pressure, tissue edema, inflammatory reactions, inhibition of vascular smooth muscle cell migration and proliferation, processes which can lead to atherosclerosis of the coronary, peripheral and cerebral circulation. Although the adverse effects are rare when DMSO is administered in clinically established concentrations, there is no safe antagonist for an overdose. In this work, we treated isolated spontaneous and calcium-induced contractile active rat uteri (Wistar, virgo intacta), with DMSO and fullerenol C{sub 60}(OH){sub 24} nanoparticle (FNP) in DMSO. FNP is a water-soluble derivative of fullerene C{sub 60}. Its size is a 1.1 nm in diameter and is a very promising candidate for a drug carrier in nanomedicine. FNP also displays free radical scavenging activity. DMSO decreased both spontaneous and calcium-induced contractions. In contrast, FNP only decreased spontaneous contraction. FNP decreased copper-zinc superoxide dismutase activity and prevented the DMSO-induced increase in glutathione reductase activity. Atomic force microscopy detected that FNP aggregated with calcium ions. Our results indicate that FNP has properties that make it a good candidate to be a modulator of DMSO activity which could minimize side effects of the latter.

Crystal structures of two erbium(III complexes with 4-aminobenzoic acid and 4-chloro-3-nitrobenzoic acid

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Graham Smith

2015-12-01

Full Text Available The crystal structures of two erbium(III complexes with 4-aminobenzoic acid (4-ABAH, namely bis(μ2-4-aminobenzoato-κ2O:O′bis[bis(4-aminobenzoato-κ2O,O′diaquaerbium(III] dihydrate, [Er2(C7H6NO26(H2O4]·2H2O, (I, and 4-chloro-3-nitrobenzoic acid (CLNBAH, namely poly[hexakis(μ2-4-chloro-3-nitrobenzoato-κ2O:O′bis(dimethyl sulfoxide-κOdierbium(III], [Er2(C7H3ClNO46(C2H6OS2]n, (II, have been determined. In the structure of solvatomorphic compound (I, the symmetry-related irregular ErO8 coordination polyhedra in the discrete centrosymmetric dinuclear complex comprise two monodentate water molecules and six carboxylate O-atom donors, four from two bidentate carboxylate O,O′-chelate groups and two from the bis-monodentate O:O′-bridging group of the third 4-ABA anion. The Er—O bond-length range is 2.232 (3–2.478 (3 Å and the Er...Er separation in the dinuclear complex unit is 4.7527 (4 Å. One of the coordinating water molecules is involved in an intra-unit O—H...O hydrogen-bonding association with an inversion-related carboxylate O-atom acceptor. In contrast, the anhydrous compound (II is polymeric, based on centrosymmetric dinuclear repeat units comprising ErO7 coordination polyhedra which involve four O-atom donors from two bidentate O:O′-bridging carboxylate groups, one O-atom donor from the monodentate dimethyl sulfoxide ligand and two O-atom donors from the third bridging CLNBA anion. The latter provides the inter-unit link in the one-dimensional coordination polymer extending along [100]. The Er—O bond-length range in (II is 2.239 (6–2.348 (6 Å and the Er...Er separation within the dinuclear unit is 4.4620 (6 Å. In the crystal of (I, extensive inter-dimer O—H...O and N—H...O hydrogen-bonding interactions involving both the coordinating water molecules and the solvent water molecules, as well as the amine groups of the 4-ABA anions, give an overall three-dimensional network structure. Within

Spermatozoa from the maned wolf (Chrysocyon brachyurus) display typical canid hyper-sensitivity to osmotic and freezing-induced injury, but respond favorably to dimethyl sulfoxide.

Science.gov (United States)

Johnson, Amy E M; Freeman, Elizabeth W; Wildt, David E; Songsasen, Nucharin

2014-06-01

We assessed the influences of medium osmolality, cryoprotectant and cooling and warming rate on maned wolf (Chrysocyon brachyurus) spermatozoa. Ejaculates were exposed to Ham's F10 medium (isotonic control) or to this medium plus NaCl (350-1000mOsm), sucrose (369 and 479mOsm), 1M glycerol (1086mOsm) or dimethyl sulfoxide (Me2SO, 1151mOsm) for 10 min. Each sample then was diluted back into Ham's medium and assessed for sperm motility and plasma membrane integrity. Although glycerol and Me2SO had no influence (P>0.05), NaCl and sucrose solutions affected sperm motility (P0.05) to the control. As osmolality of the NaCl solution increased, motility decreased to maned wolf spermatozoa are similar to domestic dog sperm in their sensitivity to osmotic-induced motility damage, the plasma membranes tolerate dehydration, and the cells respond favorably to Me2SO as a cryoprotectant. Published by Elsevier Inc.

Crystal structure and physical properties of a ruthenium(II) bipyridine dimethylsulfoxide complex

International Nuclear Information System (INIS)

Wang, Y.; Eichhorn, D.M.; Goswami, N.; Zhao, Q.; Rillema, D.P.

1999-01-01

The complex [Ru(bpy) 2 (DMSO)C1]PF 6 , where bpy is 2,2prime-bipyridine and DMSO is dimethyl-sulfoxide, crystallizes in the triclinic space group Pbar 1 (number s ign2) with a = 8.873 (2), b = 12.805 (4), c = 12.864 (4) angstrom, α = 97.76(3), β = 106.45(2), γ = 107.88(2); Z = 2, and d calc = 1.75 mg/m 3 . The coordination geometry is that of a distorted octahedron with a cis-RuN 4 SCl arrangement of coordinating atoms. The four Ru-N distances to the bpy ligands are 2.082(5), 2.092(4), 2.044(4), and 2.078(5) angstrom. The Ru-Cl distance is 2.421(2) angstrom and the Ru-S distance to DMSO is 2.260(1) angstrom. The Ru-N bond distance trans to Cl is the shortest; the Ru-N bond distance trans to S is the longest. The complex is oxidized and reduced reversibly at 1.13 and minus1.37 V vs. SSCE, respectively. It displays electronic absorptions at 515, 480 (1.5 x 10 4 ), 342 (1.5 X 10 4 ), 292 (1.2 X 10 5 ), and 240 nm (6.2 x 10 4 ) and has a broad emission band centered at 607 nm at 77 K in a 4:1 ethanol/methanol glass. The emission lifetime at room temperature is less than the pulse width of the laser, τ < 20 ns

Green synthesis of tri/tetrasubstituted 1H-imidazoles and 2,3 ...

Indian Academy of Sciences (India)

carried out in polar solvents such as ethanol, methanol, acetic acid, dimethylformamide (DMF), and dimethyl- sulfoxide (DMSO), leading to complex ... few drops of water (0.3 mL), 0.210 g (1 mmole) ben- zil was added at room temperature.

Polynuclear Iron-Oxo/Hydroxy Complexes of Ketoacidoximate Ligands: Synthesis, Structures and Conversion to Ferric Oxide

KAUST Repository

Davaasuren, Bambar

2017-06-13

The polynuclear iron-oxo/hydroxy complexes containing ketoacidoximate ligands described in this report are [Fe3(μ3-O){O2C-C(C6H5)=NOCH3}6(py)3] (1) (py=pyridine), [Fe2(μ3-O){O2C-C(CH2-C6H5)=NO}2(H2O)(CH3OH)]2 (2) and [{Fe(μ2-OH)(O2C-C(CH3)=NO)}(dmso)]6 (3) (dmso=dimethyl sulfoxide). 1–3 are isolated from the reaction of Fe(NO3)3⋅9H2O and in situ generated anions of ketoacidoximate ligand [(HO2C-C(R1)=NOR2), where R1=CH3, C6H5 and CH2-C6H5; R2=H or CH3] in H2O, followed by crystallization in donor solvents. 1–3 undergo thermal decomposition above 200 °C and form crystalline α-Fe2O3 at 600 °C.

The role of dimethyl sulfoxide (DMSO) in ex-vivo examination of human skin burn injury treatment

Science.gov (United States)

Pielesz, Anna; Gawłowski, Andrzej; Biniaś, Dorota; Bobiński, Rafał; Kawecki, Marek; Klama-Baryła, Agnieszka; Kitala, Diana; Łabuś, Wojciech; Glik, Justyna; Paluch, Jadwiga

2018-05-01

Dimethyl sulfoxide (DMSO) is one of the most versatile solvents in biological science, therefore it is frequently used as a solvent in biological studies and as a vehicle for drug therapy. DMSO readily penetrates, diffuses through biological membranes and ipso facto increases fluidity of liposomal membranes modelling stratum corneum. Thermal injury is associated with the appearance of lipid peroxidation products in the burned skin. The influence of DMSO on protein structure and stability is concentration and temperature dependant. The aim of this study was to assess the impact of DMSO on human burn wounds and examine the interactions between DMSO and skin surface. The real problem in burn treatment is hypoalbuminemia. At the level of the laboratory studies there was an attempt at answering the question of whether the DMSO will modify the standard serum solution. In the case of the incubation of skin fragments in 1%-100% DMSO, the following findings were reported: modification of the serum, appearance of low molecular weight oligomer bands, disappearance of albumin bands or reconstruction of native serum bands during incubation in antioxidant solutions. The result of the modification is also the exposure of FTIR 1603 and 1046 cm-1 bands observed in frozen serum solutions. In the case of modification of the burned skin by DMSO solutions or antioxidants - frequency shifts, an increase in the intensity of amide I band as well as the appearance of the 1601 cm-1 band can be specific biomarkers of the tissue regeneration process. In this study the areas 1780-1580 cm-1 and 1418-1250 cm-1 on the Raman spectra are particularly rich in spectral information.

Octakis(dimethyl sulfoxide-κOcerium(III μ6-oxido-dodeca-μ2-oxido-hexaoxidohexamolybdate(VI dimethyl sulfoxide tetrasolvate

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Arbia Ben Khélifa

2012-07-01

Full Text Available The title complex, [Ce(C2H6OS8]2[Mo6O19]3·4C2H6OS, was obtained as a byproduct of the reaction of [(C4H94N]2[Mo6O19] with Ce(NO33·6H2O and phthalic acid in dimethylsulfoxide solution. The asymmetric unit consists of a complex [Ce(C2H6OS8]3+ cation, one and a half of the Lindqvist-type [Mo6O19]2− polyanions and two dimethylsulfoxide solvent molecules; the half polyanion lies on an inversion center. The Ce3+ ion is coordinated by eight dimethylsulfoxide ligands through the O atoms in the form of a distorted square antiprism. The Ce—O bond lengths range from 2.429 (6 to 2.550 (5 Å. The cohesion of the structure is ensured by S...O [3.115 (6, 3.242 (10 and 3.12 (3 Å], O...O [3.037 (10 Å] and C—H...O interactions between cations and anions. The S and C atoms of a dmso ligand are disordered over three sites in a 0.45:0.30:0.25 ratio. The dimethylsulfoxide solvent molecules are highly disordered and could not be modelled successfully; their contribution was therefore removed from the refinement using the SQUEEZE routine in PLATON [Spek (2009. Acta Cryst. D65, 148–155]. Potential solvent-accessible voids of 500.0 Å3 occur in the crystal structure.

Effects of Dimethyl Sulfoxide in Cholesterol-Containing Lipid Membranes: A Comparative Study of Experiments In Silico and with Cells

Science.gov (United States)

de Ménorval, Marie-Amélie; Mir, Lluis M.; Fernández, M. Laura; Reigada, Ramon

2012-01-01

Dimethyl sulfoxide (DMSO) has been known to enhance cell membrane permeability of drugs or DNA. Molecular dynamics (MD) simulations with single-component lipid bilayers predicted the existence of three regimes of action of DMSO: membrane loosening, pore formation and bilayer collapse. We show here that these modes of action are also reproduced in the presence of cholesterol in the bilayer, and we provide a description at the atomic detail of the DMSO-mediated process of pore formation in cholesterol-containing lipid membranes. We also successfully explore the applicability of DMSO to promote plasma membrane permeability to water, calcium ions (Ca2+) and Yo-Pro-1 iodide (Yo-Pro-1) in living cell membranes. The experimental results on cells in culture can be easily explained according to the three expected regimes: in the presence of low doses of DMSO, the membrane of the cells exhibits undulations but no permeability increase can be detected, while at intermediate DMSO concentrations cells are permeabilized to water and calcium but not to larger molecules as Yo-Pro-1. These two behaviors can be associated to the MD-predicted consequences of the effects of the DMSO at low and intermediate DMSO concentrations. At larger DMSO concentrations, permeabilization is larger, as even Yo-Pro-1 can enter the cells as predicted by the DMSO-induced membrane-destructuring effects described in the MD simulations. PMID:22848583

A potentiometric study of (acid+base) equilibria in substituted 4-nitropyridine N-oxide systems in methanol and dimethyl sulfoxide

International Nuclear Information System (INIS)

Gurzynski, Lukasz; Puszko, Aniela; Makowski, Mariusz; Chmurzynski, Lech

2007-01-01

The acid dissociation constants for cationic acids conjugated with 4-nitropyridine N-oxides have been determined using potentiometric titration method. The measurements in the systems of thirteen 4-nitropyridine N-oxide derivatives were carried out in the polar amphiprotic methanol (MeOH) and in the aprotic protophilic dimethyl sulfoxide (DMSO). Likewise as in the polar aprotic protophobic solvents (acetonitrile, acetone) it was found that in MeOH for all N-oxides studied the pK a values were readily determinable, whereas in DMSO the pK a values were hardly determinable or indeterminable by using the potentiometric method. In addition, just like in our previous investigations it was revealed that the sequence of the pK a values of the cationic acids in methanol is the same as in the water and the values are lower than those determined in acetonitrile and acetone. Also, it was found that the phenomenon of cationic homoconjugation equilibria was not present in the systems involving 4-nitropyridine N-oxide derivatives in both solvents used. Furthermore, protonation energies, ΔE prot , and Gibbs free enthalpies, ΔG prot , in vacuo have been compared with acid dissociation constants (expressed as pK a MeOH values) of the protonated N-oxides determined by potentiometric titration in methanol to establish a correlation between these magnitudes

A potentiometric study of (acid+base) equilibria in substituted 4-nitropyridine N-oxide systems in methanol and dimethyl sulfoxide

Energy Technology Data Exchange (ETDEWEB)

Gurzynski, Lukasz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Puszko, Aniela [Department of Organic Chemistry, School of Economics, Wroclaw (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chemik.chem.univ.gda.pl

2007-02-15

The acid dissociation constants for cationic acids conjugated with 4-nitropyridine N-oxides have been determined using potentiometric titration method. The measurements in the systems of thirteen 4-nitropyridine N-oxide derivatives were carried out in the polar amphiprotic methanol (MeOH) and in the aprotic protophilic dimethyl sulfoxide (DMSO). Likewise as in the polar aprotic protophobic solvents (acetonitrile, acetone) it was found that in MeOH for all N-oxides studied the pK{sub a} values were readily determinable, whereas in DMSO the pK{sub a} values were hardly determinable or indeterminable by using the potentiometric method. In addition, just like in our previous investigations it was revealed that the sequence of the pK{sub a} values of the cationic acids in methanol is the same as in the water and the values are lower than those determined in acetonitrile and acetone. Also, it was found that the phenomenon of cationic homoconjugation equilibria was not present in the systems involving 4-nitropyridine N-oxide derivatives in both solvents used. Furthermore, protonation energies, {delta}E{sub prot}, and Gibbs free enthalpies, {delta}G{sub prot}, in vacuo have been compared with acid dissociation constants (expressed as pK{sub a}{sup MeOH} values) of the protonated N-oxides determined by potentiometric titration in methanol to establish a correlation between these magnitudes.

Effect of Calcium Chloride on the Permeation of the Cryoprotectant Dimethyl Sulfoxide to Japanese Whiting Sillago japonica Embryos

Science.gov (United States)

Rahman, Sk. Mustafizur; Majhi, Sullip Kumar; Suzuki, Toru; Strussmann, Carlos Augusto; Watanabe, Manabu

Cryopreservation of fish eggs and embryos is a highly desired tool to promote aquaculture production and fisheries resource management, but it is still not technically feasible. The failure to develop successful cryopreservation protocols for fish embryos is largely attributed to poor cryoprotectant permeability. The purpose of this study was to test the effectiveness of CaCl2 to enhance cryoprotectant uptake by fish embryos. In this study, embryos (somites and tail elongation stages) of Japanese whiting Sillago japonica were exposed to 10 and 15% dimethyl sulfoxide (DMSO) in artificial sea water (ASW) or a solution of 0.125M CaCl2 in distilled water for 20 min at 24°C. The toxicity of all solutions was estimated from the hatching rates of the embryos and High Performance Liquid Chromatography was used to determine the amount of DMSO taken up during impregnation. The results showed that DMSO incorporation into the embryos was greatly (›50%) enhanced in the presence of CaCl2 compared to ASW. CaCl2 itself was not toxic to the embryos but, probably as a result of the enhanced DMSO uptake, caused decreases in survival of about 14-44% relative to ASW. Somites stage embryos were more tolerant than tail elongation ones to DMSO both as ASW and CaCl2 solutions. The use of CaCl2 as a vehicle for DMSO impregnation could be a promising aid for the successful cryopreservation of fish embryos.

Synthesis And Characterization Of An Ion Imprinted Polymer For Cadmium Using Quinaldic Acid As Complexing Agent And Applying By Microwave

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Asmawati

2015-01-01

Full Text Available Abstract A Cd2 Ion Imprinted Polymer Cd-IIP has been synthesized by copolymerizaton of cadmium ion quinaldic acid complexing agent 4-vynil pyridine monomer dimethyl sulfoxide solvent ethyleneglycoldimethacrylate EGDMA cross-linker and 22-azobis-isobutyronitrile AIBN initiator. Polymerization was conducted using a microwave at a temperature of 70 oC with heating times of 45 minutes. The template Cd2 was removed by leaching the template with ethanol and 4 M HCl washed by aquabidest and dried in an oven at the temperature of 60oC. The polymer particles imprinted and nonimprinted were characterized using fourir transform infrared FTIR spectroscopy scanning electron microscopy SEM and energy dispersive spectroscopy EDS. The result showed that using heating time 45 minutes at temperature 70 oC the particle morphology is viewed like as the large homogeneous. So the imprinted polymer had bands at 3483 cm-1 1726 cm-1 and 1155 cm-1 indicating the presence of OH CO and C-O respectively.

Halogen-Bonding-Assisted Iodosylbenzene Activation by a Homogenous Iron Catalyst

DEFF Research Database (Denmark)

de Sousa, David P.; Wegeberg, Christina; Vad, Mads Sørensen

2016-01-01

The iron(III) complex of hexadentate N,N,N′-tris(2-pyridylmethyl)ethylendiamine-N′-acetate (tpena−) is a more effective homogenous catalyst for selective sulfoxidation and epoxidation with insoluble iodosylbenzene, [PhIO]n, compared with soluble methyl-morpholine-N-oxide (NMO). We propose that two...

Effects of transgenic methionine sulfoxide reductase A (MsrA expression on lifespan and age-dependent changes in metabolic function in mice

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Adam B. Salmon

2016-12-01

Full Text Available Mechanisms that preserve and maintain the cellular proteome are associated with long life and healthy aging. Oxidative damage is a significant contributor to perturbation of proteostasis and is dealt with by the cell through regulation of antioxidants, protein degradation, and repair of oxidized amino acids. Methionine sulfoxide reductase A (MsrA repairs oxidation of free- and protein-bound methionine residues through enzymatic reduction and is found in both the cytosol and the mitochondria. Previous studies in Drosophila have shown that increasing expression of MsrA can extend longevity. Here we test the effects of increasing MsrA on longevity and healthy aging in two transgenic mouse models. We show that elevated expression of MsrA targeted specifically to the cytosol reduces the rate of age-related death in female mice when assessed by Gompertz analysis. However, neither cytosolic nor mitochondrial MsrA overexpression extends lifespan when measured by log-rank analysis. In mice with MsrA overexpression targeted to the mitochondria, we see evidence for improved insulin sensitivity in aged female mice. With these and our previous data, we conclude that the increasing MsrA expression in mice has differential effects on aging and healthy aging that are dependent on the target of its subcellular localization.

Carboxymethyl Cellulose (CMC) from Oil Palm Empty Fruit Bunch (OPEFB) in the new solvent Dimethyl Sulfoxide (DMSO)/Tetrabutylammonium Fluoride (TBAF)

Science.gov (United States)

Eliza, M. Y.; Shahruddin, M.; Noormaziah, J.; Rosli, W. D. Wan

2015-06-01

The surplus of Oil Palm is the most galore wastes in Malaysia because it produced about half of the world palm oil production, which contributes a major disposal problem Synthesis from an empty fruit bunch produced products such as Carboxymethyl Cellulose (CMC), could apply in diverse application such as for paper coating, food packaging and most recently, the potential as biomaterials has been revealed. In this study, CMC was prepared by firstly dissolved the bleached pulp from OPEFB in mixture solution of dimethyl sulfoxide(DMSO)/tetrabutylammonium fluoride (TBAF) without any prior chemical modification. It took only 30 minutes to fully dissolve at temperature 60°C before sodium hydroxide (NaOH) were added for activation and monochloroacetateas terrifying agent. The final product is appeared in white powder, which is then will be analyzedby FTIR analysis. FTIR results show peaks appeared at wavenumber between 1609 cm-1 to 1614 cm-1 proved the existence of carboxymethyl groups which substitute OH groups at anhydroglucose(AGU) unit. As a conclusion, mixture solution of DMSO/TBAF is the suitable solvent used for dissolved cellulose before modifying it into CMC with higher Degree of Substitution (DS). Furthermore, the dissolution of the OPEFB bleached pulp was easy, simple and at a faster rate without prior chemical modification at temperature as low as 60°C.

Solute-solvent interactions in 2,4-dihydroxyacetophenone isonicotinoylhydrazone solutions in N, N-dimethylformamide and dimethyl sulfoxide at 298-313 K on ultrasonic and viscometric data

Science.gov (United States)

Dikkar, A. B.; Pethe, G. B.; Aswar, A. S.

2016-02-01

The speed of sound ( u), density (ρ), and viscosity (η) of 2,4-dihydroxyacetophenone isonicotinoylhydrazone (DHAIH) have been measured in N, N-dimethyl formamide and dimethyl sulfoxide at equidistance temperatures 298.15, 303.15, 308.15, and 313.15 K. These data were used to calculate some important ultrasonic and thermodynamic parameters such as apparent molar volume ( V ϕ s st ), apparent molar compressibility ( K ϕ), partial molar volume ( V ϕ 0 ) and partial molar compressibility ( K ϕ 0 ), were estimated by using the values of ( V ϕ 0 ) and ( K ϕ), at infinite dilution. Partial molar expansion at infinite dilution, (ϕ E 0 ) has also been calculated from temperature dependence of partial molar volume V ϕ 0 . The viscosity data have been analyzed using the Jones-Dole equation, and the viscosity, B coefficients are calculated. The activation free energy has been calculated from B coefficients and partial molar volume data. The results have been discussed in the term of solute-solvent interaction occurring in solutions and it was found that DHAIH acts as a structure maker in present systems.

Freezing of Apheresis Platelet Concentrates in 6% Dimethyl Sulfoxide: The First Preliminary Study in Turkey

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Soner Yılmaz

2016-03-01

Full Text Available Objective: Transfusion of platelet suspensions is an essential part of patient care for certain clinical indications. In this pioneering study in Turkey, we aimed to assess the in vitro hemostatic functions of platelets after cryopreservation. Materials and Methods: Seven units of platelet concentrates were obtained by apheresis. Each apheresis platelet concentrate (APC was divided into 2 equal volumes and frozen with 6% dimethyl sulfoxide (DMSO. The 14 frozen units of APCs were kept at -80 °C for 1 day. APCs were thawed at 37 °C and diluted either with autologous plasma or 0.9% NaCl. The volume and residual numbers of leukocytes and platelets were tested in both before-freezing and post-thawing periods. Aggregation and thrombin generation tests were used to analyze the in vitro hemostatic functions of platelets. Flow-cytometric analysis was used to assess the presence of frozen treated platelets and their viability. Results: The residual number of leukocytes in both dilution groups was <1x106. The mean platelet recovery rate in the plasma-diluted group (88.1±9.5% was higher than that in the 0.9% NaCl-diluted group (63±10%. These results were compatible with the European Directorate for the Quality of Medicines quality criteria. Expectedly, there was no aggregation response to platelet aggregation test. The mean thrombin generation potential of postthaw APCs was higher in the plasma-diluted group (2411 nmol/L per minute when compared to both the 0.9% NaCl-diluted group (1913 nmol/L per minute and the before-freezing period (1681 nmol/L per minute. The flowcytometric analysis results for the viability of APCs after cryopreservation were 94.9% and 96.6% in the plasma and 0.9% NaCl groups, respectively. Conclusion: Cryopreservation of platelets with 6% DMSO and storage at -80 °C increases their shelf life from 7 days to 2 years. Besides the increase in hemostatic functions of platelets, the cryopreservation process also does not affect their

Dehydroacetic Acid Derivatives Bearing Amide or Urea Moieties as Effective Anion Receptors.

Science.gov (United States)

Bregović, Nikola; Cindro, Nikola; Bertoša, Branimir; Barišić, Dajana; Frkanec, Leo; Užarević, Krunoslav; Tomišić, Vladislav

2017-08-01

Derivatives of dehydroacetic acid comprising amide or urea subunits have been synthesized and their anion-binding properties investigated. Among a series of halides and oxyanions, the studied compounds selectively bind acetate and dihydrogen phosphate in acetonitrile and dimethyl sulfoxide. The corresponding complexation processes were characterized by means of 1 H NMR titrations, which revealed a 1:1 complex stoichiometry in most cases, with the exception of dihydrogen phosphate, which formed 2:1 (anion/ligand) complexes in acetonitrile. The complex stability constants were determined and are discussed with respect to the structural properties of the receptors, the hydrogen-bond-forming potential of the anions, and the characteristics of the solvents used. Based on the spectroscopic data and results of Monte Carlo simulations, the amide or urea groups were affirmed as the primary binding sites in all cases. The results of the computational methods indicate that an array of both inter- and intramolecular hydrogen bonds can form in the studied systems, and these were shown to play an important role in defining the overall stability of the complexes. Solubility measurements were carried out in both solvents and the thermodynamics of transfer from acetonitrile to dimethyl sulfoxide were characterized on a quantitative level. This has afforded a detailed insight into the impact of the medium on the complexation reactions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diaquabis(dimethyl sulfoxide-κObis(saccharinato-κNcobalt(II

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Fezile S. W. Potwana

2011-12-01

Full Text Available The title complex, [Co(C7H4NO3S2(C2H6OS2(H2O2], contains a Co2+ cation in an octahedral coordination environment. The metal atom is surrounded by two different neutral ligands, namely dimethylsulfoxide (DMSO and water, each coordinating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-ide ligand coordinates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Co atom lies on a crystallographic center of symmetry and the octahedral geometry is not significantly distorted. A short O—H...O hydrogen bond is present between a water H atom and the ketone O atom; two longer hydrogen bonds (intra- and intermolecular are also present between a water H and a sulfonic O atom, forming a supramolecular assembly through head-to-tail aggregation between adjacent complexes.

Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure

NARCIS (Netherlands)

Tanley, S.W.M.; Schreurs, A.M.M.; Kroon-Batenburg, L.M.J.; Helliwell, J.R.

2012-01-01

The anticancer complexes cisplatin and carboplatin are known to bind to both the N and the N" atoms of His15 of hen egg-white lysozyme (HEWL) in the presence of dimethyl sulfoxide (DMSO). However, neither binds in aqueous media after 4 d of crystallization and crystal growth, suggesting that DMSO

Deficiency of methionine sulfoxide reductase A causes cellular dysfunction and mitochondrial damage in cardiac myocytes under physical and oxidative stresses

International Nuclear Information System (INIS)

Nan, Changlong; Li, Yuejin; Jean-Charles, Pierre-Yves; Chen, Guozhen; Kreymerman, Alexander; Prentice, Howard; Weissbach, Herbert; Huang, Xupei

2010-01-01

Research highlights: → Deficiency of MsrA in the heart renders myocardial cells more sensitive to oxidative stress. → Mitochondrial damage happens in the heart lacking MsrA. → More protein oxidation in myocardial cells lacking MsrA. → MsrA protects the heart against oxidative stress. -- Abstract: Methionine sulfoxide reductase A (MsrA) is an enzyme that reverses oxidation of methionine in proteins. Using a MsrA gene knockout (MsrA -/- ) mouse model, we have investigated the role of MsrA in the heart. Our data indicate that cellular contractility and cardiac function are not significantly changed in MsrA -/- mice if the hearts are not stressed. However, the cellular contractility, when stressed using a higher stimulation frequency (2 Hz), is significantly reduced in MsrA -/- cardiac myocytes. MsrA -/- cardiac myocytes also show a significant decrease in contractility after oxidative stress using H 2 O 2 . Corresponding changes in Ca 2+ transients are observed in MsrA -/- cardiomyocytes treated with 2 Hz stimulation or with H 2 O 2 . Electron microscope analyses reveal a dramatic morphological change of mitochondria in MsrA -/- mouse hearts. Further biochemical measurements indicate that protein oxidation levels in MsrA -/- mouse hearts are significantly higher than those in wild type controls. Our study demonstrates that the lack of MsrA in cardiac myocytes reduces myocardial cell's capability against stress stimulations resulting in a cellular dysfunction in the heart.

Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers.

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Chyba, Jan; Novák, Martin; Munzarová, Petra; Novotný, Jan; Marek, Radek

2018-04-05

The potential of paramagnetic ruthenium(III) compounds for use as anticancer metallodrugs has been investigated extensively during the past several decades. However, the means by which these ruthenium compounds are transported and distributed in living bodies remain relatively unexplored. In this work, we prepared several novel ruthenium(III) compounds with the general structure Na + [ trans-Ru III Cl 4 (DMSO)(L)] - (DMSO = dimethyl sulfoxide), where L stands for pyridine or imidazole linked with adamantane, a hydrophobic chemophore. The supramolecular interactions of these compounds with macrocyclic carriers of the cyclodextrin (CD) and cucurbit[ n]uril (CB) families were investigated by NMR spectroscopy, X-ray diffraction analysis, isothermal titration calorimetry, and relativistic DFT methods. The long-range hyperfine NMR effects of the paramagnetic guest on the host macrocycle are related to the distance between them and their relative orientation in the host-guest complex. The CD and CB macrocyclic carriers being studied in this account can be attached to a vector that attracts the drug-carrier system to a specific biological target and our investigation thus introduces a new possibility in the field of targeted delivery of anticancer metallodrugs based on ruthenium(III) compounds.

Microbial activity in aquatic environments measured by dimethyl sulfoxide reduction and intercomparison with commonly used methods.

Science.gov (United States)

Griebler, C; Slezak, D

2001-01-01

A new method to determine microbial (bacterial and fungal) activity in various freshwater habitats is described. Based on microbial reduction of dimethyl sulfoxide (DMSO) to dimethyl sulfide (DMS), our DMSO reduction method allows measurement of the respiratory activity in interstitial water, as well as in the water column. DMSO is added to water samples at a concentration (0.75% [vol/vol] or 106 mM) high enough to compete with other naturally occurring electron acceptors, as determined with oxygen and nitrate, without stimulating or inhibiting microbial activity. Addition of NaN(3), KCN, and formaldehyde, as well as autoclaving, inhibited the production of DMS, which proves that the reduction of DMSO is a biotic process. DMSO reduction is readily detectable via the formation of DMS even at low microbial activities. All water samples showed significant DMSO reduction over several hours. Microbially reduced DMSO is recovered in the form of DMS from water samples by a purge and trap system and is quantified by gas chromatography and detection with a flame photometric detector. The DMSO reduction method was compared with other methods commonly used for assessment of microbial activity. DMSO reduction activity correlated well with bacterial production in predator-free batch cultures. Cell-production-specific DMSO reduction rates did not differ significantly in batch cultures with different nutrient regimes but were different in different growth phases. Overall, a cell-production-specific DMSO reduction rate of 1.26 x 10(-17) +/- 0. 12 x 10(-17) mol of DMS per produced cell (mean +/- standard error; R(2) = 0.78) was calculated. We suggest that the relationship of DMSO reduction rates to thymidine and leucine incorporation is linear (the R(2) values ranged from 0.783 to 0.944), whereas there is an exponential relationship between DMSO reduction rates and glucose uptake, as well as incorporation (the R(2) values ranged from 0.821 to 0.931). Based on our results, we

Differences and Comparisons of the Properties and Reactivities of Iron(III)–hydroperoxo Complexes with Saturated Coordination Sphere

Science.gov (United States)

Faponle, Abayomi S; Quesne, Matthew G; Sastri, Chivukula V; Banse, Frédéric; de Visser, Sam P

2015-01-01

Heme and nonheme monoxygenases and dioxygenases catalyze important oxygen atom transfer reactions to substrates in the body. It is now well established that the cytochrome P450 enzymes react through the formation of a high-valent iron(IV)–oxo heme cation radical. Its precursor in the catalytic cycle, the iron(III)–hydroperoxo complex, was tested for catalytic activity and found to be a sluggish oxidant of hydroxylation, epoxidation and sulfoxidation reactions. In a recent twist of events, evidence has emerged of several nonheme iron(III)–hydroperoxo complexes that appear to react with substrates via oxygen atom transfer processes. Although it was not clear from these studies whether the iron(III)–hydroperoxo reacted directly with substrates or that an initial O–O bond cleavage preceded the reaction. Clearly, the catalytic activity of heme and nonheme iron(III)–hydroperoxo complexes is substantially different, but the origins of this are still poorly understood and warrant a detailed analysis. In this work, an extensive computational analysis of aromatic hydroxylation by biomimetic nonheme and heme iron systems is presented, starting from an iron(III)–hydroperoxo complex with pentadentate ligand system (L52). Direct C–O bond formation by an iron(III)–hydroperoxo complex is investigated, as well as the initial heterolytic and homolytic bond cleavage of the hydroperoxo group. The calculations show that [(L52)FeIII(OOH)]2+ should be able to initiate an aromatic hydroxylation process, although a low-energy homolytic cleavage pathway is only slightly higher in energy. A detailed valence bond and thermochemical analysis rationalizes the differences in chemical reactivity of heme and nonheme iron(III)–hydroperoxo and show that the main reason for this particular nonheme complex to be reactive comes from the fact that they homolytically split the O–O bond, whereas a heterolytic O–O bond breaking in heme iron(III)–hydroperoxo is found. PMID:25399782

Chemical exchange in novel spirobicyclic zwitterionic Janovsky complexes using dynamic 1H NMR spectroscopy.

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Culf, A S; Cuperlović-Culf, M; Ouellette, R J

2009-02-01

Highly coloured Janovsky complexes have been known for over 120 years, being used in many colourimetric analytical procedures. In this present study, two novel and stable nitrocyclohexadienyl spirobicyclic, zwitterionic Janovsky anionic hydantoin sigma-complexes, rac-1,3-diisopropyl-6-nitro-2,4-dioxo-1,3-diazaspiro[4.5]deca-6,9-dien-8-ylideneazinate, ammonium internal salt (1) and 1,3-diisopropyl-2,4-dioxo-1,3-diazaspiro[4.5]deca-6,9-dien-8-ylideneazinate, ammonium internal salt (2) have been prepared and characterised by NMR, electrospray ionization mass spectrometry (ESI-MS) and UV/visible methods. For the p-mononitro-substituted complex (2), we discovered chemical exchange behaviour using 1D saturation transfer and 2D exchange spectroscopy (EXSY) (1)H NMR techniques. The coalescence temperature was determined to be 62 degrees C in d(3)-acetonitrile. Analysis of these data provided a Gibbs free energy of activation, DeltaG double dagger, of + 67 kJ mole(-1), a rate constant, k, coalescence of 220 Hz and an equilibrium constant, K(eqm), of 0.98 as estimates of the exchange process in this solvent. Of the two mechanisms proposed for this fluxional behaviour, ring opening to a substituted benzene or proton exchange, a further theoretical modelling study of 1D (1)H NMR spectra was able to confirm that simple proton exchange between the two nitrogen sites of the hydantoin ring provided an accurate simulation of the observed experimental evidence. Interestingly, the o,p-dinitro-substituted complex (1) did not show any chemical exchange behaviour up to 150 degrees C in d(3)-acetonitrile (to 75 degrees C) and d(6)-dimethyl sulfoxide (DMSO). Molecular modelling at the MM2 level suggests that steric collisions of an N-acyl isopropyl substituent of the hydantoin ring with the ortho-nitro group of the spirofused cyclohexadienyl ring prevents the proposed proton exchange mechanism occurring in this case. 2008 Crown in the right of Canada. Published by John Wiley & Sons, Ltd.

Synthesis, physicochemical characterization, DFT calculation and biological activities of Fe(III) and Co(II)-omeprazole complexes. Potential application in the Helicobacter pylori eradication

Science.gov (United States)

Russo, Marcos G.; Vega Hissi, Esteban G.; Rizzi, Alberto C.; Brondino, Carlos D.; Salinas Ibañez, Ángel G.; Vega, Alba E.; Silva, Humberto J.; Mercader, Roberto; Narda, Griselda E.

2014-03-01

The reaction between the antiulcer agent omeprazole (OMZ) with Fe(III) and Co(II) ions was studied, observing a high ability to form metal complexes. The isolated microcrystalline solid complexes were characterized by elemental analysis, X-ray powder diffraction (XRPD), Scanning Electron Microscopy (SEM), magnetic measurements, thermal study, FTIR, UV-Visible, Mössbauer, electronic paramagnetic resonance (EPR), and DFT calculations. The metal-ligand ratio for both complexes was 1:2 determined by elemental and thermal analysis. FTIR spectroscopy showed that OMZ acts as a neutral bidentate ligand through the pyridinic nitrogen of the benzimidazole ring and the oxygen atom of the sulfoxide group, forming a five-membered ring chelate. Electronic, Mössbauer, and EPR spectra together with magnetic measurements indicate a distorted octahedral geometry around the metal ions, where the coordination sphere is completed by two water molecules. SEM and XRPD were used to characterize the morphology and the crystal nature of the complexes. The most favorable conformation for the Fe(III)-OMZ and Co(II)-OMZ complexes was obtained by DFT calculations by using B3LYP/6-31G(d)&LanL2DZ//B3LYP/3-21G(d)&LanL2DZ basis set. Studies of solubility along with the antibacterial activity against Helicobacter pylori for OMZ and its Co(II) and Fe(III) complexes are also reported. Free OMZ and both metal complexes showed antibacterial activity against H. pylori. Co(II)-OMZ presented a minimal inhibitory concentration ˜32 times lower than that of OMZ and ˜65 lower than Fe(III)-OMZ, revealing its promising potential use for the treatment of gastric pathologies associated with the Gram negative bacteria. The morphological changes observed in the cell membrane of the bacteria after the incubation with the metal-complexes were also analyzed by SEM microscopy. The antimicrobial activity of the complexes was proved by the viability test.

Synthesis, Characterization and Antimicrobial Activities of Some ...

African Journals Online (AJOL)

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of metal ions with vitamin.111: Synthesis and infrared spectra of metal complexes with pyridoxamine and pyridoxine. Inorg. Chim. Acta, 46, 191-197. Gary, J and Adeyemo, A (1981) Interaction of vitamin B1 with Zn(II), Cd (II) and Hg(II) in. Deuterated Dimethyl Sulfoxide. Inorg. Chim. Acta, 55, 93-98. Gohzalez-vergara, E ...

Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes.

Science.gov (United States)

Zhang, Peng; Polavarapu, Prasad L

2007-02-08

Structures of three dialkyl tartrates, namely, dimethyl tartrate, diethyl tartrate, and diisopropyl tartrate, in CCl4, dimethyl sulfoxide (DMSO)/DMSO-d6, and H2O/D2O solvents have been investigated using vibrational absorption (VA), vibrational circular dichroism (VCD), and optical rotatory dispersion (ORD). VA, VCD, and ORD spectra are found to be dependent on the solvent used. Density functional theory (DFT) calculations are used to interpret the experimental data in CCl4 and DMSO. The trans-COOR conformer with hydrogen bonding between the OH group and the C=O group attached to the same chiral carbon is dominant for dialkyl tartrates both in vacuum and in CCl4. The experimental VA, VCD, and ORD data of dialkyl-D-tartrates in CCl4 correlated well with those predicted for dimethyl-(S,S)-tartrate molecule as both isolated and solvated in CCl4. In DMSO solvent, dialkyl tartrate molecules favor formation of intermolecular hydrogen bonding with DMSO molecules. Clusters of dimethyl-(S,S)-tartrate, with one molecule of dimethyl-(S,S)-tartrate hydrogen bonded to two DMSO molecules, are used for the DFT calculations. A trans-COOR cluster and a trans-H cluster are needed to obtain a reasonable agreement between the predicted and experimental data of dimethyl tartrate in DMSO solvent. VA, VCD, and optical rotations are also measured for dialkyl tartrate-cyclodextrin complexes. It is noted that these properties are barely affected by complexation of dialkyl tartrates with cyclodextrins, indicating weak interaction between tartrates and cyclodextrin. Binding constants of alpha-CD and beta-CD with diethyl L-tartrate in both H2O and DMSO have been determined using isothermal titration calorimetry technique. The smaller binding constants (less than 100) confirmed the weak interaction between tartrates and cyclodextrin in the solution state.

Mechanisms of fenthion activation in rainbow trout (Oncorhynchus mykiss) acclimated to hypersaline environments

International Nuclear Information System (INIS)

Lavado, Ramon; Rimoldi, John M.; Schlenk, Daniel

2009-01-01

Previous studies in rainbow trout have shown that acclimation to hypersaline environments enhances the toxicity to thioether organophosphate and carbamate pesticides. In order to determine the role of biotransformation in this process, the metabolism of the thioether organophosphate biocide, fenthion was evaluated in microsomes from gills, liver and olfactory tissues in rainbow trout (Oncorhynchus mykiss) acclimated to freshwater and 17 per mille salinity. Hypersalinity acclimation increased the formation of fenoxon and fenoxon sulfoxide from fenthion in liver microsomes from rainbow trout, but not in gills or in olfactory tissues. NADPH-dependent and independent hydrolysis was observed in all tissues, but only NADPH-dependent fenthion cleavage was differentially modulated by hypersalinity in liver (inhibited) and gills (induced). Enantiomers of fenthion sulfoxide (65% and 35% R- and S-fenthion sulfoxide, respectively) were formed in liver and gills. The predominant pathway of fenthion activation in freshwater appears to be initiated through initial formation of fenoxon which may be subsequently converted to the most toxic metabolite fenoxon R-sulfoxide. However, in hypersaline conditions both fenoxon and fenthion sulfoxide formation may precede fenoxon sulfoxide formation. Stereochemical evaluation of sulfoxide formation, cytochrome P450 inhibition studies with ketoconazole and immunoblots indicated that CYP3A27 was primarily involved in the enhancement of fenthion activation in hypersaline-acclimated fish with limited contribution of FMO to initial sulfoxidation

Dimethyl sulfoxide inhibits spontaneous diabetes and autoimmune recurrence in non-obese diabetic mice by inducing differentiation of regulatory T cells

International Nuclear Information System (INIS)

Lin, Gu-Jiun; Sytwu, Huey-Kang; Yu, Jyh-Cherng; Chen, Yuan-Wu; Kuo, Yu-Liang; Yu, Chiao-Chi; Chang, Hao-Ming; Chan, De-Chuan; Huang, Shing-Hwa

2015-01-01

Type 1 diabetes mellitus (T1D) is caused by the destruction of insulin-producing β cells in pancreatic islets by autoimmune T cells. Islet transplantation has been established as an effective therapeutic strategy for T1D. However, the survival of islet grafts can be disrupted by recurrent autoimmunity. Dimethyl sulfoxide (DMSO) is a solvent for organic and inorganic substances and an organ-conserving agent used in solid organ transplantations. DMSO also exerts anti-inflammatory, reactive oxygen species scavenger and immunomodulatory effects and therefore exhibits therapeutic potential for the treatment of several human inflammatory diseases. In this study, we investigated the therapeutic potential of DMSO in the inhibition of autoimmunity. We treated an animal model of islet transplantation (NOD mice) with DMSO. The survival of the syngeneic islet grafts was significantly prolonged. The population numbers of CD8, DC and Th1 cells were decreased, and regulatory T (Treg) cell numbers were increased in recipients. The expression levels of IFN-γ and proliferation of T cells were also reduced following DMSO treatment. Furthermore, the differentiation of Treg cells from naive CD4 T cells was significantly increased in the in vitro study. Our results demonstrate for the first time that in vivo DMSO treatment suppresses spontaneous diabetes and autoimmune recurrence in NOD mice by inhibiting the Th1 immune response and inducing the differentiation of Treg cells. - Highlights: • We report a therapeutic potential of DMSO in autoimmune diabetes. • DMSO exhibits an immune modulatory effect. • DMSO treatment increases regulatory T cell differentiation. • The increase in STAT5 signaling pathway explains the effect of DMSO in Tregs

Dimethyl sulfoxide inhibits spontaneous diabetes and autoimmune recurrence in non-obese diabetic mice by inducing differentiation of regulatory T cells

Energy Technology Data Exchange (ETDEWEB)

Lin, Gu-Jiun [Department of Biology and Anatomy, National Defense Medical Center, Taipei, Taiwan, ROC (China); Sytwu, Huey-Kang [Department of Microbiology and Immunology, National Defense Medical Center, Taipei, Taiwan, ROC (China); Yu, Jyh-Cherng [Department of General Surgery, Tri-Service General Hospital, National Defense Medical Center, Taipei, Taiwan, ROC (China); Chen, Yuan-Wu [School of Dentistry, National Defense Medical Center, Taipei, Taiwan, ROC (China); Department of Oral and Maxillofacial Surgery, Tri-Service General Hospital, National Defense Medical Center, Taipei, Taiwan, ROC (China); Kuo, Yu-Liang [Department of Medical Imaging, Chung Shan Medical University Hospital, Taichung, Taiwan, ROC (China); School of Medical Imaging and Radiological Sciences, Chung Shan Medical University, Taichung, Taiwan, ROC (China); Yu, Chiao-Chi [Department of Biology and Anatomy, National Defense Medical Center, Taipei, Taiwan, ROC (China); Department of General Surgery, Tri-Service General Hospital, National Defense Medical Center, Taipei, Taiwan, ROC (China); Chang, Hao-Ming; Chan, De-Chuan [Department of General Surgery, Tri-Service General Hospital, National Defense Medical Center, Taipei, Taiwan, ROC (China); Huang, Shing-Hwa, E-mail: h610129@gmail.com [Department of Biology and Anatomy, National Defense Medical Center, Taipei, Taiwan, ROC (China); Department of General Surgery, Tri-Service General Hospital, National Defense Medical Center, Taipei, Taiwan, ROC (China)

2015-01-15

Type 1 diabetes mellitus (T1D) is caused by the destruction of insulin-producing β cells in pancreatic islets by autoimmune T cells. Islet transplantation has been established as an effective therapeutic strategy for T1D. However, the survival of islet grafts can be disrupted by recurrent autoimmunity. Dimethyl sulfoxide (DMSO) is a solvent for organic and inorganic substances and an organ-conserving agent used in solid organ transplantations. DMSO also exerts anti-inflammatory, reactive oxygen species scavenger and immunomodulatory effects and therefore exhibits therapeutic potential for the treatment of several human inflammatory diseases. In this study, we investigated the therapeutic potential of DMSO in the inhibition of autoimmunity. We treated an animal model of islet transplantation (NOD mice) with DMSO. The survival of the syngeneic islet grafts was significantly prolonged. The population numbers of CD8, DC and Th1 cells were decreased, and regulatory T (Treg) cell numbers were increased in recipients. The expression levels of IFN-γ and proliferation of T cells were also reduced following DMSO treatment. Furthermore, the differentiation of Treg cells from naive CD4 T cells was significantly increased in the in vitro study. Our results demonstrate for the first time that in vivo DMSO treatment suppresses spontaneous diabetes and autoimmune recurrence in NOD mice by inhibiting the Th1 immune response and inducing the differentiation of Treg cells. - Highlights: • We report a therapeutic potential of DMSO in autoimmune diabetes. • DMSO exhibits an immune modulatory effect. • DMSO treatment increases regulatory T cell differentiation. • The increase in STAT5 signaling pathway explains the effect of DMSO in Tregs.

Second-harmonic generation microscopy used to evaluate the effect of the dimethyl sulfoxide in the cryopreservation process in collagen fibers of differentiated chondrocytes

Science.gov (United States)

Andreoli-Risso, M. F.; Duarte, A. S. S.; Ribeiro, T. B.; Bordeaux-Rego, P.; Luzo, A.; Baratti, M. O.; Adur, J.; de Thomaz, A. A.; Pelegati, V. B.; Carvalho, H. F.; Cesar, C. L.; Kharmadayan, P.; Costa, F. F.; Olalla-Saad, S. T.

2012-03-01

Cartilaginous lesions are a significant public health problem and the use of adult stem cells represents a promising therapy for this condition. Cryopreservation confers many advantages for practitioners engaged in cell-based therapies. However, conventional slow freezing has always been associated with damage and mortality due to intracellular ice formation, cryoprotectant toxicity, and dehydration. The aim of this work is to observe the effect of the usual Dimethyl Sulfoxide (DMSO) cryopreservation process on the architecture of the collagen fiber network of chondrogenic cells from mesenchymal stem cells by Second Harmonic Generation (SHG) microscopy. To perform this study we used Mesenchymal Stem Cells (MSC) derived from adipose tissue which presents the capacity to differentiate into other lineages such as osteogenic, adipogenic and chondrogenic lineages. Mesenchymal stem cells obtained after liposuction were isolated digested by collagenase type I and characterization was carried out by differentiation of mesodermic lineages, and flow cytometry using specific markers. The isolated MSCs were cryopreserved by the DMSO technique and the chondrogenic differentiation was carried out using the micromass technique. We then compared the cryopreserved vs non-cryopreserved collagen fibers which are naturally formed during the differentiation process. We observed that noncryopreserved MSCs presented a directional trend in the collagen fibers formed which was absent in the cryopreserved MSCs. We confirmed this trend quantitatively by the aspect ratio obtained by Fast Fourier Transform which was 0.76 for cryopreserved and 0.52 for non-cryopreserved MSCs, a statistical significant difference.

Comparative pharmacokinetics and bioavailability of albendazole sulfoxide in sheep and goats, and dose-dependent plasma disposition in goats.

Science.gov (United States)

Aksit, Dilek; Yalinkilinc, Hande Sultan; Sekkin, Selim; Boyacioğlu, Murat; Cirak, Veli Yilgor; Ayaz, Erol; Gokbulut, Cengiz

2015-05-27

The aims of this study were to compare the pharmacokinetics of albendazole sulfoxide (ABZ-SO, ricobendazole) in goats and sheep at a dose of 5 g/kg bodyweight (BW), after intravenous (IV) and subcutaneous (SC) administrations, and to investigate the effects of increased doses (10 and 15 mg/kg BW) on the plasma disposition of ABZ-SO in goats following SC administration. A total of 16 goats (Capra aegagrus hircus, eight males and eight females) and 8 sheep (Ovis aries, four males and four females) 12-16 months old and weighing 20-32 kg, were used. The study was designed according to two-phase crossover study protocol. In Phase-1, eight sheep were assigned as Group I and 16 goats were allocated into two groups (Group II and Group III). ABZ-SO was applied to Group I (sheep) and Group II (goats) animals subcutaneously, and to Group III (goats) animals intravenously, all at a dose rate of 5 mg/kg BW. In Phase-2, the sheep in the Group I received ABZ-SO intravenously in a dose of 5 mg/kg BW; the goats in Group II and Group III received ABZ-SO subcutaneously at a dose of 10 mg/kg and 15 mg/kg BW, respectively. Blood samples were collected from the jugular vein at different times between 1 and 120 h after drug administrations. The plasma concentrations of ABZ-SO and its metabolites were analysed by high performance liquid chromatography. In goats, the area under the curve, terminal half-life and plasma persistence of ABZ-SO were significantly smaller and shorter, respectively, compared with those observed in sheep following both IV and SC administrations at a dose of 5 mg/kg BW. On the other side, dose-dependent plasma dispositions of ABZ-SO were observed following SC administration at increased doses (10 and 15 mg/kg) in goats. Consequently, ABZ-SO might be used at higher doses to provide higher plasma concentration and thus to achieve greater efficacy against the target parasites.

Dimethyl sulfoxide (DMSO) waste residues and municipal waste water odor by dimethyl sulfide (DMS): the north-east WPCP plant of Philadelphia.

Science.gov (United States)

Glindemann, Dietmar; Novak, John; Witherspoon, Jay

2006-01-01

This study shows for the first time that overlooked mg/L concentrations of industrial dimethyl sulfoxide (DMSO) waste residues in sewage can cause "rotten cabbage" odor problems bydimethyl sulfide (DMS) in conventional municipal wastewater treatment. In laboratory studies, incubation of activated sludge with 1-10 mg/L DMSO in bottles produced dimethyl sulfide (DMS) at concentrations that exceeded the odor threshold by approximately 4 orders of magnitude in the headspace gas. Aeration at a rate of 6 m3 air/m3 sludge resulted in emission of the DMS into the exhaust air in a manner analogous to that of an activated sludge aeration tank. A field study atthe NEWPCP sewage treatment plant in Philadelphia found DMSO levels intermittently peaking as high as 2400 mg/L in sewage near an industrial discharger. After 3 h, the DMSO concentration in the influent to the aeration tank rose from a baseline level of less than 0.01 mg/L to a level of 5.6 mg/L and the DMS concentration in the mixed liquor rose from less than 0.01 to 0.2 mg/L. Finding this link between the intermittent occurrence of DMSO residues in influent of the treatment plant and the odorant DMS in the aeration tank was the keyto understanding and eliminating the intermittent "canned corn" or "rotten cabbage" odor emissions from the aeration tank that had randomly plagued this plant and its city neighborhood for two decades. Sewage authorities should consider having wastewater samples analyzed for DMSO and DMS to check for this possible odor problem and to determine whether DMSO emission thresholds should be established to limit odor generation at sewage treatment plants.

Dimethyl sulfoxide is a potent modulator of estrogen receptor isoforms and xenoestrogen biomarker responses in primary culture of salmon hepatocytes

International Nuclear Information System (INIS)

Mortensen, Anne S.; Arukwe, Augustine

2006-01-01

Dimethyl sulfoxide (DMSO) has been frequently used as carrier solvent in toxicological experiments where the most compelling DMSO attributes are its exceptionally low toxicity and environmental impact. We were inspired by recent and consistent observations that ethanol and DMSO modulate endocrine-disruptor biomarker responses in both in vitro and in vivo studies in our laboratory, to take a critical evaluation of these effects. Quantitative (real-time) polymerase chain reaction (PCR) method with specific primer pairs was used in this study to measure DMSO-induced time-dependent modulation of estrogen receptor (ER) isoforms, vitellogenin (Vtg) and zona radiata-protein (Zr-protein) gene expression patterns in primary culture of salmon hepatocytes. In addition, immunochemical analysis, using indirect enzyme linked immunosorbent assay (ELISA) with monoclonal (Vtg) and polyclonal (Zr-proteins) antibodies was used to detect and measure Vtg and Zr-proteins secreted in culture media. Salmon hepatocytes were isolated by a two-step collagenase perfusion method and exposed to 0.1% or 10 μL/L of DMSO after 48 h pre-culture. Cells were harvested at 12, 24, 48 and 72 h after exposure and analysed for ERα, ERβ, Vtg and Zr-protein gene expression using real-time PCR method. Media samples were collected at similar time-intervals for protein analysis. Our data show that DMSO-induced significant increase in ERα, ERβ, Vtg and Zr-protein genes in a time-dependent manner. Indirect ELISA analysis showed a time-specific effect of DMSO. The use of DMSO as carrier solvent in fish endocrine disruption studies should be re-evaluated. We recommend more investigation, using other endocrine-disruptor biomarkers in order to validate the suitability of common carrier solvents used in toxicology with the aim of setting new maximum allowable concentrations. In particular, given the high sensitivity of genomic approaches in toxicology, these results may have serious consequences for the

The Thioredoxin Domain of Neisseria Gonorrhoeae PilB can use Electrons from DsbD to Reduce Downstream Methionine Sulfoxide Reductases

Energy Technology Data Exchange (ETDEWEB)

Brot,N.; Collet, J.; Johnson, L.; Jonsson, T.; Weissbach, H.; Lowther, W.

2006-01-01

The PilB protein from Neisseria gonorrhoeae is located in the periplasm and made up of three domains. The N-terminal, thioredoxin-like domain (NT domain) is fused to tandem methionine sulfoxide reductase A and B domains (MsrA/B). We show that the {alpha} domain of Escherichia coli DsbD is able to reduce the oxidized NT domain, which suggests that DsbD in Neisseria can transfer electrons from the cytoplasmic thioredoxin to the periplasm for the reduction of the MsrA/B domains. An analysis of the available complete genomes provides further evidence for this proposition in other bacteria where DsbD/CcdA, Trx, MsrA, and MsrB gene homologs are all located in a gene cluster with a common transcriptional direction. An examination of wild-type PilB and a panel of Cys to Ser mutants of the full-length protein and the individually expressed domains have also shown that the NT domain more efficiently reduces the MsrA/B domains when in the polyprotein context. Within this framework there does not appear to be a preference for the NT domain to reduce the proximal MsrA domain over MsrB domain. Finally, we report the 1.6 {angstrom} crystal structure of the NT domain. This structure confirms the presence of a surface loop that makes it different from other membrane-tethered, Trx-like molecules including TlpA, CcmG and ResA. Subtle differences are observed in this loop when compared to the N. meningitidis NT domain structure. The data taken together supports the formation of specific NT domain interactions with the MsrA/B domains and its in vivo recycling partner, DsbD.

Cryobiology of coral fragments.

Science.gov (United States)

Hagedorn, Mary; Farrell, Ann; Carter, Virginia L

2013-02-01

Around the world, coral reefs are dying due to human influences, and saving habitat alone may not stop this destruction. This investigation focused on the biological processes that will provide the first steps in understanding the cryobiology of whole coral fragments. Coral fragments are a partnership of coral tissue and endosymbiotic algae, Symbiodinium sp., commonly called zooxanthellae. These data reflected their separate sensitivities to chilling and a cryoprotectant (dimethyl sulfoxide) for the coral Pocillopora damicornis, as measured by tissue loss and Pulse Amplitude Modulated fluorometry 3weeks post-treatment. Five cryoprotectant treatments maintained the viability of the coral tissue and zooxanthellae at control values (1M dimethyl sulfoxide at 1.0, 1.5 and 2.0h exposures, and 1.5M dimethyl sulfoxide at 1.0 and 1.5h exposures, P>0.05, ANOVA), whereas 2M concentrations did not (Pzooxanthellae. During the winter when the fragments were chilled, the coral tissue remained relatively intact (∼25% loss) post-treatment, but the zooxanthellae numbers in the tissue declined after 5min of chilling (Pzooxanthellae numbers declined in response to chilling alone (P0.05, ANOVA), but it did not protect against the loss of zooxanthellae (Pzooxanthellae are the most sensitive element in the coral fragment complex and future cryopreservation protocols must be guided by their greater sensitivity. Copyright © 2012 Elsevier Inc. All rights reserved.

A contribution to the controversy over dimethyl sulfoxide toxicity: anesthesia monitoring results in patients treated with Onyx embolization for intracranial aneurysms

Energy Technology Data Exchange (ETDEWEB)

Pamuk, A.G.; Aypar, U. [Hacettepe University Hospital, Department of Anesthesia, Sihhiye, Ankara (Turkey); Saatci, I.; Cekirge, H.S. [Hacettepe University Hospital, Department of Radiology, Ankara (Turkey)

2005-05-01

Onyx injection is a new technique for embolization of cerebral aneurysms that is involved in a controversy about the 'toxicity' of its solvent, dimethyl sulfoxide (DMSO). We retrospectively studied 38 patients treated for aneurysms with the liquid polymer, Onyx. Induction was with propofol, fentanyl and vecuronium, and anesthesia was maintained with isoflurane in O{sub 2} and N{sub 2}O. The patients were given 500 ml of fluid after induction, and bradycardia was prevented in order to keep patients hyperdynamic. Electrocardiography (ECG), non-invasive blood pressure (NIBP), pulse oximetry, core temperatures, invasive blood pressure (BP), etCO{sub 2}, and urine output were monitored throughout the intervention. Heart rate and BP changes in response to balloon inflation, DMSO injection, Onyx injection and balloon deflation were recorded. The patients were followed with serial neurological examinations, computerized tomography and/or magnetic resonance imaging postoperatively for evidence of any neurological injury. Cumulative DMSO doses were always well under previously implicated doses for systemic toxicity. No changes implicating toxic reactions were observed during DMSO and Onyx injections. Balloon-induced changes returned to baseline within 1 min of balloon deflation. Technique-related permanent morbidity occurred in two patients (worsening of cranial nerve palsies in one and monocular blindness in another) and intracranial hemorrhage with resulting death in one patient. All patients showed a tendency to oxygen desaturation, but this finding did not cause any clinical consequence. Anesthesiologists need to be vigilant in monitoring patients treated with techniques that are new or are being developed. We have seen no evidence of toxicity or any anesthetic complications in our group of patients, our only clinical concern being a tendency to oxygen desaturation, which may be explained by the inhalational elimination of DMSO. (orig.)

A contribution to the controversy over dimethyl sulfoxide toxicity: anesthesia monitoring results in patients treated with Onyx embolization for intracranial aneurysms

International Nuclear Information System (INIS)

Pamuk, A.G.; Aypar, U.; Saatci, I.; Cekirge, H.S.

2005-01-01

Onyx injection is a new technique for embolization of cerebral aneurysms that is involved in a controversy about the 'toxicity' of its solvent, dimethyl sulfoxide (DMSO). We retrospectively studied 38 patients treated for aneurysms with the liquid polymer, Onyx. Induction was with propofol, fentanyl and vecuronium, and anesthesia was maintained with isoflurane in O 2 and N 2 O. The patients were given 500 ml of fluid after induction, and bradycardia was prevented in order to keep patients hyperdynamic. Electrocardiography (ECG), non-invasive blood pressure (NIBP), pulse oximetry, core temperatures, invasive blood pressure (BP), etCO 2 , and urine output were monitored throughout the intervention. Heart rate and BP changes in response to balloon inflation, DMSO injection, Onyx injection and balloon deflation were recorded. The patients were followed with serial neurological examinations, computerized tomography and/or magnetic resonance imaging postoperatively for evidence of any neurological injury. Cumulative DMSO doses were always well under previously implicated doses for systemic toxicity. No changes implicating toxic reactions were observed during DMSO and Onyx injections. Balloon-induced changes returned to baseline within 1 min of balloon deflation. Technique-related permanent morbidity occurred in two patients (worsening of cranial nerve palsies in one and monocular blindness in another) and intracranial hemorrhage with resulting death in one patient. All patients showed a tendency to oxygen desaturation, but this finding did not cause any clinical consequence. Anesthesiologists need to be vigilant in monitoring patients treated with techniques that are new or are being developed. We have seen no evidence of toxicity or any anesthetic complications in our group of patients, our only clinical concern being a tendency to oxygen desaturation, which may be explained by the inhalational elimination of DMSO. (orig.)

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium(II) complexes.

Science.gov (United States)

Jian, Zhongbao; Falivene, Laura; Wucher, Philipp; Roesle, Philipp; Caporaso, Lucia; Cavallo, Luigi; Göttker-Schnetmann, Inigo; Mecking, Stefan

2015-01-26

Two series of cationic palladium(II) methyl complexes {[(2-MeOC6 H4 )2 PC6 H4 SO2 NHC6 H3 (2,6-R(1) ,R(2) )]PdMe}2 [A]2 ((X) 1(+) -A: R(1) =R(2) =H: (H) 1(+) -A; R(1) =R(2) =CH(CH3 )2 : (DIPP) 1(+) -A; R(1) =H, R(2) =CF3 : (CF3) 1(+) -A; A=BF4 or SbF6 ) and neutral palladium(II) methyl complexes {[(2-MeOC6 H4 )2 PC6 H4 SO2 NC6 H3 (2,6-R(1) ,R(2) )]PdMe(L)} ((X) 1-acetone: L=acetone; (X) 1-dmso: L=dimethyl sulfoxide; (X) 1-pyr: L=pyridine) chelated by a phosphine-sulfonamide were synthesized and fully characterized. Stoichiometric insertion of methyl acrylate (MA) into all complexes revealed that a 2,1 regiochemistry dominates in the first insertion of MA. Subsequently, for the cationic complexes (X) 1(+) -A, β-H elimination from the 2,1-insertion product (X) 2(+) -AMA-2,1 is overwhelmingly favored over a second MA insertion to yield two major products (X) 4(+) -AMA-1,2 and (X) 5(+) -AMA . By contrast, for the weakly coordinated neutral complexes (X) 1-acetone and (X) 1-dmso, a second MA insertion of the 2,1-insertion product (X) 2MA-2,1 is faster than β-H elimination and gives (X) 3MA as major products. For the strongly coordinated neutral complexes (X) 1-pyr, no second MA insertion and no β-H elimination (except for (DIPP) 2-pyrMA-2,1 ) were observed for the 2,1-insertion product (X) 2-pyrMA-2,1 . The cationic complexes (X) 1(+) -A exhibited high catalytic activities for ethylene dimerization, affording butenes (C4 ) with a high selectivity of up to 97.7 % (1-butene: 99.3 %). Differences in activities and selectivities suggest that the phosphine-sulfonamide ligands remain coordinated to the metal center in a bidentate fashion in the catalytically active species. By comparison, the neutral complexes (X) 1-acetone, (X) 1-dmso, and (X) 1-pyr showed very low activity towards ethylene to give traces of oligomers. DFT analyses taking into account the two possible coordination modes (O or N) of the sulfonamide ligand for the cationic system (CF3) 1(+) suggested

Apparent molar volumes and apparent molar heat capacities of aqueous tetrahydrofuran, dimethyl sulfoxide, 1,4-dioxane, and 1,2-dimethoxyethane at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa

International Nuclear Information System (INIS)

Swenson, D.M.; Blodgett, M.B.; Ziemer, S.P.; Woolley, E.M.

2008-01-01

We determined apparent molar volumes V φ at 278.15 ≤ (T/K) ≤ 368.15 and apparent molar heat capacities C p,φ at 278.15 ≤ (T/K) ≤ 393.15 at p = 0.35 MPa for aqueous solutions of tetrahydrofuran at m from (0.016 to 2.5) mol . kg -1 , dimethyl sulfoxide at m from (0.02 to 3.0) mol . kg -1 , 1,4-dioxane at m from (0.015 to 2.0) mol . kg -1 , and 1,2-dimethoxyethane at m from (0.01 to 2.0) mol . kg -1 . Values of V φ were determined from densities measured with a vibrating-tube densimeter, and values of C p,φ were determined with a twin fixed-cell, differential, temperature-scanning calorimeter. Empirical functions of m and T for each compound were fitted to our V φ and C p,φ results

Photoinduced charge transfer in a transition metal complex investigated by time-resolved X-ray absorption fine structure spectroscopy. Setup and experiment

International Nuclear Information System (INIS)

Goeries, Dennis

2015-02-01

In the framework of this thesis the development of a time-resolved X-ray absorption spectroscopy experiment and its application to fac-Ir(ppy) 3 is described. Such experiments require a very stable setup in terms of spatial and temporal accuracy. Therefore, the stability properties of the present installation were investigated in detail and continuously improved, in particular the synchronization of the ultrashort pulse laser system to the storage ring as well as the spatial stability of both X-ray and laser beam. Experiments utilizing the laser pump and X-ray probe configuration were applied on the green phosphorescence emitter complex fac-Ir(ppy) 3 dissolved in dimethyl sulfoxide. Structural and electronic changes were triggered by photoexcitation of the metal-to-ligand charge transfer band with ultrashort laser pulses at a wavelength of 343 nm. The excited triplet state spectrum was extracted from the measured pump-probe X-ray absorption spectrum using an ionic approximation. The results con rm the anticipated metal-to-ligand charge transfer as shown by an ionization potential shift of the iridium atom. The symmetry of the complex was found to be pseudo-octahedral. This allowed the first experimental determination of the bond length of fac-Ir(ppy) 3 in an octahedral approximation and revealed a decrease of bond length of the first coordination shell in the triplet state. The first and second-order decay kinetics of the triplet state were investigated in a combination of X-ray and laser based experiments and revealed self-quenching as well as triplet-triplet annihilation rate constants.

Dimethyl sulfoxide in a 10% concentration has no effect on oxidation stress induced by ovalbumin-sensitization in a guinea-pig model of allergic asthma.

Science.gov (United States)

Mikolka, P; Mokra, D; Drgova, A; Petras, M; Mokry, J

2012-04-01

In allergic asthma, activated cells produce various substances including reactive oxygen species (ROS). As heterogenic pathophysiology of asthma results to different response to the therapy, testing novel interventions continues. Because of water-insolubility of some potentially beneficial drugs, dimethyl sulfoxide (DMSO) is often used as a solvent. Based on its antioxidant properties, this study evaluated effects of DMSO on mobilization of leukocytes into the lungs, and oxidation processes induced by ovalbumin (OVA)-sensitization in a guinea-pig model of allergic asthma. Guinea-pigs were divided into OVA-sensitized and naive animals. One group of OVA-sensitized animals and one group of naive animals were pretreated with 10% DMSO, the other two groups were given saline. After sacrificing animals, blood samples were taken and total antioxidant status (TAS) in the plasma was determined. Left lungs were saline-lavaged and differential leukocyte count in bronchoalveolar lavage fluid (BAL) was made. Right lung tissue was homogenized, TAS and products of lipid and protein oxidation were determined in the lung homogenate and in isolated mitochondria. OVA-sensitization increased total number of cells and percentages of eosinophils and neutrophils in BAL fluid; increased lipid and protein oxidation in the lung homogenate and mitochondria, and decreased TAS in the lungs and plasma compared with naive animals. However, no differences were observed in DMSO-instilled animals compared to controls. In conclusion, OVA-sensitization increased mobilization of leukocytes into the lungs and elevated production of ROS, accompanied by decrease in TAS. 10% DMSO had no effect on lipid and protein oxidation in a guinea-pig model of allergic asthma.

Complexation of c6-ceramide with cholesteryl phosphocholine - a potent solvent-free ceramide delivery formulation for cells in culture.

Directory of Open Access Journals (Sweden)

Pramod Sukumaran

Full Text Available Ceramides are potent bioactive molecules in cells. However, they are very hydrophobic molecules, and difficult to deliver efficiently to cells. We have made fluid bilayers from a short-chain D-erythro-ceramide (C6-Cer and cholesteryl phosphocholine (CholPC, and have used this as a formulation to deliver ceramide to cells. C6-Cer complexed with CholPC led to much larger biological effects in cultured cells (rat thyroid FRTL-5 and human HeLa cells in culture compared to C6-Cer dissolved in dimethyl sulfoxide (DMSO. Inhibition of cell proliferation and induction of apoptosis was significantly more efficient by C6-Cer/CholPC compared to C6-Cer dissolved in DMSO. C6-Cer/CholPC also permeated cell membranes and caused mitochondrial Ca(2+ influx more efficiently than C6-Cer in DMSO. Even though CholPC was taken up by cells to some extent (from C6-Cer/CholPC bilayers, and was partially hydrolyzed to free cholesterol (about 9%, none of the antiproliferative effects were due to CholPC or excess cholesterol. The ceramide effect was not limited to D-erythro-C6-Cer, since L-erythro-C6-Cer and D-erythro-C6-dihydroCer also inhibited cell priolifereation and affected Ca(2+ homeostasis. We conclude that C6-Cer complexed to CholPC increased the bioavailability of the short-chain ceramide for cells, and potentiated its effects in comparison to solvent-dissolved C6-Cer. This new ceramide formulation appears to be superior to previous solvent delivery approaches, and may even be useful with longer-chain ceramides.

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium (II) complexes

KAUST Repository

Jian, Zhongbao

2014-12-08

Two series of cationic palladium(II) methyl complexes {[(2-MeOC6H4)2PC6H4SO2NHC6H3(2,6-R1,R2)]PdMe}2[A]2 (X1+-A: R1=R2=H: H1+-A; R1=R2=CH(CH3)2: DIPP1+-A; R1=H, R2=CF3: CF31+-A; A=BF4 or SbF6) and neutral palladium(II) methyl complexes {[(2-MeOC6H4)2PC6H4SO2NC6H3(2,6-R1,R2)]PdMe(L)} (X1-acetone: L=acetone; X1-dmso: L=dimethyl sulfoxide; X1-pyr: L=pyridine) chelated by a phosphine-sulfonamide were synthesized and fully characterized. Stoichiometric insertion of methyl acrylate (MA) into all complexes revealed that a 2,1 regiochemistry dominates in the first insertion of MA. Subsequently, for the cationic complexes X1+-A, β-H elimination from the 2,1-insertion product X2+-AMA-2,1 is overwhelmingly favored over a second MA insertion to yield two major products X4+-AMA-1,2 and X5+-AMA. By contrast, for the weakly coordinated neutral complexes X1-acetone and X1-dmso, a second MA insertion of the 2,1-insertion product X2MA-2,1 is faster than β-H elimination and gives X3MA as major products. For the strongly coordinated neutral complexes X1-pyr, no second MA insertion and no β-H elimination (except for DIPP2-pyrMA-2,1) were observed for the 2,1-insertion product X2-pyrMA-2,1. The cationic complexes X1+-A exhibited high catalytic activities for ethylene dimerization, affording butenes (C4) with a high selectivity of up to 97.7% (1-butene: 99.3%). Differences in activities and selectivities suggest that the phosphine-sulfonamide ligands remain coordinated to the metal center in a bidentate fashion in the catalytically active species. By comparison, the neutral complexes X1-acetone, X1-dmso, and X1-pyr showed very low activity towards ethylene to give traces of oligomers. DFT analyses taking into account the two possible coordination modes (O or N) of the sulfonamide ligand for the cationic system CF31+ suggested that the experimentally observed high activity in ethylene dimerization is the result of a facile first ethylene insertion into the O-coordinated PdMe isomer and

Endophytic fungi as models for the stereoselective biotransformation of thioridazine.

Science.gov (United States)

Borges, Keyller Bastos; Borges, Warley De Souza; Pupo, Mônica Tallarico; Bonato, Pierina Sueli

2007-12-01

The stereoselective kinetic biotransformation of thioridazine, a phenothiazine neuroleptic drug, by endophytic fungi was investigated. In general, the sulfur of lateral chain (position 2) or the sulfur of phenothiazinic ring (position 5) were oxidated yielding the major human metabolites thioridazine-2-sulfoxide and thioridazine-5-sulfoxide. The quantity of metabolites biosynthesized varied among the 12 endophytic fungi evaluated. However, mono-2-sulfoxidation occurred in higher ratio and frequency. Among the 12 fungi evaluated, 4 of them deserve prominence for presenting an evidenced stereoselective biotransformation: Phomopsis sp. (TD2), Glomerella cingulata (VA1), Diaporthe phaseolorum (VR4), and Aspergillus fumigatus (VR12). Both enantiomers of thioridazine were consumed by the fungi; however, the 2-sulfoxidation yielded preferentially the R configuration at the sulfur atom.

Luminescent properties of [UO{sub 2}(TFA){sub 2}(DMSO){sub 3}], a promising material for sensing and monitoring the uranyl ion

Energy Technology Data Exchange (ETDEWEB)

Martin-Ramos, Pablo; Silva, Manuela Ramos; Silva, Pedro S. Pereira da [Centro de Fisica da Universidade de Coimbra (CFisUC), Department of Physics, Universidade de Coimbra (Portugal); Costa, Ana L.; Melo, J. Sergio Seixas de [Centro de Quimica de Coimbra, Department of Chemistry, Universidade de Coimbra (Portugal); Pereira, Laura C.J. [Centro de Ciencias e Tecnologias Nucleares, Instituto Superior Tecnico, Universidade de Lisboa, Bobadela LRS (Portugal); Martin-Gil, Jesus, E-mail: pmr@unizar.es [Advanced Materials Laboratory, Escuela Tecnica Superior de Ingenierias Agrarias, University of Valladolid, Palencia (Spain)

2016-03-15

An uranyl complex [UO{sub 2}(TFA){sub 2}(DMSO){sub 3}] (TFA=deprotonated trifluoroacetic acid; DMSO=dimethyl sulfoxide) has been successfully synthesized by reacting UO{sub 2}(CH{sub 3}COO){sub 2} ·H{sub 2} O with one equivalent of (CF{sub 3} CO){sub 2} O and DMSO. The complex has been characterized by single-crystal X-ray diffraction, X-ray powder diffraction, elemental analysis, FTIR spectroscopy, thermal analysis and absorption and emission spectroscopies. The spectroscopic properties of the material make it suitable for its application in the sensing and monitoring of uranyl in the PUREX process. (author)

Bis(3-acetyl-6-methyl-2-oxo-2H-pyran-4-olatobis(dimethyl sulfoxidenickel(II

Directory of Open Access Journals (Sweden)

Amel Djedouani

2009-10-01

Full Text Available In the title compound, [Ni(C8H7O42{(CH32SO}2], the NiII atom is located on a crystallographic centre of symmetry and has a distorted octahedral coordination geometry of type MO6. The bidentate dehydroacetic acid (DHA ligands occupy the equatorial plane of the complex in a trans configuration, and the dimethyl sulfoxide (DMSO ligands are weakly coordinated through their O atoms in the axial positions.

Dimethyl sulfoxide-caused changes in pro- and anti-angiogenic factor levels could contribute to an anti-angiogenic response in HeLa cells.

Science.gov (United States)

Şimşek, Ece; Aydemir, Esra Arslan; İmir, Nilüfer; Koçak, Orhan; Kuruoğlu, Aykut; Fışkın, Kayahan

2015-10-01

Dimethyl sulfoxide (DMSO) is widely used in biological research as a general solvent. While it has been previously demonstrated that DMSO possesses a wide range of pharmacological effects, there is no published work regarding the effects of DMSO on pro-angiogenic factor levels. This study was designed to investigate the possible effects of DMSO on the levels of three pro-angiogenic factors released from HeLa cells in vitro. Cells were treated with two different and previously determined concentrations of DMSO. The cytotoxic effects of DMSO concentrations on HeLa cells were determined via MTT. Survival rates of DMSO-treated cells were determined by Invitrogen live/dead viability/cytotoxicity kit and trypan blue exclusion assay. Changes in the pro-angiogenic levels in media were evaluated by Cayman's Substance P Enzyme Immunoassay ELISA kit. Vascular endothelial growth factor ELISA kit and interferon gamma ELISA kit for substance P, VEGF and IFNγ respectively. Changes in substance P levels were corrected by standard western blotting. Changes in VEGF and IFNγ levels were corrected both by western blot and real time PCR. Treatment with 1.4 μM DMSO caused a time-dependent inhibition of cell proliferation at 24, 48 and 72 h. 1.4 μM DMSO caused a significant reduction in VEGF levels at 72 h of incubation and sharp increases in IFNγ levels at both 48 and 72 h of incubation. According to real time PCR analyses, DMSO (1.4 μM) exhibited an inhibitory effect on VEGF but acted as an augmenter of IFNγ release on HeLa cells in vitro. This is the first report showing that the general solvent DMSO suppressed HeLa cell proliferation, decreased the levels of two pro-angiogenic factors (substance P and VEGF) and increased the release of an anti-angiogenic factor IFNγ in vitro. Copyright © 2015 Elsevier Ltd. All rights reserved.

A review on the role of nutraceuticals as simple as se(2+) to complex organic molecules such as glycyrrhizin that prevent as well as cure diseases.

Science.gov (United States)

Jose, Regi; Sajitha, G R; Augusti, K T

2014-04-01

Nutraceuticals are nutritional medicines which are present in edible food items. Most of them are antioxidants with various other biological properties viz, anti inflammatory, anti atherogenic, anticancer, anti viral, anti aging properties etc. They are as simple as minerals like Se(2+) to complex organic molecules such as glycyrrhizin (Ca(2+), K(+) salts of glycyrrhizic acid). They can prevent as well as cure various diseases. Most of the medical people are not aware of the importance of the nutraceuticals as such matters are not part of their text books. Many still think that vitamins are the major nutritional medicines. Actually other dietary principles like terpenes, carotenes, phytosterols, polyphenols, flavanoids, di and poly sulphides, their sulfoxides and their precursor amino acids are necessary to scavenge free radicals in the body which are reactive oxygen species to protect and maintain the vitamin levels in the body. They down regulate the activities of those enzymes which are increased in diseases and they increase those that remove oxidants and detoxify carcinogens. They are immune boosters too. Recently glucosinolates, non toxic alkaloids, certain proteins and even fiber are included in the list of nutraceuticals.

The participation of human hepatic P450 isoforms, flavin-containing monooxygenases and aldehyde oxidase in the biotransformation of the insecticide fenthion

International Nuclear Information System (INIS)

Leoni, Claudia; Buratti, Franca M.; Testai, Emanuela

2008-01-01

Although fenthion (FEN) is widely used as a broad spectrum insecticide on various crops in many countries, very scant data are available on its biotransformation in humans. In this study the in vitro human hepatic FEN biotransformation was characterized, identifying the relative contributions of cytochrome P450 (CYPs) and/or flavin-containing monooxygenase (FMOs) by using single c-DNA expressed human enzymes, human liver microsomes and cytosol and CYP/FMO-specific inhibitors. Two major metabolites, FEN-sulfoxide and FEN-oxon (FOX), are formed by some CYPs although at very different levels, depending on the relative CYP hepatic content. Formation of further oxidation products and the reduction of FEN-sulfoxide back to FEN by the cytosolic aldehyde oxidase enzyme were ruled out. Comparing intrinsic clearance values, FOX formation seemed to be favored and at low FEN concentrations CYP2B6 and 1A2 are mainly involved in its formation. At higher levels, a more widespread CYP involvement was evident, as in the case of FEN-sulfoxide, although a higher efficiency of CYP2C family was suggested. Hepatic FMOs were able to catalyze only sulfoxide formation, but at low FEN concentrations hepatic FEN sulfoxidation is predominantly P450-driven. Indeed, the contribution of the hepatic isoforms FMO 3 and FMO 5 was generally negligible, although at high FEN concentrations FMO's showed activities comparable to the active CYPs, accounting for up to 30% of total sulfoxidation. Recombinant FMO 1 showed the highest efficiency with respect to CYPs and the other FMOs, but it is not expressed in the adult human liver. This suggests that FMO 1 -catalysed sulfoxidation may represent the major extra-hepatic pathway of FEN biotransformation

Transport of anthelmintic benzimidazole drugs by breast cancer resistance protein (BCRP/ABCG2)

NARCIS (Netherlands)

Merino, G; Jonker, JW; Wagenaar, E; Pulido, MM; Molina, AJ; Alvarez, AI; Schinkel, AH

Methylcarbamate benzimidazoles [albendazole (ABZ), fenbendazole (FBZ), and their respective sulfoxide derivatives, albendazole sulfoxide (ABZSO) and oxfendazole (OXF)] are therapeutically important anthelmintic agents with low bioavailability. We studied their in vitro interaction with the apical

A simple assay for the simultaneous determination of human plasma albendazole and albendazole sulfoxide levels by high performance liquid chromatography in tandem mass spectrometry with solid-phase extraction.

Science.gov (United States)

Wojnicz, Aneta; Cabaleiro-Ocampo, Teresa; Román-Martínez, Manuel; Ochoa-Mazarro, Dolores; Abad-Santos, Francisco; Ruiz-Nuño, Ana

2013-11-15

A simple, reproducible and fast (4 min chromatogram) method of liquid chromatography in tandem with mass spectrometry (LC/MS-MS) was developed to determine simultaneously the plasma levels of albendazole (ABZ) and its metabolite albendazole sulfoxide (ABZOX) for pharmacokinetic and clinical analysis. Each plasma sample was extracted by solid phase extraction (SPE) using phenacetin as internal standard (IS). The extracted sample was eluted with a Zorbax XDB-CN column using an isocratic method. The mobile phase consisting of water with 1% acetic acid (40%, A) and MeOH (60%, B), was used at a flow rate of 1 mL/min. ABZ and ABZOX were detected and identified by mass spectrometry with electrospray ionization (ESI) in the positive ion and multiple-reaction monitoring (MRM) mode. The method was linear in the range of 5-1000 ng/mL for ABZ and 10-1500 ng/mL (full validation) or 10-5000 ng/mL (partial validation) for ABZOX, with 5 and 10 ng/mL lower limit of quantification (LLOQ) for ABZ and ABZOX, respectively. The tests of accuracy and precision, matrix effect, extraction recovery and stability of the samples for both ABZ and ABZOX did not deviate more than 20% for the LLOQ and no more than 15% for other quality controls (QCs), according to regulatory agencies. © 2013.

Determination of sulfur compounds in hydrotreated transformer base oil by potentiometric titration.

Science.gov (United States)

Chao, Qiu; Sheng, Han; Cheng, Xingguo; Ren, Tianhui

2005-06-01

A method was developed to analyze the distribution of sulfur compounds in model sulfur compounds by potentiometric titration, and applied to analyze hydrotreated transformer base oil. Model thioethers were oxidized to corresponding sulfoxides by tetrabutylammonium periodate and sodium metaperiodate, respectively, and the sulfoxides were titrated by perchloric acid titrant in acetic anhydride. The contents of aliphatic thioethers and total thioethers were then determined from that of sulfoxides in solution. The method was applied to determine the organic sulfur compounds in hydrotreated transformer base oil.

EPR-study of reversible oxygenation process of coordination compounds of cobalt(II) with S-substituted N1,N4-di(salicylidene)-isothiosemicarbazides

International Nuclear Information System (INIS)

Gerbeleu, N.V.; Revenko, M.D.; Rusu, V.G.; Shames, A.T.

1987-01-01

The reaction between molecular oxygen and coordination compounds of cobalt(II) with S-substituted N 1 ,N 4 -di(salicylidene)isothiosemicarbazides in dimethyl sulfoxide solution was studied by the EPR method. It was found that paramagnetic monomeric adducts and diamagnetic μ-peroxo-dimers are formed. The spin-Hamiltonian parameters of the EPR spectra of the initial cobalt complexes, as well as of the paramagnetic adducts were determined. The nature of the Co-O 2 bond is discussed

A Novel Compound Analgesic Cream (Ketamine, Pentoxifylline, Clonidine, DMSO) for Complex Regional Pain Syndrome Patients.

Science.gov (United States)

Russo, Marc A; Santarelli, Danielle M

2016-01-01

Evidence suggests that complex regional pain syndrome (CRPS) is a manifestation of microvascular dysfunction. Topical combinations of α2-adrenergic receptor agonists or nitric oxide donors with phosphodiesterase or phosphatidic acid inhibitors formulated to treat microvascular dysfunction have been shown to reduce allodynia in a rat model of CRPS-I. Driven by these findings, we assessed the outcomes of CRPS patients treated with a compound analgesic cream (CAC) consisting of ketamine 10%, pentoxifylline 6%, clonidine 0.2%, and dimethyl sulfoxide 6% to 10%. An audit was conducted on 13 CRPS patients who trialed the CAC. A detailed report was compiled for each patient which comprised baseline characteristics, including CRPS description, previous treatments, and pain scores (numerical pain rating scale; 0 to 10). Recorded outcomes consisted of pain scores, descriptive outcomes, and concurrent medications/treatments, for which basic analysis was performed to determine the effectiveness of the CAC. Case reports are presented for 3 patients with varying outcomes. Nine patients (69%) reported pain/symptom reduction (4.4 ± 2.1 vs. 6.3 ± 1.9) with use of the CAC. Six patients reported sustained benefits after 2 months of CAC use, and 2 patients reported complete resolution of pain/symptoms: one had early CRPS-I and the other received a partial CRPS diagnosis. An otherwise medication refractory and intolerant patient found partial benefit with the CAC. These results demonstrate promise for this topical combination as a useful treatment in multimodal therapy for patients with CRPS, with the potential to resolve pain/symptoms in early CRPS patients. © 2015 World Institute of Pain.

A Polyoxoniobate-Polyoxovanadate Double-Anion Catalyst for Simultaneous Oxidative and Hydrolytic Decontamination of Chemical Warfare Agent Simulants.

Science.gov (United States)

Dong, Jing; Hu, Jufang; Chi, Yingnan; Lin, Zhengguo; Zou, Bo; Yang, Song; Hill, Craig L; Hu, Changwen

2017-04-10

A novel double-anion complex, H 13 [(CH 3 ) 4 N] 12 [PNb 12 O 40 (V V O) 2 ⋅(V IV 4 O 12 ) 2 ]⋅22 H 2 O (1), based on bicapped polyoxoniobate and tetranuclear polyoxovanadate was synthesized, characterized by routine techniques and used in the catalytic decontamination of chemical warfare agents. Under mild conditions, 1 catalyzes both hydrolysis of the nerve agent simulant, diethyl cyanophosphonate (DECP) and selective oxidation of the sulfur mustard simulant, 2-chloroethyl ethyl sulfide (CEES). In the oxidative decontamination system 100 % CEES was transformed selectively to nontoxic 2-chloroethyl ethyl sulfoxide and vinyl ethyl sulfoxide using nearly stoichiometric 3 % aqueous H 2 O 2 with a turnover frequency (TOF) of 16 000 h -1 . Importantly, the catalytic activity is maintained even after ten recycles and CEES is completely decontaminated in 3 mins without formation of the highly toxic sulfone by-product. A three-step oxidative mechanism is proposed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

QTAIM studies of [Li(DMSO){sub n}]{sup +} and [Al(DMSO){sub n}]{sup 3+}

Energy Technology Data Exchange (ETDEWEB)

Breza, Martin, E-mail: martin.breza@stuba.sk [Department Physical Chemistry, Slovak Technical University, Radlinskeho 9, SK-81237 Bratislava (Slovakia)

2015-12-07

Geometry optimization of [Li(DMSO){sub n}]{sup +} and [Al(DMSO){sub n}]{sup 3+} complexes with n = 1 - 6 in DMSO (dimethyl sulfoxide, (CH{sub 3}){sub 2}SO) solutions is performed using DFT treatment with B3LYP hybrid functional and cc-pVDZ basis sets. Solvent effects are approximated within Integral Equation Formalism Polarisable Continuum Model. Electron structure of individual model systems is investigated in terms of Quantum Theory of Atoms-in-Molecule topological analysis of electron density. Metal-DMSO bonding through oxygen atom is preferred. The most probable coordination numbers n = 4 for Li{sup +} and n = 6 for Al{sup 3+} complexes with DMSO are concluded.

EPR-study of reversible oxygenation process of coordination compounds of cobalt(II) with S-substituted N/sup 1/,N/sup 4/-di(salicylidene)-isothiosemicarbazides

Energy Technology Data Exchange (ETDEWEB)

Gerbeleu, N.V.; Revenko, M.D.; Rusu, V.G.; Shames, A.T.

1987-09-01

The reaction between molecular oxygen and coordination compounds of cobalt(II) with S-substituted N/sup 1/,N/sup 4/-di(salicylidene)isothiosemicarbazides in dimethyl sulfoxide solution was studied by the EPR method. It was found that paramagnetic monomeric adducts and diamagnetic ..mu..-peroxo-dimers are formed. The spin-Hamiltonian parameters of the EPR spectra of the initial cobalt complexes, as well as of the paramagnetic adducts were determined. The nature of the Co-O/sub 2/ bond is discussed.

21 CFR 178.3770 - Polyhydric alcohol esters of oxidatively refined (Gersthofen process) montan wax acids.

Science.gov (United States)

2010-04-01

... evaporated. Vacuum distillation assembly. All glass (for purification of dimethyl sulfoxide) 2-liter.... The first 100 milliliters of eluate are used. Purification can also be accomplished by distillation.... Protect the sulfoxide from air and moisture during this operation by covering the solvent in the funnel...

Enzymatic studies on the metabolism of the tetrahydrofurfuryl mercaptan moiety of thiamine tetrahydrofurfuryl disulfide, 2

International Nuclear Information System (INIS)

Fujita, Takeshi; Suzuoki, Ziro; Kozuka, Seizi; Oae, Shigeru.

1973-01-01

The second step in the enzymatic process responsible for the novel metabolic pathway of foreign mercaptans leading to methylsulfonyl metabolites was shown to be sulfoxidation, subsequent to S-methylation. By using [ 35 S] methyl tetrahydrofurfuryl sulfide (MTFS) and [ 35 S] methyl tetrahydrofurfuryl sulfoxide (MTFSO) as substrates, the occurrence and involvement of both sulfide and sulfoxide oxygenases were demonstrated in rat liver microsomes. Both activities required reduced nicotinamide adenine dinucleotide phosphate (NADPH) and O 2 . The reaction products were isolated and identified as MTFSO and its sulfone, respectively. The apparent Michaelis constants were 6.7x10 -4 M for MTFS and 9.1x10 -15 M for NADPH with sulfide oxygenase and 5.6x10 -3 M for MTFSO and 5.0x10 -5 M for NADPH with sulfoxide oxygenase, respectively. P-chloromercuribenzoate, P-chloromercuribenzenesulfonate, HgCl 2 , and menadione strongly inhibited both oxygenases. Polyanions, such as inorganic phosphate, pyrophosphate, sulfate, and ATP stimulated both enzyme activities, especially that of sulfoxide oxygenase. One atom of 18 O 2 was incorporated into the products in both enzyme reactions. No appreciable incorporation was observed from H 2 18 O. These results indicate that both enzyme systems are typical monooxygenases. (auth.)

Communication complexity and information complexity

Science.gov (United States)

Pankratov, Denis

Information complexity enables the use of information-theoretic tools in communication complexity theory. Prior to the results presented in this thesis, information complexity was mainly used for proving lower bounds and direct-sum theorems in the setting of communication complexity. We present three results that demonstrate new connections between information complexity and communication complexity. In the first contribution we thoroughly study the information complexity of the smallest nontrivial two-party function: the AND function. While computing the communication complexity of AND is trivial, computing its exact information complexity presents a major technical challenge. In overcoming this challenge, we reveal that information complexity gives rise to rich geometrical structures. Our analysis of information complexity relies on new analytic techniques and new characterizations of communication protocols. We also uncover a connection of information complexity to the theory of elliptic partial differential equations. Once we compute the exact information complexity of AND, we can compute exact communication complexity of several related functions on n-bit inputs with some additional technical work. Previous combinatorial and algebraic techniques could only prove bounds of the form theta( n). Interestingly, this level of precision is typical in the area of information theory, so our result demonstrates that this meta-property of precise bounds carries over to information complexity and in certain cases even to communication complexity. Our result does not only strengthen the lower bound on communication complexity of disjointness by making it more exact, but it also shows that information complexity provides the exact upper bound on communication complexity. In fact, this result is more general and applies to a whole class of communication problems. In the second contribution, we use self-reduction methods to prove strong lower bounds on the information

Mannosazide Methyl Uronate Donors. Glycosylating Properties and Use in the Construction of beta-ManNAcA-Containing Oligosaccharides

NARCIS (Netherlands)

Walvoort, Marthe T. C.; Lodder, Gerrit; Overkleeft, Herman S.; Codee, Jeroen D. C.; van der Marel, Gijsbert A.

2010-01-01

Mannosazide methyl uronate donors equipped with a variety of anomeric leaving groups (beta- and a-S-phenyl, beta- and alpha-N-phenyltrifluoroacetimidates, hydroxyl, P-sulfoxide, and (R-s)- and (S-s)-alpha-sulfoxides) were subjected to activating conditions, and the results were monitored by H-1 NMR.

Hypersalinity Acclimation Increases the Toxicity of the Insecticide Phorate in Coho Salmon (Oncorhynchus kisutch)

Science.gov (United States)

Lavado, Ramon; Maryoung, Lindley A.; Schlenk, Daniel

2012-01-01

Previous studies in euryhaline fish have shown that acclimation to hypersaline environments enhances the toxicity of thioether organophosphate and carbamate pesticides. To better understand the potential mechanism of enhanced toxicity, the effects of the organophosphate insecticide phorate were evaluated in coho salmon (Oncorhynchus kisutch) maintained in freshwater (salinity-dependent manner. In contrast, formation of phorate-oxon (gill; olfactory tissues), phorate sulfone (liver), and phorate-oxon sulfoxide (liver; olfactory tissues) was significantly enhanced in fish acclimated to higher salinities. From previous studies, it was expected that phorate and phorate sulfoxide would be less potent AChE inhibitors than phorate-oxon, with phorate-oxon sulfoxide being the most potent of the compounds tested. This trend was confirmed in this study. In summary, these results suggest that differential expression and/or catalytic activities of Phase I enzymes may be involved to enhance phorate oxidative metabolism and subsequent toxicity of phorate to coho salmon under hypersaline conditions. The outcome may be enhanced fish susceptibility to anticholineterase oxon sulfoxides. PMID:21488666

Rate and Selectivity Control in Thioether and Alkene Oxidation with H ₂ O ₂ over Phosphonate-Modified Niobium(V)-Silica Catalysts

Energy Technology Data Exchange (ETDEWEB)

Thornburg, Nicholas E.; Notestein, Justin M. (NWU)

2017-09-05

Supported metal oxide catalysts are versatile materials for liquid-phase oxidations, including alkene epoxidation and thioether sulfoxidation with H2O2. Periodic trends in H2O2 activation was recently demonstrated for alkene epoxidation, highlighting Nb-SiO2 as a more active and selective catalyst than Ti-SiO2. Three representative catalysts are studied consisting of NbV, TiIV, and ZrIV on silica, each made through a molecular precursor approach that yields highly dispersed oxide sites, for thioanisole oxidation by H2O2. Initial rates trend Nb>Ti>>Zr, as for epoxidation, and Nb outperforms Ti for a number of other thioethers. In contrast, selectivity to sulfoxide vs. sulfone trends Ti>Nb>>Zr at all conversions. Modifying the Nb-SiO2 catalyst with phenylphosphonic acid does not completely remove sulfoxidation reactivity, as it did for photooxidation and epoxidation, and results in an unusual material active for sulfoxidation but neither epoxidation nor overoxidation to the sulfone.

Synthesis and oxidation of some azole-containing thioethers

Directory of Open Access Journals (Sweden)

Andrei S. Potapov

2011-11-01

Full Text Available Pyrazole and benzotriazole-containing thioethers, namely 1,5-bis(3,5-dimethylpyrazol-1-yl-3-thiapentane, 1,8-bis(3,5-dimethylpyrazol-1-yl-3,6-dithiaoctane and 1,3-bis(1,2,3-benzotriazol-1-yl-2-thiapropane were prepared and fully characterized. Oxidation of the pyrazole-containing thioether by hydrogen peroxide proceeds selectively to provide a sulfoxide or sulfone, depending on the amount of oxidant used. Oxidation of the benzotriazole derivative by hydrogen peroxide is not selective, and sulfoxide and sulfone form concurrently. Selenium dioxide-catalyzed oxidation of benzotriazole thioether by H2O2, however, proceeds selectively and yields sulfoxide only.

Development of new extraction agents for separation of rare radioactive elements

International Nuclear Information System (INIS)

Hala, J.; Navratil, O.; Prihoda, J.; Smola, J.

1977-01-01

Certain transition elements, such as rhodium and palladium may be recovered from waste solutions produced in spent fuel reprocessing. The extraction of palladium was studied using sulfur compounds of the sulfide and sulfoxide types and the effects were investigated of the individual factors on palladium distribution between the aqueous and the organic phases. The possibility of separating hafnium in the form of extractable complexes was tested on several systems. Studied in more detail were mainly the complexes of hafnium with pyrocatechol violet, xylenol orange, and tributyl phosphate. The extraction of other metals, mainly of scandium, europium and indium was investigated in detail in the system acid aqueous phase - organophosphinic acids solution in benzene. (L.K.)

NEW BIOTECHNOLOGICAL METHODS FOR CRYOPRESERVATION OF REPRODUCTIVE CELLS OF STURGEON

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E. N. Ponomareva

2016-01-01

Full Text Available The aim of the research is to increase the survivability of reproductive cells of sturgeon at cryopreservation and developing reliable technology suitable for use on an industrial scale.Methods. We have used standard methods of freezing, thawing reproductive cells, fertilization and incubation of eggs and larval rearing of sturgeon. Fundamentally new is cryoprotective composition: for sperm we have adjusted the composition of cryoprotective medium (for beluga 3% of dimethyl sulfoxide, for Russian sturgeon 4% of dimethyl sulfoxide; for freezing the eggs we have used cryoprotective mixture of unrefined vegetable and animal oils.Results. Survivability of defrosted sperm sturgeon has been increased: for Beluga it is up to 20%, for Russian sturgeon - 47%. At insemination of cryopreserved eggs of Russian sturgeon with native sperm the fertilization rate has made 41%.Main conclusions. The research proves the effectiveness of reducing the toxic effect of cryoprotective substances, thus leading to increased survivability of reproductive cells of sturgeon. During the insemination of eggs, stored in liquid nitrogen, the resulting offspring were viable and by the reactivity of the central nervous system and receptor complex it does not differ from the young obtained by conventional technology.

Cloning, expression and characterisation of P450-Hal1 (CYP116B62) from Halomonas sp. NCIMB 172: A self-sufficient P450 with high expression and diverse substrate scope.

Science.gov (United States)

Porter, Joanne L; Sabatini, Selina; Manning, Jack; Tavanti, Michele; Galman, James L; Turner, Nicholas J; Flitsch, Sabine L

2018-06-01

Cytochrome P450 monooxygenases are able to catalyse a range of synthetically challenging reactions ranging from hydroxylation and demethylation to sulfoxidation and epoxidation. As such they have great potential for biocatalytic applications but are underutilised due to often-poor expression, stability and solubility in recombinant bacterial hosts. The use of self-sufficient P450 s with fused haem and reductase domains has already contributed heavily to improving catalytic efficiency and simplifying an otherwise more complex multi-component system of P450 and redox partners. Herein, we present a new addition to the class VII family with the cloning, sequencing and characterisation of the self-sufficient CYP116B62 Hal1 from Halomonas sp. NCIMB 172, the genome of which has not yet been sequenced. Hal1 exhibits high levels of expression in a recombinant E. coli host and can be utilised from cell lysate or used in purified form. Hal1 favours NADPH as electron donor and displays a diverse range of activities including hydroxylation, demethylation and sulfoxidation. These properties make Hal1 suitable for future biocatalytic applications or as a template for optimisation through engineering. Copyright © 2018 Elsevier Inc. All rights reserved.

Oral Administration of (S)-Allyl-l-Cysteine and Aged Garlic Extract to Rats: Determination of Metabolites and Their Pharmacokinetics.

Science.gov (United States)

Park, Taehoon; Oh, Ju-Hee; Lee, Joo Hyun; Park, Sang Cheol; Jang, Young Pyo; Lee, Young-Joo

2017-11-01

( S )-Allyl-l-cysteine is the major bioactive compound in garlic. ( S )-Allyl-l-cysteine is metabolized to ( S )-allyl-l-cysteine sulfoxide, N -acetyl-( S )-allyl-l-cysteine, and N -acetyl-( S )-allyl-l-cysteine sulfoxide after oral administration. An accurate LC-MS/MS method was developed and validated for the simultaneous quantification of ( S )-allyl-l-cysteine and its metabolites in rat plasma, and the feasibility of using it in pharmacokinetic studies was tested. The analytes were quantified by multiple reaction monitoring using an atmospheric pressure ionization mass spectrometer. Because significant quantitative interference was observed between ( S )-allyl-l-cysteine and N -acetyl-( S )-allyl-l-cysteine as a result of the decomposition of N -acetyl-( S )-allyl-l-cysteine at the detector source, chromatographic separation was required to discriminate ( S )-allyl-l-cysteine and its metabolites on a reversed-phase C 18 analytical column with a gradient mobile phase consisting of 0.1% formic acid and acetonitrile. The calibration curves of ( S )-allyl-l-cysteine, ( S )-allyl-l-cysteine sulfoxide, N -acetyl-( S )-allyl-l-cysteine, and N -acetyl-( S )-allyl-l-cysteine sulfoxide were linear over each concentration range, and the lower limits of quantification were 0.1 µg/mL [( S )-allyl-l-cysteine and N -acetyl-( S )-allyl-l-cysteine] and 0.25 µg/mL [( S )-allyl-l-cysteine sulfoxide and N -acetyl-( S )-allyl-l-cysteine sulfoxide]. Acceptable intraday and inter-day precisions and accuracies were obtained at three concentration levels. The method satisfied the regulatory requirements for matrix effects, recovery, and stability. The validated LC-MS/MS method was successfully used to determine the concentration of ( S )-allyl-l-cysteine and its metabolites in rat plasma samples after the administration of ( S )-allyl-l-cysteine or aged garlic extract. Georg Thieme Verlag KG Stuttgart · New York.

Bisamidate and Mixed Amine/Amidate NiN2S2 Complexes as Models for Nickel-Containing Acetyl Coenzyme A Synthase and Superoxide Dismutase: An Experimental and Computational Study

International Nuclear Information System (INIS)

Mathrubootham, V.; Thomas, J.; Staples, R.; McCraken, J.; Shearer, J.; Hegg, E.

2010-01-01

The distal nickel site of acetyl-CoA synthase (Ni d -ACS) and reduced nickel superoxide dismutase (Ni-SOD) display similar square-planar Ni II N 2 S 2 coordination environments. One difference between these two sites, however, is that the nickel ion in Ni-SOD contains a mixed amine/amidate coordination motif while the Ni d site in Ni-ACS contains a bisamidate coordination motif. To provide insight into the consequences of the different coordination environments on the properties of the Ni ions, we systematically examined two square-planar Ni II N 2 S 2 complexes, one with bisthiolate-bisamidate ligation (Et 4 N) 2 (Ni(L1))·2H 2 O (2) (H 4 L1 = N-(2-mercaptoacetyl)-N(prime)-(2-mercaptoethyl)glycinamide) and another with bisthiolate-amine/amidate ligation K(Ni(HL2)) (3) (H 4 L2 = N-(2(double p rime)-mercaptoethyl)-2- ((2(prime)-mercaptoethyl)amino)acetamide). Although these two complexes differ only by a single amine versus amidate ligand, their chemical properties are quite different. The stronger in-plane ligand field in the bisamidate complex (Ni II (L1)) 2- (2) results in an increase in the energies of the d → d transitions and a considerably more negative oxidation potential. Furthermore, while the bisamidate complex (Ni II (L1)) 2- (2) readily forms a trinuclear species (Et 4 N) 2 ({Ni(L1)} 2 Ni)·H 2 O (1) and reacts rapidly with O 2 , presumably via sulfoxidation, the mixed amine/amidate complex (Ni II (HL2)) - (3) remains monomeric and is stable for days in air. Interestingly, the Ni III species of the bisamidate complex formed by chemical oxidation with I 2 can be detected by electron paramagnetic resonance (EPR) spectroscopy while the mixed amine/amidate complex immediately decomposes upon oxidation. To explain these experimentally observed properties, we performed S K-edge X-ray absorption spectroscopy and low-temperature (77 K) electronic absorption measurements as well as both hybrid density functional theory (hybrid-DFT) and spectroscopy oriented

Optimization of the etch-and-rinse technique: New perspectives to improve resin-dentin bonding and hybrid layer integrity by reducing residual water using dimethyl sulfoxide pretreatments.

Science.gov (United States)

Stape, Thiago Henrique Scarabello; Tjäderhane, Leo; Abuna, Gabriel; Sinhoreti, Mário Alexandre Coelho; Martins, Luís Roberto Marcondes; Tezvergil-Mutluay, Arzu

2018-04-13

To determine whether bonding effectiveness and hybrid layer integrity on acid-etched dehydrated dentin would be comparable to the conventional wet-bonding technique through new dentin biomodification approaches using dimethyl sulfoxide (DMSO). Etched dentin surfaces from extracted sound molars were randomly bonded in wet or dry conditions (30s air drying) with DMSO/ethanol or DMSO/H 2 O as pretreatments using a simplified (Scotchbond Universal Adhesive, 3M ESPE: SU) and a multi-step (Adper Scotchbond Multi-Purpose, 3M ESPE: SBMP) etch-and-rinse adhesives. Untreated dentin surfaces served as control. Bonded teeth (n=8) were stored in distilled water for 24h and sectioned into resin-dentin beams (0.8mm 2 ) for microtensile bond strength test and quantitative interfacial nanoleakage analysis (n=8) under SEM. Additional teeth (n=2) were prepared for micropermeability assessment by CFLSM under simulated pulpar pressure (20cm H 2 O) using 5mM fluorescein as a tracer. Microtensile data was analyzed by 3-way ANOVA followed by Tukey Test and nanoleakage by Kruskal-Wallis and Dunn-Bonferroni multiple comparison test (α=0.05). While dry-bonding of SBMP produced significantly lower bond strengths than wet-bonding (padhesives to demineralized air-dried dentin beyond conventional wet-bonding. Less porous resin-dentin interfaces with higher bond strengths on air-dried etched dentin were achieved; nonetheless, overall efficiency varied according to DMSO's co-solvent and adhesive type. DMSO pretreatments permit etched dentin to be air-dried before hybridization facilitating residual water removal and thus improving bonding effectiveness. This challenges the current paradigm of wet-bonding requirement for the etch-and-rinse approach creating new possibilities to enhance the clinical longevity of resin-dentin interfaces. Copyright © 2018 The Academy of Dental Materials. Published by Elsevier Inc. All rights reserved.

Characterization and antioxidant activity of bovine serum albumin and sulforaphane complex in different solvent systems

Energy Technology Data Exchange (ETDEWEB)

Dong, Xueyan; Zhou, Rui; Jing, Hao, E-mail: h200521@cau.edu.cn

2014-02-15

Modes and influencing factors of bovine serum albumin (BSA) and sulforaphane (SFN) interaction will help us understand the interaction mechanisms and functional changes of bioactive small molecule and biomacromolecule. This study investigated interaction mechanisms of BSA and SFN and associated antioxidant activity in three solvent systems of deionized water (dH{sub 2}O), dimethyl sulfoxide (DMSO) and ethanol (EtOH), using Fourier transform infrared spectroscopy (FT-IR), fluorescence spectroscopy, synchronous fluorescence spectroscopy, DPPH and ABTS radical scavenging assays. The results revealed that SFN had ability to quench BSA's fluorescence in static modes, and to interact with BSA at both tyrosine (Tyr) and tryptophan (Trp) residues, while the Trp residues were highly sensitive, which was demonstrated by fluorescence at 340 nm. Hydrophobic forces, hydrogen bonds and van der Waals interactions were all involved in BSA and SFN interaction, which were not significantly changed by three solvents. The binding constant values and binding site numbers were in a descending order of dH{sub 2}O>DMSO>EtOH. The values of free energy change were in a descending order of dH{sub 2}O>DMSO>EtOH, which indicated that the binding forces were in a descending order of dH{sub 2}O>DMSO>EtOH. There was no significant difference in antioxidant activity between SFN and BSA–SFN. Moreover, three solvents had not significant influence on antioxidant activity of SFN and BSA–SFN. -- Highlights: • We report interaction mechanisms of BSA and sulforaphane in three solvent systems. • We report antioxidant activity of BSA–sulforaphane complex in three solvent systems. • Decreasing the solvent polarity will decrease the binding of BSA and sulforaphane. • Three solvents had not influence on antioxidant activity of BSA–sulforaphane.

A synthesis of 1,4-thiazine carboxanilide: neighboring group participation in pummerer reaction

International Nuclear Information System (INIS)

Hahn, Hoh Gyu; Nam, Kee Dal; Mah, He Duck

2002-01-01

For the purpose of development of new agrochemical fungicide of α,β-unsaturated carboxanilide series a synthesis of 4-acetyl-3-methyl-N-phenyl-1,4-thiazine-2-carboxamide (6) is described. Pummerer reaction of sulfoxide 7 obtained by sulfoxidation of dihydro-1,4-thiazine methyl ester 11 gave α-acetoxy dihydro-1,4-thiazine 10a. Under the same reaction conditions, dihydro-1,4-thiazine carboxanilide sulfoxide 14 was converted to acetoxymethyl dihydro-1,4-thiazine 18 through vinylogous Pummerer reaction involving carboxanilide of sulfonium ion through intermediate 15. 1,4-Thiazine carboxanilide 6 was synthesized from the treatment of α-acetoxy dihydro-1,4-thiazine 10a with acid catalyst followed by hydrolysis and then the reaction with aniline

Diagnosis and Management of Trichothecene in the Swine Model

Science.gov (United States)

1988-09-01

dazemgrel, N- acetylcysteine , dimethyl sulfoxide, adenosi.le triphosphate (ATP), ATP combined with magnesium chloride (ATP-MgCll), ascorbic acid, and...did not prolong survival times at the dosages employed. These included diltiazem hydrochloride, dazemgrel, N- acetylcysteine , dimethyl sulfoxide...rats given a lathal dose of T-2 toxin. Myocardial depress -nt factor (MOF) may play an important role in the pathophyslology of circulatory shock (Lefer

In Vitro and In Vivo Drug Interaction Study of Two Lead Combinations, Oxantel Pamoate plus Albendazole and Albendazole plus Mebendazole, for the Treatment of Soil-Transmitted Helminthiasis.

Science.gov (United States)

Cowan, Noemi; Vargas, Mireille; Keiser, Jennifer

2016-10-01

The current treatments against Trichuris trichiura, albendazole and mebendazole, are only poorly efficacious. Therefore, combination chemotherapy was recommended for treating soil-transmitted helminthiasis. Albendazole-mebendazole and albendazole-oxantel pamoate have shown promising results in clinical trials. However, in vitro and in vivo drug interaction studies should be performed before their simultaneous treatment can be recommended. Inhibition of human recombinant cytochromes P450 (CYPs) CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4 was tested by exposure to albendazole, albendazole sulfoxide, mebendazole, and oxantel pamoate, as well as albendazole-mebendazole, albendazole sulfoxide-mebendazole, albendazole-oxantel pamoate, and albendazole sulfoxide-oxantel pamoate. A high-pressure liquid chromatography (HPLC)-UV/visible spectroscopy method was developed and validated for simultaneous quantification of albendazole sulfoxide, albendazole sulfone, mebendazole, and oxantel pamoate in plasma. Albendazole, mebendazole, oxantel pamoate, albendazole-mebendazole, and albendazole-oxantel pamoate were orally applied to rats (100 mg/kg) and pharmacokinetic parameters calculated. CYP1A2 showed a 2.6-fold increased inhibition by albendazole-oxantel pamoate (50% inhibitory concentration [IC50] = 3.1 μM) and a 3.9-fold increased inhibition by albendazole sulfoxide-mebendazole (IC50 = 3.8 μM) compared to the single drugs. In rats, mebendazole's area under the concentration-time curve (AUC) and maximal plasma concentration (Cmax) were augmented 3.5- and 2.8-fold, respectively (P = 0.02 for both) when coadministered with albendazole compared to mebendazole alone. Albendazole sulfone was slightly affected by albendazole-mebendazole, displaying a 1.3-fold-elevated AUC compared to albendazole alone. Oxantel pamoate could not be quantified, translating to a bioavailability below 0.025% in rats. Elevated plasma levels of albendazole sulfoxide, albendazole sulfone, and mebendazole

Crystal structure of μ-oxalodihydroxamato-bis[(2,2′-bipyridyl(dimethyl sulfoxide-κOcopper(II] bis(perchlorate

Directory of Open Access Journals (Sweden)

Irina A. Odarich

2016-02-01

Full Text Available The centrosymmetric binuclear complex, [Cu2(C2H2N2O4(C10H8N22(C2H6OS2](ClO42, contains two copper(II ions, connected through an N-deprotonated oxalodihydroxamic acid dianion, two terminal 2,2′-bipyridine ligands, and two apically coordinating dimethylsulfoxide molecules. Two non-coordinating perchlorate anions assure electrical neutrality. The copper(II ions in the complex dication [Cu2(C10H8N22(μ-C2H2N2O4(C2H6SO2]2+ are in an O2N3 square-pyramidal donor environment, the Cu–Cu separation being 5.2949 (4 Å. Two hydroxamate groups in the deprotonated oxalodihydroxamic acid are located trans to one each other. In the crystal, O—H...O and C—H...O hydrogen bonds link the complex cations to the perchlorate anions. Further C—H...O hydrogen bonds combine with π–π contacts with a centroid-to-centroid separation of 3.6371 (12 Å to stack the molecules along the a-axis direction.

A PPy-B15C5 modified lanthanum (III electrode in acetonitrile and its thermodynamic application

Directory of Open Access Journals (Sweden)

Mohammad Hossein Arbab Zavar

2017-02-01

Full Text Available Polypyrrole modified electrode prepared by electropolymerization of pyrrole in the presence of a complexing ligand, benzo-15-crown-5 (B15C5, was prepared and investigated as a La3+-selective electrode in acetonitrile. The potentiometric response of the electrode was linear within the La3+ concentration range 1 × 10−4 to 1 × 10−1 M with a Nernstian slope of 19.5 mV decade−1 in AN. The electrode was applied to study the complexation of the lanthanum (III ion in acetonitrile with other basic solvent molecules (D such as dimethyl sulfoxide, N,N-dimethylformamide, propylene carbonate, N,N,Diethylaniline and methanol. The successive complex formation constant (βi and Gibbs energies of transfer (ΔGtr of La3+ in AN in relation to such D were obtained.

APPLICATION OF 6-NITROCOUMARIN AS A SUBSTRATE FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY IN Sporothrix schenckii

Directory of Open Access Journals (Sweden)

Cheila Denise Ottonelli Stopiglia

2013-09-01

Full Text Available Introduction Sporothrix schenckii is a thermal dimorphic pathogenic fungus causing a subcutaneous mycosis, sporotrichosis. Nitrocoumarin represents a fluorogenic substrate class where the microbial nitroreductase activity produces several derivatives, already used in several other enzyme assays. The objective of this study was the analysis of 6-nitrocoumarin (6-NC as a substrate to study the nitroreductase activity in Sporothrix schenckii. Methods Thirty-five samples of S. schenckii were cultivated for seven, 14 and 21 days at 35 °C in a microculture containing 6-nitrocoumarin or 6-aminocoumarin (6-AC dissolved in dimethyl sulfoxide or dimethyl sulfoxide as a negative control, for posterior examination under an epifluorescence microscope. The organic layer of the seven, 14 and 21-day cultures was analyzed by means of direct illumination with 365 nm UV light and by means of elution on G silica gel plate with hexane:ethyl acetate 1:4 unveiled with UV light. Results All of the strains showed the presence of 6-AC (yellow fluorescence and 6-hydroxylaminocoumarin (blue fluorescence in thin layer chromatography, which explains the green fluorescence observed in the fungus structure. Conclusion The nitroreductase activity is widely distributed in the S. schenckii complex and 6-NC is a fluorogenic substrate of easy access and applicability for the nitroreductase activity detection.

Improvement and verification of fast reactor safety analysis techniques. Progress report, October 1, 1979-March 31, 1980

International Nuclear Information System (INIS)

Barker, D.H.; Wiberg, D.V.

1980-01-01

Several of the time dependent properties of the dimethyl sulfoxide-acetyl chloride reaction system were determined. The volume of a wax cylinder melted by conducting a dimethyl sulfoxide-acetyl chloride reaction in the vessel was compared with the melted volume calculated using several different heat transfer correlations. It was found that a laminar flow at the wall model provided the most accurate calculation of the observed melted volume

Ruthenium nanocatalysis on redox reactions.

Science.gov (United States)

Veerakumar, Pitchaimani; Ramdass, Arumugam; Rajagopal, Seenivasan

2013-07-01

Nanoparticles have generated intense interest over the past 20 years due to their high potential applications in different areas such as catalysis, sensors, nanoscale electronics, fuel and solar cells and optoelectronics. As the large fractions of metal atoms are exposed to the surface, the use of metal nanoparticles as nanocatalysts allows mild reaction conditions and high catalytic efficiency in a large number of chemical transformations. They have emerged as sustainable heterogeneous catalysts and catalyst supports alternative to conventional materials. This review focuses on the synthesis, characterization and catalytic role of ruthenium nanoparticles (RuNPs) on the redox reactions of heteroatom containing organic compounds with the green reagent H2O2, a field that has attracted immense interest among the chemical, materials and industrial communities. We intend to present a broad overview of Ru nanocatalysts for redox reactions with an emphasis on their performance, stability and reusability. The growth in the chemistry of organic sulfoxides and N-oxides during last decade was due to their importance as synthetic intermediates for the production of a wide range of chemically and biologically active molecules. Thus design of efficient methods for the synthesis of sulfoxides and N-oxides becomes important. This review concentrates on the catalysis of RuNPs on the H2O2 oxidation of organic sulfides to sulfoxides and amines to N-oxides. The deoxygenation reactions of sulfoxides to sulfides and reduction of nitro compounds to amines are fundamental reactions in both chemistry and biology. Here, we also highlight the catalysis of metal nanoparticles on the deoxygenation of sulfoxides and sulfones and reduction of nitro compounds with particular emphasis on the mechanistic aspects.

Spectrophotometric study of the formation of adducts between U(TTA)4 and neutral organosulfoxide donors

International Nuclear Information System (INIS)

Ramanujam, A.; Gudi, N.M.; Nadkarni, M.N.; Ramakrishna, V.V.; Patil, S.K.

1981-01-01

Synergistic extraction of several tetravalent actinides by mixtures of a β diketone and a neutral donor has been fairly well studied except for U(IV). Presumably, this is due to the instability of U(IV) at tracer level which does not permit the use of usual distribution methods for the study of its synergistic extraction. However, it is known that the formation of adduct between metal β diketonate and the neutral donor occurs in the organic phase and its formation is mainly responsible for the synergistic enhancement in the extraction of the metal ion. U(TTA) 4 dissolved in benzene is stable in presence of excess HTTA and addition of a neutral donor to the same results in considerable spectral changes and this has been exploited in earlier studies on the adduct formation reaction between U(TTA) 4 and several organo phosphorous neutral donors. In the present study, the adduct formation between U(TTA) 4 and few neutral sulfoxide donors: dibenzyl sulfoxide (DBSO), dimethyl sulfoxide (DMSO), dihexyl sulfoxide (DHSO) and dioctyl sulfoxide (DOSO) has been investigated in benzene medium. All the donors (S) used in the present work form 1:1 adduct with U(TTA) 4 and the equilibrium constants βsub(AB) for the reaction viz., U(TTA) 4 +S U(TTA) 4 .S have been calculated. The βsub(AB) values follow the order DBSO< DMSO< DHSP approx. DOSO. An attempt has been made to compare the values with those obtained using neutral organo phosphorous compounds and to explain the observed trends on the basis of the basicity of the neutral donors. (author)

Complex chemistry

International Nuclear Information System (INIS)

Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

2006-06-01

This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

Optimization of the freezing process for hematopoietic progenitor cells: effect of precooling, initial dimethyl sulfoxide concentration, freezing program, and storage in vapor-phase or liquid nitrogen on in vitro white blood cell quality.

Science.gov (United States)

Dijkstra-Tiekstra, Margriet J; Setroikromo, Airies C; Kraan, Marcha; Gkoumassi, Effimia; de Wildt-Eggen, Janny

2014-12-01

Adding dimethyl sulfoxide (DMSO) to hematopoietic progenitor cells (HPCs) causes an exothermic reaction, potentially affecting their viability. The freezing method might also influence this. The aim was to investigate the effect of 1) precooling of DMSO and plasma (D/P) and white blood cell (WBC)-enriched product, 2) DMSO concentration of D/P, 3) freezing program, and 4) storage method on WBC quality. WBC-enriched product without CD34+ cells was used instead of HPCs. This was divided into six or eight portions. D/P (20 or 50%; precooled or room temperature [RT]) was added to the WBC-enriched product (precooled or RT), resulting in 10% DMSO, while monitoring temperature. The product was frozen using controlled-rate freezing ("fast-rate" or "slow-rate") and placed in vapor-phase or liquid nitrogen. After thawing, WBC recovery and viability were determined. Temperature increased most for precooled D/P to precooled WBC-enriched product, without influence of 20 or 50% D/P, but remained for all variations below 30°C. WBC recovery for both freezing programs was more than 95%. Recovery of WBC viability was higher for slow-rate freezing compared to fast-rate freezing (74% vs. 61%; p liquid nitrogen was marginal. Based on these results, precooling is not necessary. Fifty percent D/P is preferred over 20% D/P. Slow-rate freezing is preferred over fast-rate freezing. For safety reasons storage in vapor-phase nitrogen is preferred over storage in liquid nitrogen. Additional testing using real HPCs might be necessary. © 2014 AABB.

Toxicity of copper chelates of azomethines and amino acids for Chlorella pyrenoidosa

Energy Technology Data Exchange (ETDEWEB)

Barashkov, G.K.; Rukhadze, E.G.; Talyzenkova, G.P.

1979-01-01

The authors have attempted to assess the toxicity of copper-containing compounds from the point of view of their interrelationship with the structural characteristics of the chelate compound and the structure of the ligand. The copper chelates of the azomethines tested may be provisionally divided into three types: A - complexes with N-alkly-azomethines; B - complexes with N-aryl-azomethines; C - binuclear complexes. Consideration was also given to chelates with aromatic and heterocyclic amino acids and to heteroligand chelates in which the copper atom coordinates azomethine and an amino acid simultaneously. Toxicity was determined by the method previously described and expressed as a critical concentration (C/sub cr/, mg Cu/liter) and in relative toxicity units (T/sub c/). The compounds investigated were obtained from the interaction between a bidentant ligand of an azomethine or anamino acid and copper acetate in a water-alcohol medium at pH 6-8. Since they are not very soluble in water, true solutions were obtained by using dimethyl sulfoxide.

The oxidation of alkylaryl sulfides and benzo[b]thiophenes by Escherichia coli cells expressing wild-type and engineered styrene monooxygenase from Pseudomonas putida CA-3.

Science.gov (United States)

Nikodinovic-Runic, Jasmina; Coulombel, Lydie; Francuski, Djordje; Sharma, Narain D; Boyd, Derek R; Ferrall, Rory Moore O; O'Connor, Kevin E

2013-06-01

Nine different sulfur-containing compounds were biotransformed to the corresponding sulfoxides by Escherichia coli Bl21(DE3) cells expressing styrene monooxygenase (SMO) from Pseudomonas putida CA-3. Thioanisole was consumed at 83.3 μmoles min(-1) g cell dry weight(-1) resulting mainly in the formation of R-thioanisole sulfoxide with an enantiomeric excess (ee) value of 45 %. The rate of 2-methyl-, 2-chloro- and 2-bromo-thioanisole consumption was 2-fold lower than that of thioanisole. Surprisingly, the 2-methylthioanisole sulfoxide product had the opposite (S) configuration to that of the other 2-substituted thioanisole derivatives and had a higher ee value (84 %). The rate of oxidation of 4-substituted thioanisoles was higher than the corresponding 2-substituted substrates but the ee values of the products were consistently lower (10-23 %). The rate of benzo[b]thiophene and 2-methylbenzo[b]thiophene sulfoxidation was approximately 10-fold lower than that of thioanisole. The ee value of the benzo[b]thiophene sulfoxide could not be determined as the product racemized rapidly. E. coli cells expressing an engineered SMO (SMOeng R3-11) oxidised 2-substituted thioanisoles between 1.8- and 2.8-fold faster compared to cells expressing the wild-type enzyme. SMOeng R3-11 oxidised benzo[b]thiophene and 2-methylbenzo[b]thiophene 10.1 and 5.6 times faster that the wild-type enzyme. The stereospecificity of the reaction catalysed by SMOeng was unchanged from that of the wild type. Using the X-ray crystal structure of the P. putida S12 SMO, it was evident that the entrance of substrates into the SMO active site is limited by the binding pocket bottleneck formed by the side chains of Val-211 and Asn-46 carboxyamide group.

Cooperative Effects Between Arginine and Glutamic Acid in the Amino Acid-Catalyzed Aldol Reaction.

Science.gov (United States)

Valero, Guillem; Moyano, Albert

2016-08-01

Catalysis of the aldol reaction between cyclohexanone and 4-nitrobenzaldehyde by mixtures of L-Arg and of L-Glu in wet dimethyl sulfoxide (DMSO) takes place with higher enantioselectivity (up to a 7-fold enhancement in the anti-aldol for the 1:1 mixture) than that observed when either L-Glu or L-Arg alone are used as the catalysts. These results can be explained by the formation of a catalytically active hydrogen-bonded complex between both amino acids, and demonstrate the possibility of positive cooperative effects in catalysis by two different α-amino acids. Chirality 28:599-605, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

ComplexViewer: visualization of curated macromolecular complexes.

Science.gov (United States)

Combe, Colin W; Sivade, Marine Dumousseau; Hermjakob, Henning; Heimbach, Joshua; Meldal, Birgit H M; Micklem, Gos; Orchard, Sandra; Rappsilber, Juri

2017-11-15

Proteins frequently function as parts of complexes, assemblages of multiple proteins and other biomolecules, yet network visualizations usually only show proteins as parts of binary interactions. ComplexViewer visualizes interactions with more than two participants and thereby avoids the need to first expand these into multiple binary interactions. Furthermore, if binding regions between molecules are known then these can be displayed in the context of the larger complex. freely available under Apache version 2 license; EMBL-EBI Complex Portal: http://www.ebi.ac.uk/complexportal; Source code: https://github.com/MICommunity/ComplexViewer; Package: https://www.npmjs.com/package/complexviewer; http://biojs.io/d/complexviewer. Language: JavaScript; Web technology: Scalable Vector Graphics; Libraries: D3.js. colin.combe@ed.ac.uk or juri.rappsilber@ed.ac.uk. © The Author 2017. Published by Oxford University Press.

Toward the development of the direct and selective detection of nitrates by a bioinspired Mo-Cu system.

Science.gov (United States)

Marom, Hanit; Popowski, Yanay; Antonov, Svetlana; Gozin, Michael

2011-10-21

The development of a new platform for the direct and selective detection of nitrates is described. Two thioether-based chemosensors and the corresponding sulfoxides and sulfones were prepared, and their photophysical properties were evaluated. Upon selective sulfoxidation of these thioethers with nitrates via an oxygen-transfer reaction promoted by a bioinspired Mo-Cu system, significant fluorescence shifts were measured. A selective response of these systems, discriminating between nitrate salts and H(2)O(2), was also shown. © 2011 American Chemical Society

Tubular transport and metabolism of cimetidine in chicken kidneys

International Nuclear Information System (INIS)

Rennick, B.; Ziemniak, J.; Smith, I.; Taylor, M.; Acara, M.

1984-01-01

Renal tubular transport and renal metabolism of [ 14 C]cimetidine (CIM) were investigated by unilateral infusion into the renal portal circulation in chickens (Sperber technique). [ 14 C]CIM was actively transported at a rate 88% that of simultaneously infused p-aminohippuric acid, and its transport was saturable. The following organic cations competitively inhibited the tubular transport of [ 14 C]CIM with decreasing potency: CIM, ranitidine, thiamine, procainamide, guanidine and choline. CIM inhibited the transport of [ 14 C]thiamine, [ 14 C]amiloride and [ 14 C]tetraethylammonium. During CIM infusion, two renal metabolites, CIM sulfoxide and hydroxymethylcimetidine, were found in urine. When CIM sulfoxide was infused, its transport efficiency was 32% and not saturable. CIM sulfoxide did ot inhibit the simultaneous renal tubular transport of p-aminohippuric acid or tetraethylammonium. CIM is transported by the organic cation transport system and the kidney metabolizes CIM. Transport of CIM and other cationic drugs could produce a drug interaction to alter drug excretion

Synchronization in node of complex networks consist of complex chaotic system

Energy Technology Data Exchange (ETDEWEB)

Wei, Qiang, E-mail: qiangweibeihua@163.com [Beihua University computer and technology College, BeiHua University, Jilin, 132021, Jilin (China); Digital Images Processing Institute of Beihua University, BeiHua University, Jilin, 132011, Jilin (China); Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China); Xie, Cheng-jun [Beihua University computer and technology College, BeiHua University, Jilin, 132021, Jilin (China); Digital Images Processing Institute of Beihua University, BeiHua University, Jilin, 132011, Jilin (China); Liu, Hong-jun [School of Information Engineering, Weifang Vocational College, Weifang, 261041 (China); Li, Yan-hui [The Library, Weifang Vocational College, Weifang, 261041 (China)

2014-07-15

A new synchronization method is investigated for node of complex networks consists of complex chaotic system. When complex networks realize synchronization, different component of complex state variable synchronize up to different scaling complex function by a designed complex feedback controller. This paper change synchronization scaling function from real field to complex field for synchronization in node of complex networks with complex chaotic system. Synchronization in constant delay and time-varying coupling delay complex networks are investigated, respectively. Numerical simulations are provided to show the effectiveness of the proposed method.

A kinetic and mechanistic study on the oxidation of l-methionine and N-acetyl l-methionine by cerium(IV) in sulfuric acid medium

OpenAIRE

T. Sumathi; P. Shanmugasundaram; G. Chandramohan

2016-01-01

The kinetics of oxidation of l-methionine and N-acetyl l-methionine by Ce(IV) in sulfuric acid–sulfate media in the range of 288.1–298.1 K has been investigated. The major oxidation products of methionine and N-acetyl l-methionine have been identified as methionine sulfoxide and N-acetyl methionine sulfoxide. The major oxidation products have been confirmed by qualitative analysis and boiling point. The reaction was first order with respect to l-methionine, N-acetyl l-methionine and Ce(IV). I...

Generalized Combination Complex Synchronization for Fractional-Order Chaotic Complex Systems

Directory of Open Access Journals (Sweden)

Cuimei Jiang

2015-07-01

Full Text Available Based on two fractional-order chaotic complex drive systems and one fractional-order chaotic complex response system with different dimensions, we propose generalized combination complex synchronization. In this new synchronization scheme, there are two complex scaling matrices that are non-square matrices. On the basis of the stability theory of fractional-order linear systems, we design a general controller via active control. Additionally, by virtue of two complex scaling matrices, generalized combination complex synchronization between fractional-order chaotic complex systems and real systems is investigated. Finally, three typical examples are given to demonstrate the effectiveness and feasibility of the schemes.

Complexity explained

CERN Document Server

Erdi, Peter

2008-01-01

This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. Readers will learn the basic concepts and methods of complex system research.

Cytochrome P450 2C8 and flavin-containing monooxygenases are involved in the metabolism of tazarotenic acid in humans.

Science.gov (United States)

Attar, Mayssa; Dong, Dahai; Ling, Kah-Hiing John; Tang-Liu, Diane D-S

2003-04-01

Upon oral administration, tazarotene is rapidly converted to tazarotenic acid by esterases. The main circulating agent, tazarotenic acid is subsequently oxidized to the inactive sulfoxide metabolite. Therefore, alterations in the metabolic clearance of tazarotenic acid may have significant effects on its systemic exposure. The objective of this study was to identify the human liver microsomal enzymes responsible for the in vitro metabolism of tazarotenic acid. Tazarotenic acid was incubated with 1 mg/ml pooled human liver microsomes, in 100 mM potassium phosphate buffer (pH 7.4), at 37 degrees C, over a period of 30 min. The microsomal enzymes that may be involved in tazarotenic acid metabolism were identified through incubation with microsomes containing cDNA-expressed human microsomal isozymes. Chemical inhibition studies were then conducted to confirm the identity of the enzymes potentially involved in tazarotenic acid metabolism. Reversed-phase high performance liquid chromatography was used to quantify the sulfoxide metabolite, the major metabolite of tazarotenic acid. Upon incubation of tazarotenic acid with microsomes expressing CYP2C8, flavin-containing monooxygenase 1 (FMO1), or FMO3, marked formation of the sulfoxide metabolite was observed. The involvement of these isozymes in tazarotenic acid metabolism was further confirmed by inhibition of metabolite formation in pooled human liver microsomes by specific inhibitors of CYP2C8 or FMO. In conclusion, the in vitro metabolism of tazarotenic acid to its sulfoxide metabolite in human liver microsomes is mediated by CYP2C8 and FMO.

On Measuring the Complexity of Networks: Kolmogorov Complexity versus Entropy

Directory of Open Access Journals (Sweden)

Mikołaj Morzy

2017-01-01

Full Text Available One of the most popular methods of estimating the complexity of networks is to measure the entropy of network invariants, such as adjacency matrices or degree sequences. Unfortunately, entropy and all entropy-based information-theoretic measures have several vulnerabilities. These measures neither are independent of a particular representation of the network nor can capture the properties of the generative process, which produces the network. Instead, we advocate the use of the algorithmic entropy as the basis for complexity definition for networks. Algorithmic entropy (also known as Kolmogorov complexity or K-complexity for short evaluates the complexity of the description required for a lossless recreation of the network. This measure is not affected by a particular choice of network features and it does not depend on the method of network representation. We perform experiments on Shannon entropy and K-complexity for gradually evolving networks. The results of these experiments point to K-complexity as the more robust and reliable measure of network complexity. The original contribution of the paper includes the introduction of several new entropy-deceiving networks and the empirical comparison of entropy and K-complexity as fundamental quantities for constructing complexity measures for networks.

Complex dynamical invariants for two-dimensional complex potentials

Indian Academy of Sciences (India)

Abstract. Complex dynamical invariants are searched out for two-dimensional complex poten- tials using rationalization method within the framework of an extended complex phase space characterized by x = x1 + ip3, y = x2 + ip4, px = p1 + ix3, py = p2 + ix4. It is found that the cubic oscillator and shifted harmonic oscillator ...

Complex Fuzzy Set-Valued Complex Fuzzy Measures and Their Properties

Science.gov (United States)

Ma, Shengquan; Li, Shenggang

2014-01-01

Let F*(K) be the set of all fuzzy complex numbers. In this paper some classical and measure-theoretical notions are extended to the case of complex fuzzy sets. They are fuzzy complex number-valued distance on F*(K), fuzzy complex number-valued measure on F*(K), and some related notions, such as null-additivity, pseudo-null-additivity, null-subtraction, pseudo-null-subtraction, autocontionuous from above, autocontionuous from below, and autocontinuity of the defined fuzzy complex number-valued measures. Properties of fuzzy complex number-valued measures are studied in detail. PMID:25093202

The complex portal--an encyclopaedia of macromolecular complexes.

Science.gov (United States)

Meldal, Birgit H M; Forner-Martinez, Oscar; Costanzo, Maria C; Dana, Jose; Demeter, Janos; Dumousseau, Marine; Dwight, Selina S; Gaulton, Anna; Licata, Luana; Melidoni, Anna N; Ricard-Blum, Sylvie; Roechert, Bernd; Skyzypek, Marek S; Tiwari, Manu; Velankar, Sameer; Wong, Edith D; Hermjakob, Henning; Orchard, Sandra

2015-01-01

The IntAct molecular interaction database has created a new, free, open-source, manually curated resource, the Complex Portal (www.ebi.ac.uk/intact/complex), through which protein complexes from major model organisms are being collated and made available for search, viewing and download. It has been built in close collaboration with other bioinformatics services and populated with data from ChEMBL, MatrixDB, PDBe, Reactome and UniProtKB. Each entry contains information about the participating molecules (including small molecules and nucleic acids), their stoichiometry, topology and structural assembly. Complexes are annotated with details about their function, properties and complex-specific Gene Ontology (GO) terms. Consistent nomenclature is used throughout the resource with systematic names, recommended names and a list of synonyms all provided. The use of the Evidence Code Ontology allows us to indicate for which entries direct experimental evidence is available or if the complex has been inferred based on homology or orthology. The data are searchable using standard identifiers, such as UniProt, ChEBI and GO IDs, protein, gene and complex names or synonyms. This reference resource will be maintained and grow to encompass an increasing number of organisms. Input from groups and individuals with specific areas of expertise is welcome. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

Complexity Plots

KAUST Repository

Thiyagalingam, Jeyarajan

2013-06-01

In this paper, we present a novel visualization technique for assisting the observation and analysis of algorithmic complexity. In comparison with conventional line graphs, this new technique is not sensitive to the units of measurement, allowing multivariate data series of different physical qualities (e.g., time, space and energy) to be juxtaposed together conveniently and consistently. It supports multivariate visualization as well as uncertainty visualization. It enables users to focus on algorithm categorization by complexity classes, while reducing visual impact caused by constants and algorithmic components that are insignificant to complexity analysis. It provides an effective means for observing the algorithmic complexity of programs with a mixture of algorithms and black-box software through visualization. Through two case studies, we demonstrate the effectiveness of complexity plots in complexity analysis in research, education and application. © 2013 The Author(s) Computer Graphics Forum © 2013 The Eurographics Association and Blackwell Publishing Ltd.

Dramatic Influence of Ionic Liquid and Ultrasound Irradiation on the Electrophilic Sulfinylation of Aromatic Compounds by Sulfinic Esters

DEFF Research Database (Denmark)

Nguyen, Ngoc-Lan Thi; Vo, Hong-Thom; Duus, Fritz

2017-01-01

The sulfinylation reaction of aromatic and hetero-aromatic compounds with sulfinic esters as electrophiles has been investigated in different ionic liquids and by means of different Lewis acid salts in order to get moderate to good yields of asymmetrical sulfoxides. Mixtures of 1-butyl-3-methylim......The sulfinylation reaction of aromatic and hetero-aromatic compounds with sulfinic esters as electrophiles has been investigated in different ionic liquids and by means of different Lewis acid salts in order to get moderate to good yields of asymmetrical sulfoxides. Mixtures of 1-butyl-3...

The synthesis of 8-β-[(methylsulfinyl-[18O])-methyl]-6-propylergoline

International Nuclear Information System (INIS)

Wheeler, W.J.

1987-01-01

The synthesis of 18 O-labeled 8-Β-[(methylsulfinyl)-methyl]-6-propyl-ergoline(pergolide-[ 18 O]-sulfoxide) of undetermined stereochemistry by the reaction of 8-Β-(methylthiomethyl)-6-propyl-ergoline (pergolide) with bis-(4-methoxyphenyl)-selen-[ 18 O]-oxide in acetic acid is described. Although the yields were low and the incorporation of 18 O was not high, this procedure represents a convenient method for the preparation of 18 O-labeled sulfoxides of pergolide and other sulfides present in compounds for which the usual methods are inappropriate. (author)

Complex differential geometry

CERN Document Server

Zheng, Fangyang

2002-01-01

The theory of complex manifolds overlaps with several branches of mathematics, including differential geometry, algebraic geometry, several complex variables, global analysis, topology, algebraic number theory, and mathematical physics. Complex manifolds provide a rich class of geometric objects, for example the (common) zero locus of any generic set of complex polynomials is always a complex manifold. Yet complex manifolds behave differently than generic smooth manifolds; they are more coherent and fragile. The rich yet restrictive character of complex manifolds makes them a special and interesting object of study. This book is a self-contained graduate textbook that discusses the differential geometric aspects of complex manifolds. The first part contains standard materials from general topology, differentiable manifolds, and basic Riemannian geometry. The second part discusses complex manifolds and analytic varieties, sheaves and holomorphic vector bundles, and gives a brief account of the surface classifi...

(II) complexes

African Journals Online (AJOL)

activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

Differing patterns of P-selectin expression in lung injury

DEFF Research Database (Denmark)

Bless, N M; Tojo, S J; Kawarai, H

1998-01-01

Using two models of acute lung inflammatory injury in rats (intrapulmonary deposition of immunoglobulin G immune complexes and systemic activation of complement after infusion of purified cobra venom factor), we have analyzed the requirements and patterns for upregulation of lung vascular P......-selectin. In the immune complex model, upregulation of P-selectin was defined by Northern and Western blot analysis of lung homogenates, by immunostaining of lung tissue, and by vascular fixation of 125I-labeled anti-P-selectin. P-selectin protein was detected by 1 hour (long before detection of mRNA) and expression......-selectin was dependent on an intact complement system, and the presence of blood neutrophils was susceptible to the antioxidant dimethyl sulfoxide and required C5a but not tumor necrosis factor alpha. In contrast, in the cobra venom factor model, upregulation of P-selectin, which is C5a dependent, was also dimethyl...

Workshop on Recommendation in Complex Scenarios (ComplexRec 2017)

DEFF Research Database (Denmark)

Bogers, Toine; Koolen, Marijn; Mobasher, Bamshad

2017-01-01

Recommendation algorithms for ratings prediction and item ranking have steadily matured during the past decade. However, these state-of-the-art algorithms are typically applied in relatively straightforward scenarios. In reality, recommendation is often a more complex problem: it is usually just...... a single step in the user's more complex background need. These background needs can often place a variety of constraints on which recommendations are interesting to the user and when they are appropriate. However, relatively little research has been done on these complex recommendation scenarios....... The ComplexRec 2017 workshop addressed this by providing an interactive venue for discussing approaches to recommendation in complex scenarios that have no simple one-size-fits-all-solution....

Reversible-Deactivation Radical Polymerization of Methyl Methacrylate Induced by Photochemical Reduction of Various Copper Catalysts

Directory of Open Access Journals (Sweden)

Jaroslav Mosnáček

2014-11-01

Full Text Available Photochemically mediated reversible-deactivation radical polymerization of methyl methacrylate was successfully performed using 50–400 ppm of various copper compounds such as CuSO4·5H2O, copper acetate, copper triflate and copper acetylacetonate as catalysts. The copper catalysts were reduced in situ by irradiation at wavelengths of 366–546 nm, without using any additional reducing agent. Bromopropionitrile was used as an initiator. The effects of various solvents and the concentration and structure of ligands were investigated. Well-defined polymers were obtained when at least 100 or 200 ppm of any catalyst complexed with excess tris(2-pyridylmethylamine as a ligand was used in dimethyl sulfoxide as a solvent.

Dynamic complexity: plant receptor complexes at the plasma membrane.

Science.gov (United States)

Burkart, Rebecca C; Stahl, Yvonne

2017-12-01

Plant receptor complexes at the cell surface perceive many different external and internal signalling molecules and relay these signals into the cell to regulate development, growth and immunity. Recent progress in the analyses of receptor complexes using different live cell imaging approaches have shown that receptor complex formation and composition are dynamic and take place at specific microdomains at the plasma membrane. In this review we focus on three prominent examples of Arabidopsis thaliana receptor complexes and how their dynamic spatio-temporal distribution at the PM has been studied recently. We will elaborate on the newly emerging concept of plasma membrane microdomains as potential hubs for specific receptor complex assembly and signalling outputs. Copyright © 2017 Elsevier Ltd. All rights reserved.

Toxicological evaluation of a novel umami flavour compound: 2-(((3-(2,3-Dimethoxyphenyl-1H-1,2,4-triazol-5-ylthiomethylpyridine

Directory of Open Access Journals (Sweden)

Donald S. Karanewsky

Full Text Available A toxicological evaluation of a umami flavour compound, 2-(((3-(2,3-dimethoxyphenyl-1H-1,2,4-triazol-5-ylthiomethylpyridine (S3643; CAS 902136-79-2, was completed for the purpose of assessing its safety for use in food and beverage applications. S3643 undergoes extensive oxidative metabolism in vitro with rat microsomes producing the S3643-sulfoxide and 4′-hydroxy-S3643 as the major metabolites. In incubations with human microsomes, the O-demethyl-S3643 and S3643-sulfoxide were produced as the major metabolites. In pharmacokinetic studies in rats, the S3643-sulfoxide represents the dominant biotransformation product. S3643 was not found to be mutagenic or clastogenic in vitro, and did not induce micronuclei in CHO-WBL cells. In subchronic oral toxicity studies in rats, the no-observed-adverse-effect-level (NOAEL for S3643 was 100 mg/kg bw/day (highest dose tested when administered in the diet for 90 consecutive days. Keywords: Umami flavour, S3643, FEMA GRAS, Subchronic toxicological evaluation, Genetic toxicological evaluation

Tolerance of jenipapo seeds to cryoprotectants and thawing after immersion in liquid nitrogen

Directory of Open Access Journals (Sweden)

Severino de Paiva Sobrinho

2017-12-01

Full Text Available The objective of this study was to evaluate the effects of two cryoprotectants followed by thawing on the physiological potential of Genipa americana L. seeds. Two experiments testing 12 treatments were conducted, one for each cryoprotectant, both in a factorial scheme of 6 × 2 (cryoprotectant concentrations × thawing methods. We tested 0, 5, 10, 15, 20, and 25% for dimethyl sulfoxide, and 0, 0.25, 0.5, 0.75, 1.0, and 1.25 M for sucrose. The thawing methods were fast (38 °C for 30 min and slow (25 °C for 4 h. The seeds were immersed in the cryoprotectant solution for 3 h, stored for 120 h, and then thawed. The seeds were then sown in substrate (sand and vermiculite, 1:1. Emergence percentage along with speed index, length, fresh and dry matter mass of seedlings were evaluated. Dimethyl sulfoxide and sucrose can be used as cryoprotectants in G. americana seeds. Thawing should be slow when treating seeds with dimethyl sulfoxide.

Revitalizing Complex Analysis: A Transition-to-Proof Course Centered on Complex Topics

Science.gov (United States)

Sachs, Robert

2017-01-01

A new transition course centered on complex topics would help in revitalizing complex analysis in two ways: first, provide early exposure to complex functions, sparking greater interest in the complex analysis course; second, create extra time in the complex analysis course by eliminating the "complex precalculus" part of the course. In…

3D complex: a structural classification of protein complexes.

Directory of Open Access Journals (Sweden)

Emmanuel D Levy

2006-11-01

Full Text Available Most of the proteins in a cell assemble into complexes to carry out their function. It is therefore crucial to understand the physicochemical properties as well as the evolution of interactions between proteins. The Protein Data Bank represents an important source of information for such studies, because more than half of the structures are homo- or heteromeric protein complexes. Here we propose the first hierarchical classification of whole protein complexes of known 3-D structure, based on representing their fundamental structural features as a graph. This classification provides the first overview of all the complexes in the Protein Data Bank and allows nonredundant sets to be derived at different levels of detail. This reveals that between one-half and two-thirds of known structures are multimeric, depending on the level of redundancy accepted. We also analyse the structures in terms of the topological arrangement of their subunits and find that they form a small number of arrangements compared with all theoretically possible ones. This is because most complexes contain four subunits or less, and the large majority are homomeric. In addition, there is a strong tendency for symmetry in complexes, even for heteromeric complexes. Finally, through comparison of Biological Units in the Protein Data Bank with the Protein Quaternary Structure database, we identified many possible errors in quaternary structure assignments. Our classification, available as a database and Web server at http://www.3Dcomplex.org, will be a starting point for future work aimed at understanding the structure and evolution of protein complexes.

Unraveling chaotic attractors by complex networks and measurements of stock market complexity

International Nuclear Information System (INIS)

Cao, Hongduo; Li, Ying

2014-01-01

We present a novel method for measuring the complexity of a time series by unraveling a chaotic attractor modeled on complex networks. The complexity index R, which can potentially be exploited for prediction, has a similar meaning to the Kolmogorov complexity (calculated from the Lempel–Ziv complexity), and is an appropriate measure of a series' complexity. The proposed method is used to research the complexity of the world's major capital markets. None of these markets are completely random, and they have different degrees of complexity, both over the entire length of their time series and at a level of detail. However, developing markets differ significantly from mature markets. Specifically, the complexity of mature stock markets is stronger and more stable over time, whereas developing markets exhibit relatively low and unstable complexity over certain time periods, implying a stronger long-term price memory process

Unraveling chaotic attractors by complex networks and measurements of stock market complexity.

Science.gov (United States)

Cao, Hongduo; Li, Ying

2014-03-01

We present a novel method for measuring the complexity of a time series by unraveling a chaotic attractor modeled on complex networks. The complexity index R, which can potentially be exploited for prediction, has a similar meaning to the Kolmogorov complexity (calculated from the Lempel-Ziv complexity), and is an appropriate measure of a series' complexity. The proposed method is used to research the complexity of the world's major capital markets. None of these markets are completely random, and they have different degrees of complexity, both over the entire length of their time series and at a level of detail. However, developing markets differ significantly from mature markets. Specifically, the complexity of mature stock markets is stronger and more stable over time, whereas developing markets exhibit relatively low and unstable complexity over certain time periods, implying a stronger long-term price memory process.

Crystal structure of μ-oxalodi-hydroxamato-bis-[(2,2'-bipyrid-yl)(di-methyl sulfoxide-κO)copper(II)] bis-(perchlorate).

Science.gov (United States)

Odarich, Irina A; Pavlishchuk, Anna V; Kalibabchuk, Valentina A; Haukka, Matti

2016-02-01

The centrosymmetric binuclear complex, [Cu2(C2H2N2O4)(C10H8N2)2(C2H6OS)2](ClO4)2, contains two copper(II) ions, connected through an N-deprotonated oxalodi-hydroxamic acid dianion, two terminal 2,2'-bi-pyridine ligands, and two apically coordinating dimethylsulfoxide mol-ecules. Two non-coordinating perchlorate anions assure electrical neutrality. The copper(II) ions in the complex dication [Cu2(C10H8N2)2(μ-C2H2N2O4)(C2H6SO)2](2+) are in an O2N3 square-pyramidal donor environment, the Cu-Cu separation being 5.2949 (4) Å. Two hydroxamate groups in the deprotonated oxalodi-hydroxamic acid are located trans to one each other. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds link the complex cations to the perchlorate anions. Further C-H⋯O hydrogen bonds combine with π-π contacts with a centroid-to-centroid separation of 3.6371 (12) Å to stack the mol-ecules along the a-axis direction.

⁹⁹mTc pyrene derivative complex causes double-strand breaks in dsDNA mainly through cluster-mediated indirect effect in aqueous solution.

Directory of Open Access Journals (Sweden)

Wei-Ju Chung

Full Text Available Radiation therapy for cancer patients works by ionizing damage to nuclear DNA, primarily by creating double-strand breaks (DSB. A major shortcoming of traditional radiation therapy is the set of side effect associated with its long-range interaction with nearby tissues. Low-energy Auger electrons have the advantage of an extremely short effective range, minimizing damage to healthy tissue. Consequently, the isotope ⁹⁹mTc, an Auger electron source, is currently being studied for its beneficial potential in cancer treatment. We examined the dose effect of a pyrene derivative ⁹⁹mTc complex on plasmid DNA by using gel electrophoresis in both aqueous and methanol solutions. In aqueous solutions, the average yield per decay for double-strand breaks is 0.011±0.005 at low dose range, decreasing to 0.0005±0.0003 in the presence of 1 M dimethyl sulfoxide (DMSO. The apparent yield per decay for single-strand breaks (SSB is 0.04±0.02, decreasing to approximately a fifth with 1 M DMSO. In methanol, the average yield per decay of DSB is 0.54±0.06 and drops to undetectable levels in 2 M DMSO. The SSB yield per decay is 7.2±0.2, changing to 0.4±0.2 in the presence of 2 M DMSO. The 95% decrease in the yield of DSB in DMSO indicates that the main mechanism for DSB formation is through indirect effect, possibly by cooperative binding or clustering of intercalators. In the presence of non-radioactive ligands at a near saturation concentration, where radioactive Tc compounds do not form large clusters, the yield of SSB stays the same while the yield of DSB decreases to the value in DMSO. DSBs generated by ⁹⁹mTc conjugated to intercalators are primarily caused by indirect effects through clustering.

⁹⁹mTc pyrene derivative complex causes double-strand breaks in dsDNA mainly through cluster-mediated indirect effect in aqueous solution.

Science.gov (United States)

Chung, Wei-Ju; Cui, Yujia; Huang, Feng-Yun J; Tu, Tzu-Hui; Yang, Tzu-Sen; Lo, Jem-Mau; Chiang, Chi-Shiun; Hsu, Ian C

2014-01-01

Radiation therapy for cancer patients works by ionizing damage to nuclear DNA, primarily by creating double-strand breaks (DSB). A major shortcoming of traditional radiation therapy is the set of side effect associated with its long-range interaction with nearby tissues. Low-energy Auger electrons have the advantage of an extremely short effective range, minimizing damage to healthy tissue. Consequently, the isotope ⁹⁹mTc, an Auger electron source, is currently being studied for its beneficial potential in cancer treatment. We examined the dose effect of a pyrene derivative ⁹⁹mTc complex on plasmid DNA by using gel electrophoresis in both aqueous and methanol solutions. In aqueous solutions, the average yield per decay for double-strand breaks is 0.011±0.005 at low dose range, decreasing to 0.0005±0.0003 in the presence of 1 M dimethyl sulfoxide (DMSO). The apparent yield per decay for single-strand breaks (SSB) is 0.04±0.02, decreasing to approximately a fifth with 1 M DMSO. In methanol, the average yield per decay of DSB is 0.54±0.06 and drops to undetectable levels in 2 M DMSO. The SSB yield per decay is 7.2±0.2, changing to 0.4±0.2 in the presence of 2 M DMSO. The 95% decrease in the yield of DSB in DMSO indicates that the main mechanism for DSB formation is through indirect effect, possibly by cooperative binding or clustering of intercalators. In the presence of non-radioactive ligands at a near saturation concentration, where radioactive Tc compounds do not form large clusters, the yield of SSB stays the same while the yield of DSB decreases to the value in DMSO. DSBs generated by ⁹⁹mTc conjugated to intercalators are primarily caused by indirect effects through clustering.

Complex Correspondence Principle

International Nuclear Information System (INIS)

Bender, Carl M.; Meisinger, Peter N.; Hook, Daniel W.; Wang Qinghai

2010-01-01

Quantum mechanics and classical mechanics are distinctly different theories, but the correspondence principle states that quantum particles behave classically in the limit of high quantum number. In recent years much research has been done on extending both quantum and classical mechanics into the complex domain. These complex extensions continue to exhibit a correspondence, and this correspondence becomes more pronounced in the complex domain. The association between complex quantum mechanics and complex classical mechanics is subtle and demonstrating this relationship requires the use of asymptotics beyond all orders.

Dramatic Influence of Ionic Liquid and Ultrasound Irradiation on the Electrophilic Sulfinylation of Aromatic Compounds by Sulfinic Esters

Directory of Open Access Journals (Sweden)

Ngoc-Lan Thi Nguyen

2017-09-01

Full Text Available The sulfinylation reaction of aromatic and hetero-aromatic compounds with sulfinic esters as electrophiles has been investigated in different ionic liquids and by means of different Lewis acid salts in order to get moderate to good yields of asymmetrical sulfoxides. Mixtures of 1-butyl-3-methylimidazolium chloride and aluminum chloride were found to be the most efficient and recyclable reaction framework. Ultrasound sonication appeared to be the most useful and green activation method to afford the sulfoxides in yields better than or equivalent to those obtained under the longer-lasting conventional stirring conditions.

Uranium thiolate complexes

International Nuclear Information System (INIS)

Leverd, Pascal C.

1994-01-01

This research thesis proposes a new approach to the chemistry of uranium thiolate complexes as these compounds are very promising for various uses (in bio-inorganic chemistry, in some industrial processes like oil desulphurization). It more particularly addresses the U-S bond or more generally bonds between polarizable materials and hard metals. The author thus reports the study of uranium organometallic thiolates (tricyclo-penta-dienic and mono-cyclo-octa-tetraenylic complexes), and of uranium homoleptic thiolates (tetra-thiolate complexes, hexa-thiolate complexes, reactivity of homoleptic thiolate complexes) [fr

Clinical Complexity in Medicine: A Measurement Model of Task and Patient Complexity.

Science.gov (United States)

Islam, R; Weir, C; Del Fiol, G

2016-01-01

Complexity in medicine needs to be reduced to simple components in a way that is comprehensible to researchers and clinicians. Few studies in the current literature propose a measurement model that addresses both task and patient complexity in medicine. The objective of this paper is to develop an integrated approach to understand and measure clinical complexity by incorporating both task and patient complexity components focusing on the infectious disease domain. The measurement model was adapted and modified for the healthcare domain. Three clinical infectious disease teams were observed, audio-recorded and transcribed. Each team included an infectious diseases expert, one infectious diseases fellow, one physician assistant and one pharmacy resident fellow. The transcripts were parsed and the authors independently coded complexity attributes. This baseline measurement model of clinical complexity was modified in an initial set of coding processes and further validated in a consensus-based iterative process that included several meetings and email discussions by three clinical experts from diverse backgrounds from the Department of Biomedical Informatics at the University of Utah. Inter-rater reliability was calculated using Cohen's kappa. The proposed clinical complexity model consists of two separate components. The first is a clinical task complexity model with 13 clinical complexity-contributing factors and 7 dimensions. The second is the patient complexity model with 11 complexity-contributing factors and 5 dimensions. The measurement model for complexity encompassing both task and patient complexity will be a valuable resource for future researchers and industry to measure and understand complexity in healthcare.

Thinking Forbidden Thoughts: The Oedipus Complex as a Complex of Knowing.

Science.gov (United States)

Schein, Michael

2016-04-01

The Oedipus complex, considered by Freud the "nuclear complex of development," played a central role in the evolution of psychoanalytic thought. This paper returns to the point of transition from the seduction theory, Freud's initial theorem, to the oedipal model, and suggests that the Oedipus complex is first and foremost a text and as such contains a multiplicity of narratives. In particular, the author articulates the close relation between the Oedipus complex and the subject of knowing, postulating that underlying its surface level, the deep-level structure of this complex is one of knowing. As a complex of knowing it is of dual quality, both promoting and impeding the ability to know.

Complexity-management in SME : organization of complex relationships

NARCIS (Netherlands)

Gregus, M.; Mandorf, S.

2009-01-01

The complexity of companies' environment IS growmg. Complexity management and restructuring of small and medium-sized enterprises (SME) become big challenges of business studies in the next future. A chance could be seen in the use of e-business strategies and the implementation of information

Managing Complexity

DEFF Research Database (Denmark)

Maylath, Bruce; Vandepitte, Sonia; Minacori, Patricia

2013-01-01

and into French. The complexity of the undertaking proved to be a central element in the students' learning, as the collaboration closely resembles the complexity of international documentation workplaces of language service providers. © Association of Teachers of Technical Writing.......This article discusses the largest and most complex international learning-by-doing project to date- a project involving translation from Danish and Dutch into English and editing into American English alongside a project involving writing, usability testing, and translation from English into Dutch...

Mathematics for electric engineers. Complex numbers; Mathematiques pour l`electricien. Nombres complexes

Energy Technology Data Exchange (ETDEWEB)

Rouxel, C. [Conservatoire National des Arts et Metiers (CNAM), 75 - Paris (France)

1999-05-01

Complex numbers are widely used in electrical engineering. This article is divided into 5 parts dealing successively with: the cartesian form of complex numbers (definition, conjugated complex numbers, graphical representation); the trigonometrical form of complex numbers (module and argument, trigonometrical form, exponential notation, multiplication and division of two complex numbers); Moivre and Euler formulae; applications (square root and second degree equation, n. roots, plan rotation and similarity); cissoidal transformation (definition, properties, applications to electricity: complex impedance in permanent sinusoidal regime, transfer function of a linear system in permanent regime, study of an example). (J.S.)

ComplexRec 2017

DEFF Research Database (Denmark)

a single step in the user's more complex background need. These background needs can often place a variety of constraints on which recommendations are interesting to the user and when they are appropriate. However, relatively little research has been done on these complex recommendation scenarios....... The ComplexRec 2017 workshop addressed this by providing an interactive venue for discussing approaches to recommendation in complex scenarios that have no simple one-size-fits-all-solution....

Complex variables

CERN Document Server

Fisher, Stephen D

1999-01-01

The most important topics in the theory and application of complex variables receive a thorough, coherent treatment in this introductory text. Intended for undergraduates or graduate students in science, mathematics, and engineering, this volume features hundreds of solved examples, exercises, and applications designed to foster a complete understanding of complex variables as well as an appreciation of their mathematical beauty and elegance. Prerequisites are minimal; a three-semester course in calculus will suffice to prepare students for discussions of these topics: the complex plane, basic

INF-γ Enhances Nox2 Activity by Upregulating phox Proteins When Applied to Differentiating PLB-985 Cells but Does Not Induce Nox2 Activity by Itself.

Directory of Open Access Journals (Sweden)

Michael A Ellison

Full Text Available The cytokine and drug interferon-γ enhances superoxide anion production by the antimicrobicidal Nox2 enzyme of neutrophils. Because mature neutrophils have a short lifespan, we hypothesized that the effects of interferon-γ on these cells might be mediated by its prolonged exposure to differentiating neutrophil precursors in the bone marrow rather than its brief exposure to mature circulating neutrophils. Effects of INF-Γ on NOX2 activity: To address this possibility we exposed the myeloid PLB-985 cell line to interferon-γ for 3 days in the presence of dimethyl sulfoxide which induces terminal differentiation of these cells. Interferon-γ was found to enhance superoxide production by Nox2 in a concentration dependent manner. In contrast, application of interferon-γ alone for 3 days failed to induce detectible Nox2 activity. Additionally, application of interferon-γ for 3 hours to pre-differentiated PLB-985 cells, which models studies using isolated neutrophils, was much less effective at enhancing superoxide anion production. Effects of INF-Γ on phox protein levels: Addition of interferon-γ during differentiation was found to upregulate the Nox2 proteins gp91phox and p47phox in concert with elevated transcription of their genes. The p22phox protein was upregulated in the absence of increased transcription presumably reflecting stabilization resulting from binding to the elevated gp91phox. Thus, increased levels of gp91phox, p47phox and p22phox likely account for the interferon-γ mediated enhancement of dimethyl sulfoxide-induced Nox2 activity. In contrast, although interferon-γ alone also increased various phox proteins and their mRNAs, the pattern was very different to that seen with interferon-γ plus dimethyl sulfoxide. In particular, p47phox was not induced thus explaining the inability of interferon -γ alone to enhance Nox2 activity. Short application of interferon-γ to already differentiated cells failed to increase any phox

Complexity Management In Projects Between Rational Momentum And Complex Conditions

DEFF Research Database (Denmark)

Mac, Anita; Schlamovitz, Jesper

2015-01-01

Abstract: This study takes its departure in a model of complexity, developed by Stacey (1993), to test and discuss its practical benefit as perceived by practicing project managers. Based on a survey, the study finds that complexity is a phenomenon recognized by project managers, and complexity...... management is associated with benefits in the development of tasks and managing stakeholders. It is also associated with some difficulty in terms of an increased need for dialogue and a risk of creating goal ambiguity. Based on the findings, we conclude that classical project management approaches can...... benefit from incorporating complexity management....

Complexity management in projects between rational momentum and complex conditions

DEFF Research Database (Denmark)

Mac, Anita; Schlamovitz, Jesper

This study takes its departure in a model of complexity, developed by Stacey (1993), to test and discuss its practical benefit as perceived by practicing project managers. Based on a survey, the study finds that complexity is a phenomenon recognized by project managers, and complexity management...... is associated with benefits in the development of tasks and managing stakeholders. It is also associated with some difficulty in terms of an increased need for dialogue and a risk of creating goal ambiguity. Based on the findings, we conclude that classical project management approaches can benefit from...... incorporating complexity management....

Inhibition of biofilm formation, quorum sensing and infection in Pseudomonas aeruginosa by natural products-inspired organosulfur compounds.

Directory of Open Access Journals (Sweden)

Nathaniel C Cady

Full Text Available Using a microplate-based screening assay, the effects on Pseudomonas aeruginosa PAO1 biofilm formation of several S-substituted cysteine sulfoxides and their corresponding disulfide derivatives were evaluated. From our library of compounds, S-phenyl-L-cysteine sulfoxide and its breakdown product, diphenyl disulfide, significantly reduced the amount of biofilm formation by P. aeruginosa at levels equivalent to the active concentration of 4-nitropyridine-N-oxide (NPO (1 mM. Unlike NPO, which is an established inhibitor of bacterial biofilms, our active compounds did not reduce planktonic cell growth and only affected biofilm formation. When used in a Drosophila-based infection model, both S-phenyl-L-cysteine sulfoxide and diphenyl disulfide significantly reduced the P. aeruginosa recovered 18 h post infection (relative to the control, and were non-lethal to the fly hosts. The possibility that the observed biofilm inhibitory effects were related to quorum sensing inhibition (QSI was investigated using Escherichia coli-based reporters expressing P. aeruginosa lasR or rhIR response proteins, as well as an endogenous P. aeruginosa reporter from the lasI/lasR QS system. Inhibition of quorum sensing by S-phenyl-L-cysteine sulfoxide was observed in all of the reporter systems tested, whereas diphenyl disulfide did not exhibit QSI in either of the E. coli reporters, and showed very limited inhibition in the P. aeruginosa reporter. Since both compounds inhibit biofilm formation but do not show similar QSI activity, it is concluded that they may be functioning by different pathways. The hypothesis that biofilm inhibition by the two active compounds discovered in this work occurs through QSI is discussed.

Complexity Theory

Science.gov (United States)

Lee, William H K.

2016-01-01

A complex system consists of many interacting parts, generates new collective behavior through self organization, and adaptively evolves through time. Many theories have been developed to study complex systems, including chaos, fractals, cellular automata, self organization, stochastic processes, turbulence, and genetic algorithms.

ORF Alignment: NC_004116 [GENIUS II[Archive

Lifescience Database Archive (English)

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ORF Alignment: NC_004368 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available de methionine ... sulfoxide reductase msrB ... Length = 140 ... Query: 2 ... KETQEELRQRIGHTAYQVTQNS...ATEHAFTGKYDDFFEEGIYVDIVSGEVLFSSLDKFQSG 61 ... KETQEELRQRIGHTAYQVTQNSATEHAF...TGKYDDFFEEGIYVDIVSGEVLFSSLDKFQSG Sbjct: 1 ... KETQEELRQRIGHTAYQVTQNSATEHAFTGKYDDFFEEGIYVDIVSGEVLFSSLDKFQSG 60

Phospholyl-uranium complexes

International Nuclear Information System (INIS)

Gradoz, Philippe

1993-01-01

After having reported a bibliographical study on penta-methylcyclopentadienyl uranium complexes, and a description of the synthesis and radioactivity of uranium (III) and (IV) boron hydrides compounds, this research thesis reports the study of mono and bis-tetramethyl-phospholyl uranium complexes comprising chloride, boron hydride, alkyl and alkoxide ligands. The third part reports the comparison of structures, stabilities and reactions of homologue complexes in penta-methylcyclopentadienyl and tetramethyl-phospholyl series. The last part addresses the synthesis of tris-phospholyl uranium (III) and (IV) complexes. [fr

Complex saddle points and the sign problem in complex Langevin simulation

International Nuclear Information System (INIS)

Hayata, Tomoya; Hidaka, Yoshimasa; Tanizaki, Yuya

2016-01-01

We show that complex Langevin simulation converges to a wrong result within the semiclassical analysis, by relating it to the Lefschetz-thimble path integral, when the path-integral weight has different phases among dominant complex saddle points. Equilibrium solution of the complex Langevin equation forms local distributions around complex saddle points. Its ensemble average approximately becomes a direct sum of the average in each local distribution, where relative phases among them are dropped. We propose that by taking these phases into account through reweighting, we can solve the wrong convergence problem. However, this prescription may lead to a recurrence of the sign problem in the complex Langevin method for quantum many-body systems.

Complex and symplectic geometry

CERN Document Server

Medori, Costantino; Tomassini, Adriano

2017-01-01

This book arises from the INdAM Meeting "Complex and Symplectic Geometry", which was held in Cortona in June 2016. Several leading specialists, including young researchers, in the field of complex and symplectic geometry, present the state of the art of their research on topics such as the cohomology of complex manifolds; analytic techniques in Kähler and non-Kähler geometry; almost-complex and symplectic structures; special structures on complex manifolds; and deformations of complex objects. The work is intended for researchers in these areas.

Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)

OpenAIRE

Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.

2017-01-01

The biologically active title compounds have been isolated from Hibiscus sabdariffa plants, hibiscus acid as a dimethyl sulfoxide monosolvate [systematic name: (2S,3R)-3-hy?droxy-5-oxo-2,3,4,5-tetra?hydro?furan-2,3-di?carb?oxy?lic acid dimethyl sulfoxide monosolvate], C6H6O7?C2H6OS, (I), and hibiscus acid dimethyl ester [systematic name: dimethyl (2S,3R)-3-hy?droxy-5-oxo-2,3,4,5-tetra?hydro?furan-2,3-di?carboxyl?ate], C8H10O7, (II). Compound (I) forms a layered structure with alternating laye...

Convergent Evolution of Ergothioneine Biosynthesis in Cyanobacteria.

Science.gov (United States)

Liao, Cangsong; Seebeck, Florian P

2017-11-02

Biosynthesis of N-α-trimethyl-2-thiohistidine (ergothioneine) is a frequent trait in cyanobacteria. This sulfur compound may provide essential relief from oxidative stress related to oxygenic photosynthesis. The central steps in ergothioneine biosynthesis are catalyzed by a histidine methyltransferase and an iron-dependent sulfoxide synthase. In this report, we present evidence that some cyanobacteria recruited and adapted a sulfoxide synthase from a different biosynthetic pathway to make ergothioneine. The discovery of a second origin of ergothioneine production underscores the physiological importance of this metabolite and highlights the evolutionary malleability of the thiohistidine biosynthetic machinery. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Role of the PufX protein in photosynthetic growth of Rhodobacter sphaeroides. 2. PufX is required for efficient ubiquinone/ubiquinol exchange between the reaction center QB site and the cytochrome bc1 complex.

Science.gov (United States)

Barz, W P; Verméglio, A; Francia, F; Venturoli, G; Melandri, B A; Oesterhelt, D

1995-11-21

The PufX membrane protein is essential for photosynthetic growth of Rhodobacter sphaeroides because it is required for multiple-turnover electron transfer under anaerobic conditions [see accompanying article; Barz, W. P., Francia, F., Venturoli, G., Melandri, B. A., Verméglio, A., & Oesterhelt, D. (1995) Biochemistry 34, 15235-15247]. In order to understand the molecular role of PufX, light-induced absorption spectroscopy was performed using a pufX- mutant, a pufX+ strain, and two suppressor mutants. We show that the reaction center (RC) requires PufX for its functionality under different redox conditions than the cytochrome bc1 complex: When the kinetics of flash-induced reduction of cytochrome b561 were monitored in chromatophores, we observed a requirement of PufX for turnover of the cytochrome bc1 complex only at high redox potential (Eh > 140 mV), suggesting a function of PufX in lateral ubiquinol transfer from the RC. In contrast, PufX is required for multiple turnover of the RC only under reducing conditions: When the Q pool was partially oxidized in vivo using oxygen or electron acceptors like dimethyl sulfoxide or trimethylamine N-oxide, the deletion of PufX had no effect on light-driven electron flow through the RC. Flash train experiments under anaerobic in vivo conditions revealed that RC photochemistry does not depend on PufX for the first two flash excitations. Following the third and subsequent flashes, however, efficient charge separation requires PufX, indicating an important role of PufX for fast Q/QH2 exchange at the QB site of the RC. We show that the Q/QH2 exchange rate is reduced approximately 500-fold by the deletion of PufX when the Q pool is nearly completely reduced, demonstrating an essential role of PufX for the access of ubiquinone to the QB site. The fast ubiquinone/ubiquinol exchange is partially restored by suppressor mutations altering the macromolecular antenna structure. These results suggest an indirect role of PufX in

Preparation and characterization of platinum(II) and (IV) complexes of 1,3-diaminepropane and 1,4-diaminebutane: circumvention of cisplatin resistance and DNA interstrand cross-link formation in CH1cisR ovarian tumor cells.

Science.gov (United States)

Alvarez-Valdés, Amparo; Pérez, José Manuel; López-Solera, Isabel; Lannegrand, Raúl; Continente, José Manuel; Amo-Ochoa, Pilar; Camazón, María José; Solans, Xavier; Font-Bardía, Mercè; Navarro-Ranninger, Carmen

2002-04-25

The reaction of Pt(dimethyl sulfoxide)(2)CBDCA (CBDCA = 1,1-cyclobutanedicarboxylate) with 1,4-diaminebutane and 1,3-diaminepropane ligands yields, under certain conditions, new [Pt(diamine)(2)]CBDCA complexes (1a,b), where the CBDCA ligand has been removed from the coordination sphere of the platinum atom by the diamine ligand, instead of forming the expected [Pt(diamine)CBDCA] complexes (1'a,b). The structure of complexes 1a and 1'b was solved by X-ray diffraction. Complex 1a crystallizes in the orthorhombic system, in the noncentrosymmetric C222 space group, with unit cell parameters: a = 20.053(2) A; b = 8.655(2) A, c = 5.711(3) A; V = 991.2(6) A(3); delta (calcd) = 1.627 mg/m(3); and R = 0.050. The Pt atom displays an unexpected distorted tetrahedral coordination with a N-Pt-N inner bond angle equal to 81(2) degrees for N atoms of the same 1,3-propanediamine ligand and a N-Pt-N bond angle for different ligands equal to 135.4(9) degrees. Complex 1'b crystallizes in the monoclinic system, in the centrosymmetric P2(1)/c space group, with unit cell parameters: a = 6.007(2) A; b = 15.336(4) A, c = 13.232(5) A; beta = 101.90(3) degrees; V = 1192.8(7) A(3); delta (calcd) = 2.369 mg/m(3); and R = 0.067. Cytotoxicity data show that of all the synthesized compounds, only complexes 1'a and 1'b exhibit remarkable cytotoxic properties. Thus, in contrast with carboplatin (cis-diammine-1,1-cyclobutane dicarboxilatoplatinum(II)), compounds 1'a and 1'b, which also contain the CBDCA ligand, are able to circumvent cisplatin (cis-diamminedichloroplatinum(II)) resistance in several tumor cells. Moreover, after 24 h of incubation of CH1cisR ovarian tumor cells with 10 microM of compounds 1'a and 1'b, the level of DNA interstrand cross-links (ICLs) induced by compounds 1'a and 1'b is 3.3 and 3.8 times higher, respectively, than that of carboplatin and 3.5 and 4.0 times higher, respectively, than that of cisplatin. Interestingly, under the same conditions, the intracellular

Adaptive generalized combination complex synchronization of uncertain real and complex nonlinear systems

Energy Technology Data Exchange (ETDEWEB)

Wang, Shi-bing, E-mail: wang-shibing@dlut.edu.cn, E-mail: wangxy@dlut.edu.cn [School of Computer and Information Engineering, Fuyang Normal University, Fuyang 236041 (China); Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian 116024 (China); Wang, Xing-yuan, E-mail: wang-shibing@dlut.edu.cn, E-mail: wangxy@dlut.edu.cn [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian 116024 (China); Wang, Xiu-you [School of Computer and Information Engineering, Fuyang Normal University, Fuyang 236041 (China); Zhou, Yu-fei [College of Electrical Engineering and Automation, Anhui University, Hefei 230601 (China)

2016-04-15

With comprehensive consideration of generalized synchronization, combination synchronization and adaptive control, this paper investigates a novel adaptive generalized combination complex synchronization (AGCCS) scheme for different real and complex nonlinear systems with unknown parameters. On the basis of Lyapunov stability theory and adaptive control, an AGCCS controller and parameter update laws are derived to achieve synchronization and parameter identification of two real drive systems and a complex response system, as well as two complex drive systems and a real response system. Two simulation examples, namely, ACGCS for chaotic real Lorenz and Chen systems driving a hyperchaotic complex Lü system, and hyperchaotic complex Lorenz and Chen systems driving a real chaotic Lü system, are presented to verify the feasibility and effectiveness of the proposed scheme.

A new generative complexity science of learning for a complex pedagogy

NARCIS (Netherlands)

Jörg, T.

2007-01-01

Proposal for the SIG Chaos and Complexity Theories at AERA 2007 Title: A New Generative Complexity Science of Learning for a Complex Pedagogy Ton Jörg IVLOS Institute of Education University of Utrecht The Netherlands A.G.D.Jorg@ivlos.uu.nl Introduction My paper focuses on the link between thinking

Quantum complex rotation and uniform semiclassical calculations of complex energy eigenvalues

International Nuclear Information System (INIS)

Connor, J.N.L.; Smith, A.D.

1983-01-01

Quantum and semiclassical calculations of complex energy eigenvalues have been carried out for an exponential potential of the form V 0 r 2 exp(-r) and Lennard-Jones (12,6) potential. A straightforward method, based on the complex coordinate rotation technique, is described for the quantum calculation of complex eigenenergies. For singular potentials, the method involves an inward and outward integration of the radial Schroedinger equation, followed by matching of the logarithmic derivatives of the wave functions at an intermediate point. For regular potentials, the method is simpler, as only an inward integration is required. Attention is drawn to the World War II researches of Hartree and co-workers who anticipated later quantum mechanical work on the complex rotation method. Complex eigenenergies are also calculated from a uniform semiclassical three turning point quantization formula, which allows for the proximity of the outer pair of complex turning points. Limiting cases of this formula, which are valid for very narrow or very broad widths, are also used in the calculations. We obtain good agreement between the semiclassical and quantum results. For the Lennard-Jones (12,6) potential, we compare resonance energies and widths from the complex energy definition of a resonance with those obtained from the time delay definition

Complex Constructivism: A Theoretical Model of Complexity and Cognition

Science.gov (United States)

Doolittle, Peter E.

2014-01-01

Education has long been driven by its metaphors for teaching and learning. These metaphors have influenced both educational research and educational practice. Complexity and constructivism are two theories that provide functional and robust metaphors. Complexity provides a metaphor for the structure of myriad phenomena, while constructivism…

Complexity in phonology: The complex consonants of simple CV ...

African Journals Online (AJOL)

The main objective of this article is to investigate the interplay of simplicity and complexity in the phonological structure of Zezuru. The article argues that Zezuru affricates, prenasalised consonants (NCs) and velarised consonants (Cws) are subsegmentally complex segments which function as simple onsets. Treating them ...

Cobalt(III) complex

Indian Academy of Sciences (India)

Administrator

e, 40 µM complex, 10 hrs after dissolution, f, 40 µM complex, after irradiation dose 15 Gy. and H-atoms result in reduction of Co(III) to Co. (II). 6. It is interesting to see in complex containing multiple ligands what is the fate of electron adduct species formed by electron addition. Reduction to. Co(II) and intramolecular transfer ...

Nuclear weapons complex

International Nuclear Information System (INIS)

Rezendes, V.S.

1991-03-01

In this book, GAO characterizes DOE's January 1991 Nuclear Weapons Complex Reconfiguration Study as a starting point for reaching agreement on solutions to many of the complex's safety and environmental problems. Key decisions still need to be made about the size of the complex, where to relocate plutonium operations, what technologies to use for new tritium production, and what to do with excess plutonium. The total cost for reconfiguring and modernizing the complex is still uncertain, and some management issues remain unresolved. Congress faces a difficult task in making test decisions given the conflicting demands for scarce resources in a time of growing budget deficits and war in the Persian Gulf

Exposure of Heligmosomoides polygyrus and Trichuris muris to albendazole, albendazole sulfoxide, mebendazole and oxantel pamoate in vitro and in vivo to elucidate the pathway of drug entry into these gastrointestinal nematodes.

Science.gov (United States)

Cowan, Noemi; Meier, Charles; Neodo, Anna; Keiser, Jennifer

2017-08-01

Millions of people are treated with anthelmintics to control soil-transmitted helminth infections; yet, drug distribution in the plasma and gastrointestinal tract compartments and the pathway of drug uptake into gastrointestinal nematodes responsible for the pharmacological effect are unknown. We assessed the distribution and uptake of albendazole, albendazole sulfoxide, albendazole sulfone in the hookworm Heligmosomoides polygyrus in vitro and in vivo as well as the distribution and uptake of albendazole, mebendazole, and oxantel pamoate in the whipworm Trichuris muris in vitro and in vivo. Oral and intraperitoneal treatments (100 mg/kg) were studied. Drug quantities in helminths and host compartments (stomach, the contents and mucosa of the small and large intestine, and the plasma) were determined using HPLC-UV/vis and anthelmintic activities were recorded using phenotypic readout. The influence of 1-aminobenzotriazole (ABT), an irreversible and unspecific cytochrome P450 inhibitor, on albendazole disposition in mice harboring H. polygyrus was evaluated. In vivo, albendazole was found in quantities up to 10 nmol per ten H. polygyrus and up to 31 nmol per ten T. muris. ABT did not change the levels of albendazole or its metabolites in the plasma of mice harboring H. polygyrus or in H. polygyrus, whereas drug levels in the gastrointestinal tract of host mice doubled. Mebendazole and oxantel pamoate quantities per ten T. muris were as high as 21 nmol and 34 nmol, respectively. Albendazole revealed a very dynamic distribution and high rate of metabolism, hence, H. polygyrus and T. muris are exposed to albendazole and both metabolites via multiple pathways. Diffusion through the cuticle seems to be the crucial pathway of oxantel pamoate uptake into T. muris, and likely also for mebendazole. No relationship between concentrations measured in helminths and concentrations in plasma, intestinal content and mucosa of mice, or drug efficacy was noted for

Complex Networks

CERN Document Server

Evsukoff, Alexandre; González, Marta

2013-01-01

In the last decade we have seen the emergence of a new inter-disciplinary field focusing on the understanding of networks which are dynamic, large, open, and have a structure sometimes called random-biased. The field of Complex Networks is helping us better understand many complex phenomena such as the spread of  deseases, protein interactions, social relationships, to name but a few. Studies in Complex Networks are gaining attention due to some major scientific breakthroughs proposed by network scientists helping us understand and model interactions contained in large datasets. In fact, if we could point to one event leading to the widespread use of complex network analysis is the availability of online databases. Theories of Random Graphs from Erdös and Rényi from the late 1950s led us to believe that most networks had random characteristics. The work on large online datasets told us otherwise. Starting with the work of Barabási and Albert as well as Watts and Strogatz in the late 1990s, we now know th...

Functional genomics indicates yeast requires Golgi/ER transport, chromatin remodeling, and DNA repair for low dose DMSO tolerance

Directory of Open Access Journals (Sweden)

Brandon David Gaytán

2013-08-01

Full Text Available Dimethyl sulfoxide (DMSO is frequently utilized as a solvent in toxicological and pharmaceutical investigations. It is therefore important to establish the cellular and molecular targets of DMSO in order to differentiate its intrinsic effects from those elicited by a compound of interest. We performed a genome-wide functional screen in Saccharomyces cerevisiae to identify deletion mutants exhibiting sensitivity to 1% DMSO, a concentration standard to yeast chemical profiling studies. We report that mutants defective in Golgi/ER transport are sensitive to DMSO, including those lacking components of the conserved oligomeric Golgi (COG complex. Moreover, strains deleted for members of the SWR1 histone exchange complex are hypersensitive to DMSO, with additional chromatin remodeling mutants displaying a range of growth defects. We also identify DNA repair genes important for DMSO tolerance. Finally, we demonstrate that overexpression of histone H2A.Z, which replaces chromatin-associated histone H2A in a SWR1-catalyzed reaction, confers resistance to DMSO. Many yeast genes described in this study have homologs in more complex organisms, and the data provided is applicable to future investigations into the cellular and molecular mechanisms of DMSO toxicity.

Power grid complexity

Energy Technology Data Exchange (ETDEWEB)

Mei, Shengwei; Zhang, Xuemin [Tsinghua Univ., Beijing, BJ (China). Dept. of Electrical Engineering; Cao, Ming [Groningen Univ. (Netherlands). Faculty of Mathematics and Natural Sciences

2011-07-01

''Power Grid Complexity'' introduces the complex system theory known as self-organized criticality (SOC) theory and complex network theory, and their applications to power systems. It studies the network characteristics of power systems, such as their small-world properties, structural vulnerability, decomposition and coordination strategies, and simplification and equivalence methods. The book also establishes four blackout models based on SOC theory through which the SOC of power systems is studied at both the macroscopic and microscopic levels. Additionally, applications of complex system theory in power system planning and emergency management platforms are also discussed in depth. This book can serve as a useful reference for engineers and researchers working with power systems. (orig.)

Coxeter-like complexes

Directory of Open Access Journals (Sweden)

Eric Babson

2004-12-01

Full Text Available Motivated by the Coxeter complex associated to a Coxeter system (W,S, we introduce a simplicial regular cell complex Δ(G,S with a G-action associated to any pair (G,S where G is a group and S is a finite set of generators for G which is minimal with respect to inclusion. We examine the topology of Δ(G,S, and in particular the representations of G on its homology groups. We look closely at the case of the symmetric group S n minimally generated by (not necessarily adjacent transpositions, and their type-selected subcomplexes. These include not only the Coxeter complexes of type A, but also the well-studied chessboard complexes.

Technetium complexation by macrocyclic compounds

International Nuclear Information System (INIS)

Li Fan Yu.

1983-01-01

Research in nuclear medicine are directed towards the labelling of biological molecules, however, sup(99m)Tc does not show sufficient affinity for these molecules. The aim of this study was to evaluate the ability of macrocyclic compounds to bind strongly technetium in order to be used as complexation intermediate. The reducing agents used were a stannous complex and sodium dithionite. Cryptates and polyesters are not good complexing agents. They form two complexes: a 2:1 sandwich complex or 3:2 and a 1:1 complex. Cyclams are good complexing agents for technetium their complexations strength was determined by competition with pyrophosphate, gluconate and DTPA. Using the method of ligand exchange, the oxidation state of technetium in the Tc-cyclam complex was IV or V. They are 1:1 cationic complexes, the complex charge is +1. The biodistribution in rats of labelling solutions containing (cyclam 14 ane N 4 ) C 12 H 25 shows a good urinary excretion without intoxication risks [fr

Identification of a flavin-containing S-oxygenating monooxygenase involved in alliin biosynthesis in garlic.

Science.gov (United States)

Yoshimoto, Naoko; Onuma, Misato; Mizuno, Shinya; Sugino, Yuka; Nakabayashi, Ryo; Imai, Shinsuke; Tsuneyoshi, Tadamitsu; Sumi, Shin-ichiro; Saito, Kazuki

2015-09-01

S-Alk(en)yl-l-cysteine sulfoxides are cysteine-derived secondary metabolites highly accumulated in the genus Allium. Despite pharmaceutical importance, the enzymes that contribute to the biosynthesis of S-alk-(en)yl-l-cysteine sulfoxides in Allium plants remain largely unknown. Here, we report the identification of a flavin-containing monooxygenase, AsFMO1, in garlic (Allium sativum), which is responsible for the S-oxygenation reaction in the biosynthesis of S-allyl-l-cysteine sulfoxide (alliin). Recombinant AsFMO1 protein catalyzed the stereoselective S-oxygenation of S-allyl-l-cysteine to nearly exclusively yield (RC SS )-S-allylcysteine sulfoxide, which has identical stereochemistry to the major natural form of alliin in garlic. The S-oxygenation reaction catalyzed by AsFMO1 was dependent on the presence of nicotinamide adenine dinucleotide phosphate (NADPH) and flavin adenine dinucleotide (FAD), consistent with other known flavin-containing monooxygenases. AsFMO1 preferred S-allyl-l-cysteine to γ-glutamyl-S-allyl-l-cysteine as the S-oxygenation substrate, suggesting that in garlic, the S-oxygenation of alliin biosynthetic intermediates primarily occurs after deglutamylation. The transient expression of green fluorescent protein (GFP) fusion proteins indicated that AsFMO1 is localized in the cytosol. AsFMO1 mRNA was accumulated in storage leaves of pre-emergent nearly sprouting bulbs, and in various tissues of sprouted bulbs with green foliage leaves. Taken together, our results suggest that AsFMO1 functions as an S-allyl-l-cysteine S-oxygenase, and contributes to the production of alliin both through the conversion of stored γ-glutamyl-S-allyl-l-cysteine to alliin in storage leaves during sprouting and through the de novo biosynthesis of alliin in green foliage leaves. © 2015 The Authors The Plant Journal © 2015 John Wiley & Sons Ltd.

[Tissue-specific nucleoprotein complexes].

Science.gov (United States)

Riadnova, I Iu; Shataeva, L K; Khavinson, V Kh

2000-01-01

A method of isolation of native nucleorprotein complexes from cattle cerebral cortex, thymus, and liver was developed. Compositions of these complexes were studied by means of gel-chromatography and ion-exchange chromatography. These preparations were shown to consist of several fractions of proteins and their complexes differ by molecular mass and electro-chemical properties. Native nucleoprotein complexes revealed high tissue specific activity, which was not species-specific.

Complex analysis and geometry

CERN Document Server

Silva, Alessandro

1993-01-01

The papers in this wide-ranging collection report on the results of investigations from a number of linked disciplines, including complex algebraic geometry, complex analytic geometry of manifolds and spaces, and complex differential geometry.

On Complex Random Variables

Directory of Open Access Journals (Sweden)

Anwer Khurshid

2012-07-01

Full Text Available Normal 0 false false false EN-US X-NONE X-NONE In this paper, it is shown that a complex multivariate random variable  is a complex multivariate normal random variable of dimensionality if and only if all nondegenerate complex linear combinations of  have a complex univariate normal distribution. The characteristic function of  has been derived, and simpler forms of some theorems have been given using this characterization theorem without assuming that the variance-covariance matrix of the vector  is Hermitian positive definite. Marginal distributions of  have been given. In addition, a complex multivariate t-distribution has been defined and the density derived. A characterization of the complex multivariate t-distribution is given. A few possible uses of this distribution have been suggested.

HALLOYSITE INTERCALATION OF NORTHWEST ANATOLIA

Directory of Open Access Journals (Sweden)

Bülent BAŞARA

2015-11-01

Full Text Available In this study, the representative samples were taken from the halloysite deposits located in Çanakkale-Balıkesir regions, in NW Anatolia. At first, the dehydration temperatures of the samples were determined after sample preparation and characterization studies. It was found that halloysite samples began to lose their interlayer waters at 50°C and continued up to 70°C. The intercalation studies were carried out on dehydrated samples by using ethylene glycol, potassium acetate, dimethyl sulfoxide and formamide. Although there were negative results by ethylene glycol and potassium acetate, the satisfactory results were obtained by dimethyl sulfoxide and formamide. It was understood that the most effective reagent in terms of intercalation was formamide.

Effects of trichostatins on differentiation of murine erythroleukemia cells

International Nuclear Information System (INIS)

Yoshida, M.; Nomura, S.; Beppu, T.

1987-01-01

The fungistatic antibiotics trichostatins (TS) A and C were isolated from culture broth of Streptomyces platensis No. 145 and were found to be potent inducers of differentiation in murine erythroleukemia (Friend and RV133) cells at concentrations of 1.5 X 10(-8) M for TSA and 5 X 10(-7) M for TSC. Differentiation induced by TS was cooperatively enhanced by UV irradiation but not by treatment with dimethyl sulfoxide. This enhanced activity was completely inhibited by adding cycloheximide to the culture medium 2 h after exposure to TS, suggesting that TS are dimethyl sulfoxide-type inducers of erythroid differentiation. No inhibitory effect of TS was observed on macromolecular synthesis in cultured cells

Cyclic resolution of racemic ibuprofen via coupled efficient lipase and acid-base catalysis.

Science.gov (United States)

Liu, Ying; Wang, Fang; Tan, Tianwei

2009-03-01

Extracellular lipase LIP prepared in our lab from the yeast Yarrowia lipolytica was used for the resolution of racemic ibuprofen. The (S)-enantiomer was preferred by lipase LIP, and the unreacted (R)-enantiomer was extracted and racemized in basic solvent-water medium to be re-resolved. Solvent, content of solvent, base concentration, and temperature have a strong effect on racemization. The (S)-ester was separated and hydrolyzed to (S)-ibuprofen in acidic dimethyl sulfoxide-water mixture containing 70% dimethyl sulfoxide. The high purity (S)-ibuprofen (ee = 0.98) was obtained using lipase LIP to catalyze hydrolysis of (S)-ester in 0.1 M phosphate buffer (pH = 8). (c) 2008 Wiley-Liss, Inc.

Reference value standards and primary standards for pH measurements in D2O and aqueous-organic solvent mixtures: new accessions and assessments

International Nuclear Information System (INIS)

Mussini, P.R.; Mussini, T.; Rondinini, S.

1997-01-01

Recommended Reference Value Standards based on the potassium hydro-genphthalate buffer at various temperatures are reported for pH measurements in various binary solvent mixtures of water with eight organic solvents: methanol, ethanol, 2-propanol, 1,2-ethanediol, 2-methoxyethanol (''methylcellosolve''), acetonitrile, 1,4-dioxane, and dimethyl sulfoxide, together with Reference Value Standard based on the potassium deuterium phthalate buffer for pD measurements in D 2 O. In addition are reported Primary Standards for pH based on numerous buffers in various binary solvent mixtures of water with methanol, ethanol, and dimethyl sulfoxide, together with Primary Standards for pD in D 2 O based on the citrate, phosphate and carbonate buffers. (author)

Complex Systems: An Introduction

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 9. Complex Systems: An Introduction - Anthropic Principle, Terrestrial Complexity, Complex Materials. V K Wadhawan. General Article Volume 14 Issue 9 September 2009 pp 894-906 ...

Simplicial complexes of graphs

CERN Document Server

Jonsson, Jakob

2008-01-01

A graph complex is a finite family of graphs closed under deletion of edges. Graph complexes show up naturally in many different areas of mathematics, including commutative algebra, geometry, and knot theory. Identifying each graph with its edge set, one may view a graph complex as a simplicial complex and hence interpret it as a geometric object. This volume examines topological properties of graph complexes, focusing on homotopy type and homology. Many of the proofs are based on Robin Forman's discrete version of Morse theory. As a byproduct, this volume also provides a loosely defined toolbox for attacking problems in topological combinatorics via discrete Morse theory. In terms of simplicity and power, arguably the most efficient tool is Forman's divide and conquer approach via decision trees; it is successfully applied to a large number of graph and digraph complexes.

Biotransformation of enoximone, a new cardiotonic agent, in man and laboratory animals

International Nuclear Information System (INIS)

Chan, K.Y.; Lang, J.F.; Coutant, J.E.; Okerholm, R.A.

1986-01-01

Enoximone, 1,3-dihydro-4-methyl-5-[4-(methylthio)benzoyl]-2H-imidazol-2-one is a new cardiotonic agent which is currently undergoing clinical evaluation in patients with congestive heart failure. Biotransformation of enoximone was studied in man, rat, monkey and dog by means of 14 C-labelled material, HPLC and GC/MS techniques. Metabolic conversions were qualitatively similar in all species. The parent compound was found to be extensively metabolized. Generally less than 1% of the dose was recovered as enoximone in urine. The sulfoxide was the major metabolite in all species, accounting for over 90% of the dose in the urine of the monkey and greater than 75% in man and the rat. The sulfone was present in trace quantities, except in the rats, where it accounted for 5-8% of the dose. A glycine conjugate of 4-methylthiobenzoic acid was also identified as a urinary metabolite; and the dog seems to favor this pathway more than the other 3 species; as it accounted for over 30% of the dose. The two stereoisomers of synthetic sulfoxide were separated by HPLC, and examination of urine from patients receiving enoximone therapy suggested that the metabolic conversion of enoximone to sulfoxide was stereospecific, as only one isomeric peak was observed in the HPLC system

Transformation of cefazolin during chlorination process: Products, mechanism and genotoxicity assessment

Energy Technology Data Exchange (ETDEWEB)

Li, Liping, E-mail: lisaleercees807@yahoo.cn; Wei, Dongbin, E-mail: weidb@rcees.ac.cn; Wei, Guohua, E-mail: wgh@rcees.ac.cn; Du, Yuguo, E-mail: duyuguo@rcees.ac.cn

2013-11-15

Highlights: • Base-catalyzed electrophilic substitution occurred in cefazolin chlorination. • Oxidation of thioether in cefazolin was found in chlorination process. • The pH conditions impacted on the occurrence of reaction types. • Genotoxicity had an elevation after chlorination of cefazolin. • Reaction pathways of cefazolin chlorination were replayed in surface water matrix. -- Abstract: Large quantities of cephalosporins have entered into aquatic environment in recent years, posing potential adverse effect to human health and ecological safety. In this study, cefazolin, one of widely used cephalosporins, was targeted to explore its transformation behaviors in chlorination disinfection process. With the help of ultra high performance liquid chromatography and high resolution mass spectroscopy, one chlorinated product and four oxidation products were detected in cefazolin chlorination system. The corresponding transformation pathways of cefazolin were proposed. Two kinds of reactions occurred in chlorination system, one was oxidation of thioether-sulfur to sulfoxide and di-sulfoxide, and the other was base-catalyzed electrophilic substitution of alpha-H of amide by chlorine atom. The pH value determined the occurrence of reaction types, and increasing chlorine dose promoted transformation of cefazolin. More importantly, genotoxicity in SOS/umu assay had an elevation after chlorination, which might be attributed to the formation of chlorinated product and sulfoxide during chlorination process.

Transformation of cefazolin during chlorination process: Products, mechanism and genotoxicity assessment

International Nuclear Information System (INIS)

Li, Liping; Wei, Dongbin; Wei, Guohua; Du, Yuguo

2013-01-01

Highlights: • Base-catalyzed electrophilic substitution occurred in cefazolin chlorination. • Oxidation of thioether in cefazolin was found in chlorination process. • The pH conditions impacted on the occurrence of reaction types. • Genotoxicity had an elevation after chlorination of cefazolin. • Reaction pathways of cefazolin chlorination were replayed in surface water matrix. -- Abstract: Large quantities of cephalosporins have entered into aquatic environment in recent years, posing potential adverse effect to human health and ecological safety. In this study, cefazolin, one of widely used cephalosporins, was targeted to explore its transformation behaviors in chlorination disinfection process. With the help of ultra high performance liquid chromatography and high resolution mass spectroscopy, one chlorinated product and four oxidation products were detected in cefazolin chlorination system. The corresponding transformation pathways of cefazolin were proposed. Two kinds of reactions occurred in chlorination system, one was oxidation of thioether-sulfur to sulfoxide and di-sulfoxide, and the other was base-catalyzed electrophilic substitution of alpha-H of amide by chlorine atom. The pH value determined the occurrence of reaction types, and increasing chlorine dose promoted transformation of cefazolin. More importantly, genotoxicity in SOS/umu assay had an elevation after chlorination, which might be attributed to the formation of chlorinated product and sulfoxide during chlorination process

A thermochemical study on the coordination complex of cerium trichloroacetic acid with 8-hydroxyquinoline

International Nuclear Information System (INIS)

Li Qiangguo; Qu Songsheng; Liu Yi

2003-01-01

The standard molar reaction enthalpies of two reactions, CeCl 3 ·7H 2 O(s) + 3CCl 3 COOH(s)(or TCA) = Ce(TCA) 3 ·3H 2 O(s) + 3HCl(g) + 4H 2 O(l) and Ce(TCA) 3 ·3H 2 O(s) + 2C 9 H 7 NO(s) Ce(TCA)(C 9 H 6 NO) 2 (s) + 2CCl 3 COOH(s) + 3H 2 O(l), were studied by classical solution calorimetry at 298.15 K. The molar dissolution enthalpies of the reactants and the products in certain solvent (the first reaction in 1 mol/l HCl, the second in a mixed solution consisting of absolute ethyl alcohol, dimethyl sulfoxide and 4 mol/l HCl) have been measured by using an isoperibolic calorimeter at 298.15 K. From the results and other auxiliary quantities, the standard molar formation enthalpies of [Ce(TCA) 3 ·3H 2 O, s, 298.15 K] and [Ce(TCA)(C 9 H 6 NO) 2 , s, 298.15 K] were determined to be Δ f H m θ [Ce(TCA) 3 ·3H 2 O, s, 298.15 K] = -3059.9 kJ/mol and Δ f H m θ [Ce(TCA)(C 9 H 6 NO) 2 , s, 298.15 K] = -1368.9 kJ/mol

Actinide cation-cation complexes

International Nuclear Information System (INIS)

Stoyer, N.J.; Seaborg, G.T.

1994-12-01

The +5 oxidation state of U, Np, Pu, and Am is a linear dioxo cation (AnO 2 + ) with a formal charge of +1. These cations form complexes with a variety of other cations, including actinide cations. Other oxidation states of actinides do not form these cation-cation complexes with any cation other than AnO 2 + ; therefore, cation-cation complexes indicate something unique about AnO 2 + cations compared to actinide cations in general. The first cation-cation complex, NpO 2 + ·UO 2 2+ , was reported by Sullivan, Hindman, and Zielen in 1961. Of the four actinides that form AnO 2 + species, the cation-cation complexes of NpO 2 + have been studied most extensively while the other actinides have not. The only PuO 2 + cation-cation complexes that have been studied are with Fe 3+ and Cr 3+ and neither one has had its equilibrium constant measured. Actinides have small molar absorptivities and cation-cation complexes have small equilibrium constants; therefore, to overcome these obstacles a sensitive technique is required. Spectroscopic techniques are used most often to study cation-cation complexes. Laser-Induced Photacoustic Spectroscopy equilibrium constants for the complexes NpO 2 + ·UO 2 2+ , NpO 2 + ·Th 4+ , PuO 2 + ·UO 2 2+ , and PuO 2 + ·Th 4+ at an ionic strength of 6 M using LIPAS are 2.4 ± 0.2, 1.8 ± 0.9, 2.2 ± 1.5, and ∼0.8 M -1

[Efficacy of albendazole chitosan microspheres against Echinococcus granulosus infection in mice].

Science.gov (United States)

Liang, Wen; Wang, Xin-Chun; Wu, Xiang-Wei; Zhang, Shi-Jie; Sun, Hong; Ma, Xin; Peng, Xin-Yu

2014-06-01

To observe the therapeutic effect of albendazole chitosan microspheres (ABZ-CS-MPs) on cystic echinococcosis in mice. Two hundred male kunming mice were each infected by intraperitoneal inoculation of about 5 000 viable protoscoleces of Echinococcus granulosus. Another 20 mice were kept as blank control. After 12 weeks post infection, the mice were randomly divided into four groups named as infection control group (n = 20), ABZ-CS-MPs group, albendazole liposome (L-ABZ) group, and albendazole tablet group. The latter three treatment groups were then each divided into three subgroups (n = 20) by given the dose of 37.5, 75.0, and 150.0 mg/kg for three times per week, respectively. After 12 weeks of treatment, all mice were sacrificed. The weight of hydatid cysts was measured and the inhibition rate were calculated. Mouse liver was observed. The histopathological changes of E. granulosus were observed by microscopy. The concentration of albendazole sulfoxide in plasma and liver tissues was determined by high-performance liquid chromatography. Compared with the other treatment groups, the turbidity of contained fluid, the consolidation level and calcification level of hydatid cysts in ABZ-CS-MPs group were higher. The average weight of hydatid cysts in each treatment group was lower than that of infection control group [(3.19 +/- 2.94) g] (P albendazole tablet groups [(0.77 +/- 0.74), (0.55 +/- 0.42), (0.76 +/- 0.35) g] (P albendazole tablet group (Palbendazole sulfoxide in 75.0 and 150.0 mg/kg ABZ-CS-MPs sub-groups [(0.83 +/- 0.39), (0.80 +/- 0.5) microg/ml] were higher than that of L-ABZ sub-groups [(0.34 +/- 0.03), (0.43 +/- 0.15) microg/ml] and albendazole tablet sub-groups [(0.31 +/- 0.02), (0.40 +/- 0.10) microg/ml] (P albendazole tablet sub-groups [(0.04 +/- 0.02), (0.07 +/- 0.04), (0.04 +/- 0.0) microg/g], the albendazole sulfoxide concentration in liver tissue was higher in ABZ-CS-MPs sub-groups [(0.33 +/- 0.06), (0.45 +/- 0.31), (0.50 +/- 0.30) microg/g] (P

Conducting metal dithiolate complexes

DEFF Research Database (Denmark)

Underhill, A. E.; Ahmad, M. M.; Turner, D. J.

1985-01-01

Further work on the chemical composition of the one-dimensional metallic metal dithiolene complex Li-Pt(mnt) is reported. The electrical conduction and thermopower properties of the nickel and palladium complexes are reported and compared with those of the platinum compound......Further work on the chemical composition of the one-dimensional metallic metal dithiolene complex Li-Pt(mnt) is reported. The electrical conduction and thermopower properties of the nickel and palladium complexes are reported and compared with those of the platinum compound...

Curcumin complexation with cyclodextrins by the autoclave process: Method development and characterization of complex formation.

Science.gov (United States)

Hagbani, Turki Al; Nazzal, Sami

2017-03-30

One approach to enhance curcumin (CUR) aqueous solubility is to use cyclodextrins (CDs) to form inclusion complexes where CUR is encapsulated as a guest molecule within the internal cavity of the water-soluble CD. Several methods have been reported for the complexation of CUR with CDs. Limited information, however, is available on the use of the autoclave process (AU) in complex formation. The aims of this work were therefore to (1) investigate and evaluate the AU cycle as a complex formation method to enhance CUR solubility; (2) compare the efficacy of the AU process with the freeze-drying (FD) and evaporation (EV) processes in complex formation; and (3) confirm CUR stability by characterizing CUR:CD complexes by NMR, Raman spectroscopy, DSC, and XRD. Significant differences were found in the saturation solubility of CUR from its complexes with CD when prepared by the three complexation methods. The AU yielded a complex with expected chemical and physical fingerprints for a CUR:CD inclusion complex that maintained the chemical integrity and stability of CUR and provided the highest solubility of CUR in water. Physical and chemical characterizations of the AU complexes confirmed the encapsulated of CUR inside the CD cavity and the transformation of the crystalline CUR:CD inclusion complex to an amorphous form. It was concluded that the autoclave process with its short processing time could be used as an alternate and efficient methods for drug:CD complexation. Copyright © 2017 Elsevier B.V. All rights reserved.

Complex analysis

CERN Document Server

Freitag, Eberhard

2005-01-01

The guiding principle of this presentation of ``Classical Complex Analysis'' is to proceed as quickly as possible to the central results while using a small number of notions and concepts from other fields. Thus the prerequisites for understanding this book are minimal; only elementary facts of calculus and algebra are required. The first four chapters cover the essential core of complex analysis: - differentiation in C (including elementary facts about conformal mappings) - integration in C (including complex line integrals, Cauchy's Integral Theorem, and the Integral Formulas) - sequences and series of analytic functions, (isolated) singularities, Laurent series, calculus of residues - construction of analytic functions: the gamma function, Weierstrass' Factorization Theorem, Mittag-Leffler Partial Fraction Decomposition, and -as a particular highlight- the Riemann Mapping Theorem, which characterizes the simply connected domains in C. Further topics included are: - the theory of elliptic functions based on...

Complexes and imagination.

Science.gov (United States)

Kast, Verena

2014-11-01

Fantasies as imaginative activities are seen by Jung as expressions of psychic energy. In the various descriptions of active imagination the observation of the inner image and the dialogue with inner figures, if possible, are important. The model of symbol formation, as Jung describes it, can be experienced in doing active imagination. There is a correspondence between Jung's understanding of complexes and our imaginations: complexes develop a fantasy life. Complex episodes are narratives of difficult dysfunctional relationship episodes that have occurred repeatedly and are internalized with episodic memory. This means that the whole complex episode (the image for the child and the image for the aggressor, connected with emotions) is internalized and can get constellated in everyday relationship. Therefore inner dialogues do not necessarily qualify as active imaginations, often they are the expression of complex-episodes, very similar to fruitless soliloquies. If imaginations of this kind are repeated, new symbols and new possibilities of behaviour are not found. On the contrary, old patterns of behaviour and fantasies are perpetuated and become cemented. Imaginations of this kind need an intervention by the analyst. In clinical examples different kinds of imaginations are discussed. © 2014, The Society of Analytical Psychology.

Leading healthcare in complexity.

Science.gov (United States)

Cohn, Jeffrey

2014-12-01

Healthcare institutions and providers are in complexity. Networks of interconnections from relationships and technology create conditions in which interdependencies and non-linear dynamics lead to surprising, unpredictable outcomes. Previous effective approaches to leadership, focusing on top-down bureaucratic methods, are no longer effective. Leading in complexity requires leaders to accept the complexity, create an adaptive space in which innovation and creativity can flourish and then integrate the successful practices that emerge into the formal organizational structure. Several methods for doing adaptive space work will be discussed. Readers will be able to contrast traditional leadership approaches with leading in complexity. They will learn new behaviours that are required of complexity leaders, along with challenges they will face, often from other leaders within the organization.

Analysis and control of complex dynamical systems robust bifurcation, dynamic attractors, and network complexity

CERN Document Server

Imura, Jun-ichi; Ueta, Tetsushi

2015-01-01

This book is the first to report on theoretical breakthroughs on control of complex dynamical systems developed by collaborative researchers in the two fields of dynamical systems theory and control theory. As well, its basic point of view is of three kinds of complexity: bifurcation phenomena subject to model uncertainty, complex behavior including periodic/quasi-periodic orbits as well as chaotic orbits, and network complexity emerging from dynamical interactions between subsystems. Analysis and Control of Complex Dynamical Systems offers a valuable resource for mathematicians, physicists, and biophysicists, as well as for researchers in nonlinear science and control engineering, allowing them to develop a better fundamental understanding of the analysis and control synthesis of such complex systems.

Modified projective synchronization with complex scaling factors of uncertain real chaos and complex chaos

International Nuclear Information System (INIS)

Zhang Fang-Fang; Liu Shu-Tang; Yu Wei-Yong

2013-01-01

To increase the variety and security of communication, we present the definitions of modified projective synchronization with complex scaling factors (CMPS) of real chaotic systems and complex chaotic systems, where complex scaling factors establish a link between real chaos and complex chaos. Considering all situations of unknown parameters and pseudo-gradient condition, we design adaptive CMPS schemes based on the speed-gradient method for the real drive chaotic system and complex response chaotic system and for the complex drive chaotic system and the real response chaotic system, respectively. The convergence factors and dynamical control strength are added to regulate the convergence speed and increase robustness. Numerical simulations verify the feasibility and effectiveness of the presented schemes. (general)

Selenophene transition metal complexes

Energy Technology Data Exchange (ETDEWEB)

White, Carter James [Iowa State Univ., Ames, IA (United States)

1994-07-27

This research shows that selenophene transition metal complexes have a chemistry that is similar to their thiophene analogs. Selenophene coordination has been demonstrated and confirmed by molecular structure in both the η⁵- and the η¹(Se)-coordination modes. The reaction chemistry of selenophene complexes closely resembles that of the analogous thiophene complexes. One major difference, however, is that selenophene is a better donor ligand than thiophene making the selenophene complexes more stable than the corresponding thiophene complexes. The ⁷⁷Se NMR chemical shift values for selenophene complexes fall within distinct regions primarily depending on the coordination mode of the selenophene ligand. In the final paper, the C-H bond activation of η¹(S)-bound thiophenes, η¹(S)-benzothiophene and η¹(Se)-bound selenophenes has been demonstrated. The deprotonation and rearrangement of the η¹(E)-bound ligand to the carbon bound L-yl complex readily occurs in the presence of base. Reprotonation with a strong acid gives a carbene complex that is unreactive towards nucleophilic attack at the carbene carbon and is stable towards exposure to air. The molecular structure of [Cp(NO)(PPh₃)Re(2-benzothioenylcarbene)]O₃SCF₃ was determined and contains a Re-C bond with substantial double bond character. Methyl substitution for the thienylcarbene or selenylcarbene gives a carbene that rearranges thermally to give back the η¹(E)-bound complex. Based on these model reactions, a new mechanism for the H/D exchange of thiophene over the hydrodesulfurization catalyst has been proposed.

Photocytotoxic lanthanide complexes

Indian Academy of Sciences (India)

Among many applications of lanthanides, gadolinium complexes are used as magnetic resonance imaging (MRI) contrast agents in clinical radiology and luminescent lanthanides for bioanalysis, imaging and sensing. The chemistry of photoactive lanthanide complexes showing biological applications is of recent origin.

Physical Complexity and Cognitive Evolution

Science.gov (United States)

Jedlicka, Peter

Our intuition tells us that there is a general trend in the evolution of nature, a trend towards greater complexity. However, there are several definitions of complexity and hence it is difficult to argue for or against the validity of this intuition. Christoph Adami has recently introduced a novel measure called physical complexity that assigns low complexity to both ordered and random systems and high complexity to those in between. Physical complexity measures the amount of information that an organism stores in its genome about the environment in which it evolves. The theory of physical complexity predicts that evolution increases the amount of `knowledge' an organism accumulates about its niche. It might be fruitful to generalize Adami's concept of complexity to the entire evolution (including the evolution of man). Physical complexity fits nicely into the philosophical framework of cognitive biology which considers biological evolution as a progressing process of accumulation of knowledge (as a gradual increase of epistemic complexity). According to this paradigm, evolution is a cognitive `ratchet' that pushes the organisms unidirectionally towards higher complexity. Dynamic environment continually creates problems to be solved. To survive in the environment means to solve the problem, and the solution is an embodied knowledge. Cognitive biology (as well as the theory of physical complexity) uses the concepts of information and entropy and views the evolution from both the information-theoretical and thermodynamical perspective. Concerning humans as conscious beings, it seems necessary to postulate an emergence of a new kind of knowledge - a self-aware and self-referential knowledge. Appearence of selfreflection in evolution indicates that the human brain reached a new qualitative level in the epistemic complexity.

Functionalized active-nucleus complex sensor

Science.gov (United States)

Pines, Alexander; Wemmer, David E.; Spence, Megan; Rubin, Seth

2003-11-25

A functionalized active-nucleus complex sensor that selectively associates with one or more target species, and a method for assaying and screening for one or a plurality of target species utilizing one or a plurality of functionalized active-nucleus complexes with at least two of the functionalized active-nucleus complexes having an attraction affinity to different corresponding target species. The functionalized active-nucleus complex has an active-nucleus and a targeting carrier. The method involves functionalizing an active-nucleus, for each functionalized active-nucleus complex, by incorporating the active-nucleus into a macromolucular or molecular complex that is capable of binding one of the target species and then bringing the macromolecular or molecular complexes into contact with the target species and detecting the occurrence of or change in a nuclear magnetic resonance signal from each of the active-nuclei in each of the functionalized active-nucleus complexes.

Complex Neutrosophic Subsemigroups and Ideals

Directory of Open Access Journals (Sweden)

Muhammad Gulistan

2018-01-01

Full Text Available In this article we study the idea of complex neutrosophic subsemigroups. We define the Cartesian product of complex neutrosophic subsemigroups, give some examples and study some of its related results. We also define complex neutrosophic (left, right, interior ideal in semigroup. Furthermore, we introduce the concept of characteristic function of complex neutrosophic sets, direct product of complex neutrosophic sets and study some results prove on its.

Transition Complexity of Incomplete DFAs

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Yuan Gao

2010-08-01

Full Text Available In this paper, we consider the transition complexity of regular languages based on the incomplete deterministic finite automata. A number of results on Boolean operations have been obtained. It is shown that the transition complexity results for union and complementation are very different from the state complexity results for the same operations. However, for intersection, the transition complexity result is similar to that of state complexity.

Subsumed complexity: abiogenesis as a by-product of complex energy transduction

Science.gov (United States)

Adam, Z. R.; Zubarev, D.; Aono, M.; Cleaves, H. James

2017-11-01

The origins of life bring into stark relief the inadequacy of our current synthesis of thermodynamic, chemical, physical and information theory to predict the conditions under which complex, living states of organic matter can arise. Origins research has traditionally proceeded under an array of implicit or explicit guiding principles in lieu of a universal formalism for abiogenesis. Within the framework of a new guiding principle for prebiotic chemistry called subsumed complexity, organic compounds are viewed as by-products of energy transduction phenomena at different scales (subatomic, atomic, molecular and polymeric) that retain energy in the form of bonds that inhibit energy from reaching the ground state. There is evidence for an emergent level of complexity that is overlooked in most conceptualizations of abiogenesis that arises from populations of compounds formed from atomic energy input. We posit that different forms of energy input can exhibit different degrees of dissipation complexity within an identical chemical medium. By extension, the maximum capacity for organic chemical complexification across molecular and macromolecular scales subsumes, rather than emerges from, the underlying complexity of energy transduction processes that drive their production and modification. This article is part of the themed issue 'Reconceptualizing the origins of life'.

Spectroscopy of plutonium-organic complexes

International Nuclear Information System (INIS)

Richmann, M.K.; Reed, D.T.

1995-01-01

Information on the spectroscopy of plutonium-organic complexes is needed to help establish the speciation of these complexes under environmentally relevant conditions. Laser photoacoustic spectroscopy (LPAS) and absorption spectrometry were used to characterize the Pu(IV)-citrate and Pu(IV)-nitrilotriacetic acid (NTA) complexes at concentrations of 10 -3 --10 -7 M in aqueous solution. Good agreement was observed between the band shape of the LPAS and absorption spectra for the Pu(IV)-NTA complex. Agreement for the Pu(IV)-citrate complex was not quite as good. In both cases, a linear dependence of the LPAS signal on laser power and total concentration of the complexes was noted. This work is part of an ongoing research effort to study key subsurface interactions of plutonium-organic complexes

Complex Networks IX

CERN Document Server

Coronges, Kate; Gonçalves, Bruno; Sinatra, Roberta; Vespignani, Alessandro; Proceedings of the 9th Conference on Complex Networks; CompleNet 2018

2018-01-01

This book aims to bring together researchers and practitioners working across domains and research disciplines to measure, model, and visualize complex networks. It collects the works presented at the 9th International Conference on Complex Networks (CompleNet) 2018 in Boston, MA in March, 2018. With roots in physical, information and social science, the study of complex networks provides a formal set of mathematical methods, computational tools and theories to describe prescribe and predict dynamics and behaviors of complex systems. Despite their diversity, whether the systems are made up of physical, technological, informational, or social networks, they share many common organizing principles and thus can be studied with similar approaches. This book provides a view of the state-of-the-art in this dynamic field and covers topics such as group decision-making, brain and cellular connectivity, network controllability and resiliency, online activism, recommendation systems, and cyber security.

Hexakis(dimethyl sulfoxide-κOchromium(III trichloride

Directory of Open Access Journals (Sweden)

Turganbay S. Iskenderov

2008-07-01

Full Text Available In the title compound, [Cr(C2H6OS6]Cl3, each CrIII ion is located on a three-fold inversion axis and is coordinated by six dimethylsulfoxide ligands [Cr—O = 1.970 (2–1.972 (2 Å; O—Cr—O = 88.19 (9 and 91.81 (9°] in a slightly distorted octahedral geometry. The Cl− anions take part in the formation of weak C—H...Cl hydrogen bonds, which contribute to the crystal packing stabilization.

What is complex in the complex world? Niklas Luhmann and the theory of social systems

Directory of Open Access Journals (Sweden)

Clarissa Eckert Baeta Neves

Full Text Available This paper discusses Niklas Luhmann's understanding of complexity, its function in the theory and the different ways of its use. It starts with the paradigmatic change that occurred in the field of general Science, with the rupture of the Newtonian model. In the 20th century, the paradigm of order, symmetry, regularity, regulation of the intellect to things, collapses.Based on new formulations of Physics, Chemistry, etc., a new universe is built on bases radically opposed to those of modern Science.Chaos, the procedural irreversibility, indeterminism, the observer and the complexity are rehabilitated.This new conceptual context served as substratum to Niklas Luhmann's theoretical reflection.With his Theory of Social Systems, he proposes the reduction of the world's complexity.Social systems have the function of reducing complexity because of their difference in relation to the environment.On the other hand, the reduction of complexity also creates its own complexity. Luhmann defines complexity as the moment when it is not possible anymore for each element to relate at any moment with all the others. Complexity forces the selection, what means contingency and risk. Luhmann expands the concept of complexity when he introduces the figure of the observer and the distinction of complexity as a unit of a multiplicity. He also deals with the limit of relations in connection, the time factor, the self-reference of operations and the representation of complexity in the form of sense. To conclude, the paper discusses the complexity in the system of science, the way it reduces internal and external complexity, in accordance in its own operative basis.

Complexity Leadership: A Theoretical Perspective

Science.gov (United States)

Baltaci, Ali; Balci, Ali

2017-01-01

Complex systems are social networks composed of interactive employees interconnected through collaborative, dynamic ties such as shared goals, perspectives and needs. Complex systems are largely based on "the complex system theory". The complex system theory focuses mainly on finding out and developing strategies and behaviours that…

Organotin complexes with phosphines

International Nuclear Information System (INIS)

Passos, B. de F.T.; Jesus Filho, M.F. de; Filgueiras, C.A.L.; Abras, A.

1988-01-01

A series of organotin complexes was prepared involving phosphines bonded to the organotin moiety. The series include derivatives of SnCl x Ph 4-x (where x varied from zero to four with the phosphines Ph 3 P, (Ph 2 P)CH 2 , (Ph 2 P) 2 (CH 2 ) 2 , cis-(Ph 2 P)CH 2 , and CH 3 C(CH 2 PPh 2 ) 3 . A host of new complexes was obtained, showing different stoichiometries, bonding modes, and coordination numbers around the tin atom. These complexes were characterized by several different chemical and physical methods. The 119 Sn Moessbauer parameters varied differently. Whereas isomer shift values did not great variation for each group of complexs with the same organotin parent (SnCl x Ph 4-x ), reflecting a small change in s charge distribution on the Sn atom upon complexation, quadrupole splitting results varied widely, however, when the parent organotin compound was wholly symmetric (SnCl 4 and SnPPh 4 ), the complexes also tended to show quadrupole splitting values approaching zero. (author)

Nuclear weapons complex

International Nuclear Information System (INIS)

Rezendes, V.S.

1992-04-01

In addition to long-standing safety and environmental problems plaguing the nuclear weapons complex, this paper reports that the Department of Energy (DOE) faces a major new challenge-how to reconfigure the weapons complex to meet the nation's defense needs in the 21st century. Key decisions still need to be made about the size of the complex; where, if necessary, to relocate various operations; what technologies to use for new tritium production; and what to do with excess weapons-grade material. The choices confronting DOE and Congress are difficult given the conflicting demands for limited resources

The Orion complex

International Nuclear Information System (INIS)

Goudis, C.

1982-01-01

This work deals with some of the most typical complexes of interstellar matter and presents a holistic view of the well studied complexes in Orion, built on information derived from various branches of modern astrophysics. A wealth of published data is presented in the form of photographs, contour maps, diagrams and numerous heavily annotated tables. Chapter 1, which is concerned with the large scale view of the Orion region, outlines the morphology of the area and examines in particular the nature of Barnard's Loop and the associated filamentary structure in addition to the origin of the I Orion OB association. Chapter 2 focuses on the Great Orion Nebula (M42 or NGC 1976) and the small H II region to the north (M43 or NGC 1982). Chapter 3 examines the Orion Complex as a whole, i.e. the H II regions M42 and M43, the associated molecular clouds OMC 1 and OMC 2 and their interrelations. Chapter 4 contains a discussion of the empirical models introduced to attempt to explain certain aspects of this very complex region, and chapter 5 investigates the second prominent H II region and molecular cloud complex, NGC 2024 (Orion B, W12). (Auth.)

Algorithmic Relative Complexity

Directory of Open Access Journals (Sweden)

Daniele Cerra

2011-04-01

Full Text Available Information content and compression are tightly related concepts that can be addressed through both classical and algorithmic information theories, on the basis of Shannon entropy and Kolmogorov complexity, respectively. The definition of several entities in Kolmogorov’s framework relies upon ideas from classical information theory, and these two approaches share many common traits. In this work, we expand the relations between these two frameworks by introducing algorithmic cross-complexity and relative complexity, counterparts of the cross-entropy and relative entropy (or Kullback-Leibler divergence found in Shannon’s framework. We define the cross-complexity of an object x with respect to another object y as the amount of computational resources needed to specify x in terms of y, and the complexity of x related to y as the compression power which is lost when adopting such a description for x, compared to the shortest representation of x. Properties of analogous quantities in classical information theory hold for these new concepts. As these notions are incomputable, a suitable approximation based upon data compression is derived to enable the application to real data, yielding a divergence measure applicable to any pair of strings. Example applications are outlined, involving authorship attribution and satellite image classification, as well as a comparison to similar established techniques.

Effect of Turkish pollen and propolis extracts on caspase-3 activity in ...

African Journals Online (AJOL)

... the apoptosis-inducing capacity of dimethyl sulfoxide (DMSO) extracts of bee ... Methods: DMSO extracts of pollen and propolis were incubated separately with ... International Pharmaceutical Abstract, Chemical Abstracts, Embase, Index ...

Embracing uncertainty, managing complexity: applying complexity thinking principles to transformation efforts in healthcare systems.

Science.gov (United States)

Khan, Sobia; Vandermorris, Ashley; Shepherd, John; Begun, James W; Lanham, Holly Jordan; Uhl-Bien, Mary; Berta, Whitney

2018-03-21

Complexity thinking is increasingly being embraced in healthcare, which is often described as a complex adaptive system (CAS). Applying CAS to healthcare as an explanatory model for understanding the nature of the system, and to stimulate changes and transformations within the system, is valuable. A seminar series on systems and complexity thinking hosted at the University of Toronto in 2016 offered a number of insights on applications of CAS perspectives to healthcare that we explore here. We synthesized topics from this series into a set of six insights on how complexity thinking fosters a deeper understanding of accepted ideas in healthcare, applications of CAS to actors within the system, and paradoxes in applications of complexity thinking that may require further debate: 1) a complexity lens helps us better understand the nebulous term "context"; 2) concepts of CAS may be applied differently when actors are cognizant of the system in which they operate; 3) actor responses to uncertainty within a CAS is a mechanism for emergent and intentional adaptation; 4) acknowledging complexity supports patient-centred intersectional approaches to patient care; 5) complexity perspectives can support ways that leaders manage change (and transformation) in healthcare; and 6) complexity demands different ways of implementing ideas and assessing the system. To enhance our exploration of key insights, we augmented the knowledge gleaned from the series with key articles on complexity in the literature. Ultimately, complexity thinking acknowledges the "messiness" that we seek to control in healthcare and encourages us to embrace it. This means seeing challenges as opportunities for adaptation, stimulating innovative solutions to ensure positive adaptation, leveraging the social system to enable ideas to emerge and spread across the system, and even more important, acknowledging that these adaptive actions are part of system behaviour just as much as periods of stability are. By

Complexity in practice: understanding primary care as a complex adaptive system

Directory of Open Access Journals (Sweden)

Beverley Ellis

2010-06-01

Conclusions The results are real-world exemplars of the emergent properties of complex adaptive systems. Improving clinical governance in primary care requires both complex social interactions and underpinning informatics. The socio-technical lessons learned from this research should inform future management approaches.

Shapes of interacting RNA complexes

DEFF Research Database (Denmark)

Fu, Benjamin Mingming; Reidys, Christian

2014-01-01

Shapes of interacting RNA complexes are studied using a filtration via their topological genus. A shape of an RNA complex is obtained by (iteratively) collapsing stacks and eliminating hairpin loops.This shape-projection preserves the topological core of the RNA complex and for fixed topological...... genus there are only finitely many such shapes. Our main result is a new bijection that relates the shapes of RNA complexes with shapes of RNA structures. This allows to compute the shape polynomial of RNA complexes via the shape polynomial of RNA structures. We furthermore present a linear time uniform...... sampling algorithm for shapes of RNA complexes of fixed topological genus....

Technetium-aspirin molecule complexes

International Nuclear Information System (INIS)

El-Shahawy, A.S.; Mahfouz, R.M.; Aly, A.A.M.; El-Zohry, M.

1993-01-01

Technetium-aspirin and technetium-aspirin-like molecule complexes were prepared. The structure of N-acetylanthranilic acid (NAA) has been decided through CNDO calculations. The ionization potential and electron affinity of the NAA molecule as well as the charge densities were calculated. The electronic absorption spectra of Tc(V)-Asp and Tc(V)-ATS complexes have two characteristic absorption bands at 450 and 600 nm, but the Tc(V)-NAA spectrum has one characteristic band at 450 nm. As a comparative study, Mo-ATS complex was prepared and its electronic absorption spectrum is comparable with the Tc-ATS complex spectrum. (author)

The pervasive reach of resource-bounded Kolmogorov complexity in computational complexity theory

Czech Academy of Sciences Publication Activity Database

Allender, E.; Koucký, Michal; Ronneburger, D.; Roy, S.

2011-01-01

Roč. 77, č. 1 (2011), s. 14-40 ISSN 0022-0000 R&D Projects: GA ČR GAP202/10/0854; GA MŠk(CZ) 1M0545; GA AV ČR IAA100190902 Institutional research plan: CEZ:AV0Z10190503 Keywords : Circuit complexity * Distinguishing complexity * FewEXP * Formula size * Kolmogorov complexity Subject RIV: BA - General Mathematics Impact factor: 1.157, year: 2011 http://www.sciencedirect.com/science/article/pii/S0022000010000887

Intakes of whey protein hydrolysate and whole whey proteins are discriminated by LC-MS metabolomics

DEFF Research Database (Denmark)

Stanstrup, Jan; Rasmussen, Jakob Ewald; Ritz, Christian

2014-01-01

of four different whey protein fractions and establishes new hypotheses for the observed effects. Obese, non-diabetic subjects were included in the randomized, blinded, cross-over meal study. Subjects ingested a high-fat meal containing whey isolate (WI), whey concentrate hydrolysate (WH), α...... of the meals. Highly elevated plasma levels of a number of cyclic dipeptides and other AA metabolites were found following intake of the WH meal and these metabolites are primary candidates to explain the superior insulinotropic effect of WH. The manufacturing process of WH caused oxidization of methionine...... to methionine sulfoxide which in turn caused in vivo generation of N-phenylacetyl-methionine and N-phenylacetyl-methionine sulfoxide. These two compounds have not previously been described in biological systems....

New and convenient synthesis of 2-deoxy-D-ribose from 2,4-O-ethylidene-D-erythrose

Energy Technology Data Exchange (ETDEWEB)

Hauske, J.R.; Rapoport, H.

1979-01-01

A new synthesis is described of 2-deoxy-D-erythro-pentose (2-deoxy-D-ribose,2-deoxy-D-arabinose (1)), starting from D-glucose. The synthesis proceeds through direct olefination of 2,4-O-ethylidene-D-erythrose (2) by addition of the stabilized ylides generated from dimethylphosphorylmethyl phenyl sulfide (4) and the corresponding sulfoxide 5. These afford the key intermediates, thio-enol ether 7 and ..cap alpha..,..beta..-unsaturated sulfoxide 8, which when subjected to mercuric ion assisted hydrolysis gave high yields of 2-deoxy-D-ribose (1). This facile chain extension of 2 required its existance as a monomer, and conditions effective for obtaining the monomer have been developed. Detailed /sup 1/H and /sup 13/C NMR studies of these compounds are presented.

Oxidation of methionine by tetraethylammonium chlorochromate in non-aqueous media – A kinetic and mechanistic study

Directory of Open Access Journals (Sweden)

S. Sheik Mansoor

2015-07-01

Full Text Available The kinetics of oxidation of methionine (Met by tetraethylammonium chlorochromate (TEACC in dimethyl sulfoxide (DMSO leads to the formation of the corresponding sulfoxide. The reaction is first order each in Met and TEACC. The reaction is catalyzed by hydrogen ions. The hydrogen ion dependence has the form : kobs = a + b [H+]. The reaction rate has been determined at different temperatures and activation parameters are calculated. The solvent effect has been analyzed using Kamlet’s multi parametric equation. A correlation of data with Kamlet–Taft solvatochromic parameters (α, β, π∗ suggests that the specific solute–solvent interactions play a major role in governing the reactivity. The reaction does not induce polymerization of acrylonitrile. A suitable mechanism has been proposed.

Spectral simplicity of apparent complexity. II. Exact complexities and complexity spectra

Science.gov (United States)

Riechers, Paul M.; Crutchfield, James P.

2018-03-01

The meromorphic functional calculus developed in Part I overcomes the nondiagonalizability of linear operators that arises often in the temporal evolution of complex systems and is generic to the metadynamics of predicting their behavior. Using the resulting spectral decomposition, we derive closed-form expressions for correlation functions, finite-length Shannon entropy-rate approximates, asymptotic entropy rate, excess entropy, transient information, transient and asymptotic state uncertainties, and synchronization information of stochastic processes generated by finite-state hidden Markov models. This introduces analytical tractability to investigating information processing in discrete-event stochastic processes, symbolic dynamics, and chaotic dynamical systems. Comparisons reveal mathematical similarities between complexity measures originally thought to capture distinct informational and computational properties. We also introduce a new kind of spectral analysis via coronal spectrograms and the frequency-dependent spectra of past-future mutual information. We analyze a number of examples to illustrate the methods, emphasizing processes with multivariate dependencies beyond pairwise correlation. This includes spectral decomposition calculations for one representative example in full detail.

Complexity of formation in holography

International Nuclear Information System (INIS)

Chapman, Shira; Marrochio, Hugo; Myers, Robert C.

2017-01-01

It was recently conjectured that the quantum complexity of a holographic boundary state can be computed by evaluating the gravitational action on a bulk region known as the Wheeler-DeWitt patch. We apply this complexity=action duality to evaluate the ‘complexity of formation’ (DOI: 10.1103/PhysRevLett.116.191301; 10.1103/PhysRevD.93.086006), i.e. the additional complexity arising in preparing the entangled thermofield double state with two copies of the boundary CFT compared to preparing the individual vacuum states of the two copies. We find that for boundary dimensions d>2, the difference in the complexities grows linearly with the thermal entropy at high temperatures. For the special case d=2, the complexity of formation is a fixed constant, independent of the temperature. We compare these results to those found using the complexity=volume duality.

Complexity of formation in holography

Energy Technology Data Exchange (ETDEWEB)

Chapman, Shira [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Marrochio, Hugo [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Department of Physics & Astronomy and Guelph-Waterloo Physics Institute,University of Waterloo, Waterloo, ON N2L 3G1 (Canada); Myers, Robert C. [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada)

2017-01-16

It was recently conjectured that the quantum complexity of a holographic boundary state can be computed by evaluating the gravitational action on a bulk region known as the Wheeler-DeWitt patch. We apply this complexity=action duality to evaluate the ‘complexity of formation’ (DOI: 10.1103/PhysRevLett.116.191301; 10.1103/PhysRevD.93.086006), i.e. the additional complexity arising in preparing the entangled thermofield double state with two copies of the boundary CFT compared to preparing the individual vacuum states of the two copies. We find that for boundary dimensions d>2, the difference in the complexities grows linearly with the thermal entropy at high temperatures. For the special case d=2, the complexity of formation is a fixed constant, independent of the temperature. We compare these results to those found using the complexity=volume duality.

Lanthanide complexes with pivaloylacetone

International Nuclear Information System (INIS)

Eliseeva, S.V.; Chugarov, N.V.; Kuz'mina, N.P.; Martynenko, L.I.; Nichiporuk, R.V.; Ivanov, S.A.

2003-01-01

Complexes Ln(pa) 3 ·2H 2 O (Ln=La, Gd, Lu, Hpa - pivaloylacetone) are synthesized and investigated by the methods of element, IR spectroscopic and thermal analyses. Behaviour of the complexes during heating in vacuum is compared with such one for acetylacetonates and dipivaloylmethanates. Structure of the complexes in solution is studied by 1 H NMR and MALDI-MS [ru

Complexity Control of Fast Motion Estimation in H.264/MPEG-4 AVC with Rate-Distortion-Complexity optimization

DEFF Research Database (Denmark)

Wu, Mo; Forchhammer, Søren; Aghito, Shankar Manuel

2007-01-01

A complexity control algorithm for H.264 advanced video coding is proposed. The algorithm can control the complexity of integer inter motion estimation for a given target complexity. The Rate-Distortion-Complexity performance is improved by a complexity prediction model, simple analysis of the pa...... statistics and a control scheme. The algorithm also works well for scene change condition. Test results for coding interlaced video (720x576 PAL) are reported.......A complexity control algorithm for H.264 advanced video coding is proposed. The algorithm can control the complexity of integer inter motion estimation for a given target complexity. The Rate-Distortion-Complexity performance is improved by a complexity prediction model, simple analysis of the past...

Aryldiazo complexes. Syntheses and reactions of new complexes of osmium and ruthenium

International Nuclear Information System (INIS)

Haymore, B.L.; Ibers, J.A.

1975-01-01

Aryldiazo complexes, [M(CO) 2 (NNPh)(PPh 3 ) 2 ][PF 6 ](M = Os, Ru; Ph = C 6 H 5 ), were prepared by allowing diazonium salts to react with M(CO) 3 (PPh 3 ) 2 . Infrared spectra of the Ru complex suggest the presence of two isomers both in solution and in the solid state. These complexes react with a variety of coordinating anions (X - ), to form MX(CO) 2 (NNPh)(PPh 3 ) 2 . The osmium derivatives have ν(NN) near 1455 cm -1 , which is the lowest value yet reported for a nonbridging aryldiazo ligand. The first aryldiazo--hydrido complexes, MH(CO) 2 (NNPh)(PPh 3 ) 2 and MH(CO)(NNPh)(PPh 3 ) 2 , were prepared by deprotonation of the respective phenyldiazene complexes, MH(CO) 2 (HNNPh)(PPh 3 ) 2 + and MH(CO)(HNNPh)(PPh 3 ) 3 + . The compound OsCl 3 (NNPh)(PPh 3 ) 2 was also prepared. A large number of the foregoing complexes were synthesized with selective 2 H and 15 N labels. Infrared and NMR spectra show MX(CO) 2 (NNPh)(PPh 3 ) 2 and the analogous hydrido complex to be pseudooctahedral with trans phosphine ligands, cis carbonyl ligands, and a doubly bent phenyldiazenido (NNPh - ) ligand. Similarly, MH(CO)(NNPh)(PPh 3 ) 2 possesses a trigonal-bipyramidal geometry with trans phosphine ligands and an equatorial, singly bent phenyldiazoniumato (NNPh + ) ligand. Isotopic substitution of the diazo ligand shows that ν(NN) is often vibrationally coupled with phenyl vibrational modes and that two or three bands sometimes shift upon 15 N substitution. Vibrational coupling was also observed in the higher energy region (1850 to 1900 cm -1 ) in the compound RuCl 3 (NNC 6 D 5 )(PPh 3 ) 2 . The wide range in the values of ν(NN), RuCl 3 (NNPh)(PPh 3 ) 2 (1882 cm -1 ) vs. RuCl(CO) 2 (NNPh)(PPh 3 ) 2 (1462 cm -1 ), indicates that the N--N stretching frequencies are sensitive to the electronic and steric environment of the diazo ligand. The aryldiazo complexes are compared with analogous, isoelectronic nitrosyl complexes of Os and Ru

Visual Short-Term Memory Complexity

DEFF Research Database (Denmark)

Sørensen, Thomas Alrik

of objective complexity, it seems that subjective complexity - which is dependent on the familiarity of the stimulus - plays a more important role than the objective visual complexity of the objects stored. In two studies, we explored how familiarity influences the capacity of VSTM. 1) In children learning...... and Cavanagh (2004) have raised the question that the capacity of VSTM is dependent on visual complexity rather than the number of objects. We hypothesise that VSTM capacity is dependent on both the objective and subjective complexity of visual stimuli. Contrary to Alvarez and Cavanagh, who argue for the role...... for letters and pictures remained similar. Our results indicate that VSTM capacity for familiar items is larger irrespective of visual complexity....

Complexity: Outline of the NWO strategic theme Dynamics of complex systems

NARCIS (Netherlands)

Burgers, G.; Doelman, A.; Frenken, K.; Hogeweg, P.; Hommes, C.; van der Maas, H.; Mulder, B.; Stam, K.; van Steen, M.; Zandee, L.

2008-01-01

Dynamics of complex systems is one of the program 5 themes in the NWO (Netherlands Organisation for Scientific Research) strategy for the years 2007-2011. The ambition of the current proposal is to initiate integrated activities in the field of complex systems within the Netherlands, to provide

Complexity : outline of the NWO strategic theme dynamics of complex systems

NARCIS (Netherlands)

Burgers, G.; Doelman, A.; Frenken, K.; Hogeweg, P.; Hommes, C.; Maas, van der H.; Mulder, B.; Stam, K.; Steen, van M.; Zandee, L.

2008-01-01

Dynamics of complex systems is one of the program 5 themes in the NWO (Netherlands Organisation for Scientific Research) strategy for the years 2007-2011. The ambition of the current proposal is to initiate integrated activities in the field of complex systems within the Netherlands, to provide

Coopetition and Complexity : Exploring a Coopetitive Relationship with Complexity

OpenAIRE

Wennberg, Andreas; Persson, Emil

2011-01-01

Cooperation have in previous research been seen as a negative impact on competition and  vice versa. This thesis is building on a concept called coopetition in which cooperation and  competition is studied simultaneously. Coopetition have been studied in terms of the level of  cooperation and competition. However, we found a possible link between coopetition and  complexity in previous literature. Thus, the purpose of this study is to explore whether  complexity can develop an understanding f...

Complexity and Control: Towards a Rigorous Behavioral Theory of Complex Dynamical Systems

Science.gov (United States)

Ivancevic, Vladimir G.; Reid, Darryn J.

We introduce our motive for writing this book on complexity and control with a popular "complexity myth," which seems to be quite wide spread among chaos and complexity theory fashionistas: quote>Low-dimensional systems usually exhibit complex behaviours (which we know fromMay's studies of the Logisticmap), while high-dimensional systems usually exhibit simple behaviours (which we know from synchronisation studies of the Kuramoto model)...quote> We admit that this naive view on complex (e.g., human) systems versus simple (e.g., physical) systems might seem compelling to various technocratic managers and politicians; indeed, the idea makes for appealing sound-bites. However, it is enough to see both in the equations and computer simulations of pendula of various degree - (i) a single pendulum, (ii) a double pendulum, and (iii) a triple pendulum - that this popular myth is plain nonsense. The only thing that we can learn from it is what every tyrant already knows: by using force as a strong means of control, it is possible to effectively synchronise even hundreds of millions of people, at least for a while.

Group 4 Metalloporphyrin diolato Complexes and Catalytic Application of Metalloporphyrins and Related Transition Metal Complexes

Energy Technology Data Exchange (ETDEWEB)

Du, Guodong [Iowa State Univ., Ames, IA (United States)

2003-01-01

In this work, the first examples of group 4 metalloporphyrin 1,2-diolato complexes were synthesized through a number of strategies. In general, treatment of imido metalloporphyrin complexes, (TTP)M=NR, (M = Ti, Zr, Hf), with vicinal diols led to the formation of a series of diolato complexes. Alternatively, the chelating pinacolate complexes could be prepared by metathesis of (TTP)MCl₂ (M = Ti, Hf) with disodium pinacolate. These complexes were found to undergo C-C cleavage reactions to produce organic carbonyl compounds. For titanium porphyrins, treatment of a titanium(II) alkyne adduct, (TTP)Ti(η²-PhC≡CPh), with aromatic aldehydes or aryl ketones resulted in reductive coupling of the carbonyl groups to produce the corresponding diolato complexes. Aliphatic aldehydes or ketones were not reactive towards (TTP)Ti(η²-PhC≡CPh). However, these carbonyl compounds could be incorporated into a diolato complex on reaction with a reactive precursor, (TTP)Ti[O(Ph)₂C(Ph)₂O] to provide unsymmetrical diolato complexes via cross coupling reactions. In addition, an enediolato complex (TTP)Ti(OCPhCPhO) was obtained from the reaction of (TTP)Ti(η²-PhC≡CPh) with benzoin. Titanium porphyrin diolato complexes were found to be intermediates in the (TTP)Ti=O-catalyzed cleavage reactions of vicinal diols, in which atmospheric oxygen was the oxidant. Furthermore, (TTP)Ti=O was capable of catalyzing the oxidation of benzyl alcohol and α-hydroxy ketones to benzaldehyde and α-diketones, respectively. Other high valent metalloporphyrin complexes also can catalyze the oxidative diol cleavage and the benzyl alcohol oxidation reactions with dioxygen. A comparison of Ti(IV) and Sn(IV) porphyrin chemistry was undertaken. While chelated diolato complexes were invariably obtained for titanium porphyrins on treatment with 1,2-diols, the reaction of vicinal diols with tin porphyrins gave a number of products, including mono

Thinking in complexity the complex dynamics of matter, mind, and mankind

CERN Document Server

Mainzer, Klaus

1994-01-01

The theory of nonlinear complex systems has become a successful and widely used problem-solving approach in the natural sciences - from laser physics, quantum chaos and meteorology to molecular modeling in chemistry and computer simulations of cell growth in biology In recent times it has been recognized that many of the social, ecological and political problems of mankind are also of a global, complex and nonlinear nature And one of the most exciting topics of present scientific and public interest is the idea that even the human mind is governed largely by the nonlinear dynamics of complex systems In this wide-ranging but concise treatment Prof Mainzer discusses, in nontechnical language, the common framework behind these endeavours Special emphasis is given to the evolution of new structures in natural and cultural systems and it is seen clearly how the new integrative approach of complexity theory can give new insights that were not available using traditional reductionistic methods

Clearing the complexity: immune complexes and their treatment in lupus nephritis

Directory of Open Access Journals (Sweden)

Catherine Toong

2011-01-01

Full Text Available Catherine Toong1, Stephen Adelstein1, Tri Giang Phan21Department of Clinical Immunology, Royal Prince Alfred Hospital, Missenden Rd, Camperdown, NSW, Australia; 2Immunology Program, Garvan Institute of Medical Research and St. Vincent’s Clinical School, University of New South Wales, Darlinghurst, NSW, AustraliaAbstract: Systemic lupus erythematosus (SLE is a classic antibody-mediated systemic autoimmune disease characterised by the development of autoantibodies to ubiquitous self-antigens (such as antinuclear antibodies and antidouble-stranded DNA antibodies and widespread deposition of immune complexes in affected tissues. Deposition of immune complexes in the kidney results in glomerular damage and occurs in all forms of lupus nephritis. The development of nephritis carries a poor prognosis and high risk of developing end-stage renal failure despite recent therapeutic advances. Here we review the role of DNA-anti-DNA immune complexes in the pathogenesis of lupus nephritis and possible new treatment strategies aimed at their control.Keywords: immune complex, systemic lupus erythematosus, nephritis, therapy

Oxidation of Helix-3 methionines precedes the formation of PK resistant PrP.

Directory of Open Access Journals (Sweden)

Tamar Canello

2010-07-01

Full Text Available While elucidating the peculiar epitope of the alpha-PrP mAb IPC2, we found that PrPSc exhibits the sulfoxidation of residue M213 as a covalent signature. Subsequent computational analysis predicted that the presence of sulfoxide groups at both Met residues 206 and 213 destabilize the alpha-fold, suggesting oxidation may facilitate the conversion of PrPC into PrPSc. To further study the effect of oxidation on prion formation, we generated pAbs to linear PrP peptides encompassing the Helix-3 region, as opposed to the non-linear complexed epitope of IPC2. We now show that pAbs, whose epitopes comprise Met residues, readily detected PrPC, but could not recognize most PrPSc bands unless they were vigorously reduced. Next, we showed that the alpha-Met pAbs did not recognize newly formed PrPSc, as is the case for the PK resistant PrP present in lines of prion infected cells. In addition, these reagents did not detect intermediate forms such as PK sensitive and partially aggregated PrPs present in infected brains. Finally, we show that PrP molecules harboring the pathogenic mutation E200K, which is linked to the most common form of familial CJD, may be spontaneously oxidized. We conclude that the oxidation of methionine residues in Helix-3 represents an early and important event in the conversion of PrPC to PrPSc. We believe that further investigation into the mechanism and role of PrP oxidation will be central in finally elucidating the mechanism by which a normal cell protein converts into a pathogenic entity that causes fatal brain degeneration.

Subgroup complexes

CERN Document Server

Smith, Stephen D

2011-01-01

This book is intended as an overview of a research area that combines geometries for groups (such as Tits buildings and generalizations), topological aspects of simplicial complexes from p-subgroups of a group (in the spirit of Brown, Quillen, and Webb), and combinatorics of partially ordered sets. The material is intended to serve as an advanced graduate-level text and partly as a general reference on the research area. The treatment offers optional tracks for the reader interested in buildings, geometries for sporadic simple groups, and G-equivariant equivalences and homology for subgroup complexes.

Adaptive control for a class of nonlinear complex dynamical systems with uncertain complex parameters and perturbations.

Directory of Open Access Journals (Sweden)

Jian Liu

Full Text Available In this paper, adaptive control is extended from real space to complex space, resulting in a new control scheme for a class of n-dimensional time-dependent strict-feedback complex-variable chaotic (hyperchaotic systems (CVCSs in the presence of uncertain complex parameters and perturbations, which has not been previously reported in the literature. In detail, we have developed a unified framework for designing the adaptive complex scalar controller to ensure this type of CVCSs asymptotically stable and for selecting complex update laws to estimate unknown complex parameters. In particular, combining Lyapunov functions dependent on complex-valued vectors and back-stepping technique, sufficient criteria on stabilization of CVCSs are derived in the sense of Wirtinger calculus in complex space. Finally, numerical simulation is presented to validate our theoretical results.

Adaptive control for a class of nonlinear complex dynamical systems with uncertain complex parameters and perturbations.

Science.gov (United States)

Liu, Jian; Liu, Kexin; Liu, Shutang

2017-01-01

In this paper, adaptive control is extended from real space to complex space, resulting in a new control scheme for a class of n-dimensional time-dependent strict-feedback complex-variable chaotic (hyperchaotic) systems (CVCSs) in the presence of uncertain complex parameters and perturbations, which has not been previously reported in the literature. In detail, we have developed a unified framework for designing the adaptive complex scalar controller to ensure this type of CVCSs asymptotically stable and for selecting complex update laws to estimate unknown complex parameters. In particular, combining Lyapunov functions dependent on complex-valued vectors and back-stepping technique, sufficient criteria on stabilization of CVCSs are derived in the sense of Wirtinger calculus in complex space. Finally, numerical simulation is presented to validate our theoretical results.

Complexity a very short introduction

CERN Document Server

Holland, John H

2014-01-01

The importance of complexity is well-captured by Hawking's comment: "Complexity is the science of the 21st century". From the movement of flocks of birds to the Internet, environmental sustainability, and market regulation, the study and understanding of complex non-linear systems has become highly influential over the last 30 years. In this Very Short Introduction, one of the leading figures in the field, John Holland, introduces the key elements and conceptual framework of complexity. From complex physical systems such as fluid flow and the difficulties of predicting weather, to complex adaptive systems such as the highly diverse and interdependent ecosystems of rainforests, he combines simple, well-known examples - Adam Smith's pin factory, Darwin's comet orchid, and Simon's 'watchmaker' - with an account of the approaches, involving agents and urn models, taken by complexity theory. ABOUT THE SERIES: The Very Short Introductions series from Oxford University Press contains hundreds of titles in almost eve...

Quantifying Complexity in Quantum Phase Transitions via Mutual Information Complex Networks.

Science.gov (United States)

Valdez, Marc Andrew; Jaschke, Daniel; Vargas, David L; Carr, Lincoln D

2017-12-01

We quantify the emergent complexity of quantum states near quantum critical points on regular 1D lattices, via complex network measures based on quantum mutual information as the adjacency matrix, in direct analogy to quantifying the complexity of electroencephalogram or functional magnetic resonance imaging measurements of the brain. Using matrix product state methods, we show that network density, clustering, disparity, and Pearson's correlation obtain the critical point for both quantum Ising and Bose-Hubbard models to a high degree of accuracy in finite-size scaling for three classes of quantum phase transitions, Z_{2}, mean field superfluid to Mott insulator, and a Berzinskii-Kosterlitz-Thouless crossover.

Quantifying Complexity in Quantum Phase Transitions via Mutual Information Complex Networks

Science.gov (United States)

Valdez, Marc Andrew; Jaschke, Daniel; Vargas, David L.; Carr, Lincoln D.

2017-12-01

We quantify the emergent complexity of quantum states near quantum critical points on regular 1D lattices, via complex network measures based on quantum mutual information as the adjacency matrix, in direct analogy to quantifying the complexity of electroencephalogram or functional magnetic resonance imaging measurements of the brain. Using matrix product state methods, we show that network density, clustering, disparity, and Pearson's correlation obtain the critical point for both quantum Ising and Bose-Hubbard models to a high degree of accuracy in finite-size scaling for three classes of quantum phase transitions, Z2, mean field superfluid to Mott insulator, and a Berzinskii-Kosterlitz-Thouless crossover.

Innovation in a complex environment

Directory of Open Access Journals (Sweden)

René Pellissier

2012-11-01

Objectives: The study objectives were, firstly, to establish the determinants for complexity and how these can be addressed from a design point of view in order to ensure innovation success and, secondly, to determine how this changes innovation forms and applications. Method: Two approaches were offered to deal with a complex environment – one allowing for complexity for organisational innovation and the other introducing reductionism to minimise complexity. These approaches were examined in a qualitative study involving case studies, open-ended interviews and content analysis between seven developing economy (South African organisations and seven developed economy (US organisations. Results: This study presented a proposed framework for (organisational innovation in a complex environment versus a framework that minimises complexity. The comparative organisational analysis demonstrated the importance of initiating organisational innovation to address internal and external complexity, with the focus being on the leadership actions, their selected operating models and resultant organisational innovations designs, rather than on technological innovations. Conclusion: This study cautioned the preference for technological innovation within organisations and suggested alternative innovation forms (such as organisational and management innovation be used to remain competitive in a complex environment.

COMPLEX PROMOTIONSIN RETAIL

Directory of Open Access Journals (Sweden)

O. Yusupova

2015-10-01

Full Text Available Complex promotions used by retailers introduce to the consumers several rules that must be satisfied in order to get some benefits and usually refer to multiple products (e.g. “buy two, get one free”. Rules of complex promotions can be quite sophisticated and complicated themselves. Since diversity of complex promotions limited only by marketers’ imagination we can observe broad variety of promotions’ rules and representa¬tions of those rules in retailers’ commercials. Such diversification makes no good for fellow scientist who’s trying to sort all type of promotions into the neatly organized classification. Although we can simple add every single set of rules offered by retailers as a separate form of sales promotion it seems not to be the best way of dealing with such a problem. The better way is to realize that mechanisms underlying that variety of promotions are basically the same, namely changes in demand or quantity demanded. Those two concepts alone provide powerful insight into classification of complex promotions and allow us to comprehend the variety of promotions offered by marketers nowadays.

Nuclear weapons complex

International Nuclear Information System (INIS)

Peach, J.D.

1991-02-01

In this paper, GAO provides its views on DOE's January 1991 Nuclear Weapons Complex Reconfiguration Study. GAO believes that DOE's new reconfiguration study provides a starting point for reaching agreement on solutions to many of the complex's problems. Key decisions still need to be made about the size of the complex, where to relocate plutonium operations, what technologies should be used for new tritium production, and what to do with excess plutonium. The total cost for reconfiguring and modernizing is still uncertain and some management issues remain unresolved. Congress faces a difficult task in making these decisions given the conflicting demands for scare resources in a time of growing budget deficits and war in the Persian Gulf

The SEA complex – the beginning

Directory of Open Access Journals (Sweden)

Dokudovskaya S. S.

2012-07-01

Full Text Available The presence of distinctive internal membrane compartments, dynamically connected via selective transport pathways, is a hallmark of eukaryotic cells. Many of the proteins required for formation and maintenance of these compartments share an evolutionary history. We have recently identified a new conserved protein complex – the SEA complex – that possesses proteins with structural characteristics similar to the membrane coating complexes such as the nuclear pore complex (NPC, the COPII vesicle coating complex and HOPS/CORVET tethering complexes. The SEA complex in yeast is dynamically associated to the vacuole. The data on the function of the SEA complex remain extremely limited. Here we will discuss a possible role of the SEA complex based on the data from genetic assays and a number of functional studies in both yeast and other eukaryotes.

Qubit Complexity of Continuous Problems

National Research Council Canada - National Science Library

Papageorgiou, A; Traub, J. F

2005-01-01

.... The authors show how to obtain the classical query complexity for continuous problems. They then establish a simple formula for a lower bound on the qubit complexity in terms of the classical query complexity...

Basicity comparison for di-substituted 4-nitropyridine derivatives in polar non-aqueous media

International Nuclear Information System (INIS)

Gurzynski, Lukasz; Puszko, Aniela; Chmurzynski, Lech

2007-01-01

Acid dissociation, as well as cationic homoconjugation equilibria have been studied potentiometrically in systems involving four di-substituted 4-nitropyridines and conjugate cationic acids in the polar non-aqueous solvents - aprotic protophobic acetonitrile (AN) and propylene carbonate (PC), the amphiprotic methanol (MeOH), and in the aprotic protophilic dimethyl sulfoxide (DMSO). The influence of solvent effect on the obtained acidity constants has been discussed. The acidity constants (expressed as pK a values) were compared with those previously determined in another polar protophobic aprotic solvent - acetone (AC), and obtained for the unsubstituted pyridine (Py). A comparison of the acid dissociation constants determined in all media studied has proved that the strength of the cationic acids increases on going from acetonitrile through propylene carbonate, acetone, and methanol to dimethyl sulfoxide. Furthermore, the values of acidity constants in the non-aqueous media have shown that in all the solvents studied they change according to the substituent effects. It has been also found that substituted 4-nitropyridine derivatives studied exhibit no tendency towards cationic homoconjugation in acetonitrile, propylene carbonate, and methanol and dimethyl sulfoxide. Moreover, it has been demonstrated that the acid dissociation constants determined by potentiometric titration method in all the solutions investigated correlate well with the calculated energy parameters of the protonation reactions in the gaseous phase

Basicity comparison for di-substituted 4-nitropyridine derivatives in polar non-aqueous media

Energy Technology Data Exchange (ETDEWEB)

Gurzynski, Lukasz [Department of General and Inorganic Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Puszko, Aniela [Department of Organic Chemistry, School of Economics, Wroclaw (Poland); Chmurzynski, Lech [Department of General and Inorganic Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)], E-mail: lech@chemik.chem.univ.gda.pl

2007-12-15

Acid dissociation, as well as cationic homoconjugation equilibria have been studied potentiometrically in systems involving four di-substituted 4-nitropyridines and conjugate cationic acids in the polar non-aqueous solvents - aprotic protophobic acetonitrile (AN) and propylene carbonate (PC), the amphiprotic methanol (MeOH), and in the aprotic protophilic dimethyl sulfoxide (DMSO). The influence of solvent effect on the obtained acidity constants has been discussed. The acidity constants (expressed as pK{sub a} values) were compared with those previously determined in another polar protophobic aprotic solvent - acetone (AC), and obtained for the unsubstituted pyridine (Py). A comparison of the acid dissociation constants determined in all media studied has proved that the strength of the cationic acids increases on going from acetonitrile through propylene carbonate, acetone, and methanol to dimethyl sulfoxide. Furthermore, the values of acidity constants in the non-aqueous media have shown that in all the solvents studied they change according to the substituent effects. It has been also found that substituted 4-nitropyridine derivatives studied exhibit no tendency towards cationic homoconjugation in acetonitrile, propylene carbonate, and methanol and dimethyl sulfoxide. Moreover, it has been demonstrated that the acid dissociation constants determined by potentiometric titration method in all the solutions investigated correlate well with the calculated energy parameters of the protonation reactions in the gaseous phase.

Heparan sulfate-chondroitin sulfate hybrid proteoglycan of the cell surface and basement membrane of mouse mammary epithelial cells

International Nuclear Information System (INIS)

David, G.; Van den Berghe, H.

1985-01-01

Chondroitin sulfate represents approximately 15% of the 35 SO 4 -labeled glycosaminoglycans carried by the proteoglycans of the cell surface and of the basolateral secretions of normal mouse mammary epithelial cells in culture. Evidence is provided that these chondroitin sulfate-carrying proteoglycans are hybrid proteoglycans, carrying both chondroitin sulfate and heparan sulfate chains. Complete N-desulfation but limited O-desulfation, by treatment with dimethyl sulfoxide, of the proteoglycans decreased the anionic charge of the chondroitin sulfate-carrying proteoglycans to a greater extent than it decreased the charge of their constituent chondroitin sulfate chains. Partial depolymerization of the heparan sulfate residues of the proteoglycans with nitrous acid or with heparin lyase also reduced the effective molecular radius of the chondroitin sulfate-carrying proteoglycans. The effect of heparin lyase on the chondroitin sulfate-carrying proteoglycans was prevented by treating the proteoglycan fractions with dimethyl sulfoxide, while the effect of nitrous acid on the dimethyl sulfoxide-treated proteoglycans was prevented by acetylation. This occurrence of heparan sulfate-chondroitin sulfate hybrid proteoglycans suggests that the substitution of core proteins by heparan sulfate or chondroitin sulfate chains may not solely be determined by the specific routing of these proteins through distinct chondroitin sulfate and heparan sulfate synthesizing mechanisms. Moreover, regional and temporal changes in pericellular glycosaminoglycan compositions might be due to variable postsynthetic modification of a single gene product

Innovation in a complex environment

Directory of Open Access Journals (Sweden)

René Pellissier

2012-02-01

Full Text Available Background: As our world becomes more global and competitive yet less predictable, the focus seems to be increasingly on looking to innovation activities to remain competitive. Although there is little doubt that a nation’s competitiveness is embedded in its innovativeness, the complex environment should not be ignored. Complexity is not accounted for in balance sheets or reported in reports; it becomes entrenched in every activity in the organisation. Innovation takes many forms and comes in different shapes.Objectives: The study objectives were, firstly, to establish the determinants for complexity and how these can be addressed from a design point of view in order to ensure innovation success and, secondly, to determine how this changes innovation forms and applications.Method: Two approaches were offered to deal with a complex environment – one allowing for complexity for organisational innovation and the other introducing reductionism to minimise complexity. These approaches were examined in a qualitative study involving case studies, open-ended interviews and content analysis between seven developing economy (South African organisations and seven developed economy (US organisations.Results: This study presented a proposed framework for (organisational innovation in a complex environment versus a framework that minimises complexity. The comparative organisational analysis demonstrated the importance of initiating organisational innovation to address internal and external complexity, with the focus being on the leadership actions, their selected operating models and resultant organisational innovations designs, rather than on technological innovations.Conclusion: This study cautioned the preference for technological innovation within organisations and suggested alternative innovation forms (such as organisational and management innovation be used to remain competitive in a complex environment. 

SCAR/WAVE: A complex issue.

Science.gov (United States)

Davidson, Andrew J; Insall, Robert H

2013-11-01

The SCAR/WAVE complex drives the actin polymerisation that underlies protrusion of the front of the cell and thus drives migration. However, it is not understood how the activity of SCAR/WAVE is regulated to generate the infinite range of cellular shape changes observed during cell motility. What are the relative roles of the subunits of the SCAR/WAVE complex? What signaling molecules do they interact with? And how does the complex integrate all this information in order to control the temporal and spatial polymerisation of actin during protrusion formation? Unfortunately, the interdependence of SCAR complex members has made genetic dissection hard. In our recent paper,(1) we describe stabilization of the Dictyostelium SCAR complex by a small fragment of Abi. Here we summarize the main findings and discuss how this approach can help reveal the inner workings of this impenetrable complex.

Complex manifolds

CERN Document Server

Morrow, James

2006-01-01

This book, a revision and organization of lectures given by Kodaira at Stanford University in 1965-66, is an excellent, well-written introduction to the study of abstract complex (analytic) manifolds-a subject that began in the late 1940's and early 1950's. It is largely self-contained, except for some standard results about elliptic partial differential equations, for which complete references are given. -D. C. Spencer, MathSciNet The book under review is the faithful reprint of the original edition of one of the most influential textbooks in modern complex analysis and geometry. The classic

Hypoxia targeting copper complexes

International Nuclear Information System (INIS)

Dearling, J.L.

1998-11-01

The importance and incidence of tumour hypoxia, its measurement and current treatments available, including pharmacological and radiopharmacological methods of targeting hypoxia, are discussed. A variety of in vitro and in vivo methods for imposing hypoxia have been developed and are reviewed. Copper, its chemistry, biochemistry and radiochemistry, the potential for use of copper radionuclides and its use to date in this field is considered with particular reference to the thiosemicarbazones. Their biological activity, metal chelation, in vitro and in vivo studies of their radiocopper complexes and the potential for their use as hypoxia targeting radiopharmaceuticals is described. The reduction of the copper(II) complex to copper(l), its pivotal importance in their biological behaviour, and the potential for manipulation of this to effect hypoxia selectivity are described. An in vitro method for assessing the hypoxia selectivity of radiopharmaceuticals is reported. The rapid deoxygenation and high viability of a mammalian cell culture in this system is discussed and factors which may affect the cellular uptake of a radiopharmaceutical are described. The design, synthesis and complexation with copper and radiocopper of a range of bis(thiosemicarbazones) is reported. Synthesis of these compounds is simple giving high yields of pure products. The characteristics of the radiocopper complexes ( 64 Cu) including lipophilicity and redox activity are reported (reduction potentials in the range -0.314 - -0.590 V). High cellular uptakes of the radiocopper complexes of the ligands, in hypoxic and normoxic EMT6 and CHO320 cells, were observed. Extremes of selectivity are shown ranging from the hypoxia selective 64 Cu(II)ATSM to normoxic cell selective 64 Cu(II)GTS. The selectivities observed are compared with the physico chemical characteristics of the complexes. A good correlation exists between selectivity of the complex and its Cu(II)/Cu(I) reduction potential, with hypoxia

Complex Systems and Dependability

CERN Document Server

Zamojski, Wojciech; Sugier, Jaroslaw

2012-01-01

Typical contemporary complex system is a multifaceted amalgamation of technical, information, organization, software and human (users, administrators and management) resources. Complexity of such a system comes not only from its involved technical and organizational structure but mainly from complexity of information processes that must be implemented in the operational environment (data processing, monitoring, management, etc.). In such case traditional methods of reliability analysis focused mainly on technical level are usually insufficient in performance evaluation and more innovative meth

Complexity Management - A multiple case study analysis on control and reduction of complexity costs

DEFF Research Database (Denmark)

Myrodia, Anna

of products, with features more custom-made to cover individual needs, both regarding characteristics of products and support services. This necessity leads to a considerable increase of the complexity in the company, which affects the product portfolio, production and supply chain, market segments......, IT systems, and business processes. In order to identify and eliminate complexity, several approaches are used, both by researchers and practitioners. The purpose of this thesis is to contribute to the existing knowledge of complexity management theory. This research focuses on the relationship between......Complexity tends to be arguably the biggest challenge of manufacturing companies. The motivation of further studying complexity is a combination between the existing literature and the practical experiences from the industry. Based on the latest trend companies are trying to supply a growing mix...

On dependence of stability of lanthanum complexes with aminopolycarboxylic acids on the complex structure

International Nuclear Information System (INIS)

Poluehktov, N.S.; Meshkova, S.B.; Danilkovich, M.M.; Topilova, Z.M.

1985-01-01

Regularities in changes of stability constants of lanthanum complexes with aminopolycarboxylic acids (APA) versus their structure are studied, The stability of lathanum-APA complexes depends mainly on the number of carboxyl groups in a ligand molecule. At that, the highest stability constant is characteristic of a complex with a ligand, containing 3 nitrogen atoms and 5 carboxyl groups, in the presenoe of which the lanthanum ion coordination sphere gets satupated. The oxyethy group introduction into a ligand molecule also improves the lanthanum complex stability but to a lesser degree than during the introduction of a carboxyl group. The number of nitrogen atoms in a ligand polecule affects insignificantly the complex stability constant value, and the elongation of a chain of CH 2 groups, separating nitrogen atoms, reduces the constant to a -0.6 power

Complex Projective Synchronization in Drive-Response Stochastic Complex Networks by Impulsive Pinning Control

Directory of Open Access Journals (Sweden)

Xuefei Wu

2014-01-01

Full Text Available The complex projective synchronization in drive-response stochastic coupled networks with complex-variable systems is considered. The impulsive pinning control scheme is adopted to achieve complex projective synchronization and several simple and practical sufficient conditions are obtained in a general drive-response network. In addition, the adaptive feedback algorithms are proposed to adjust the control strength. Several numerical simulations are provided to show the effectiveness and feasibility of the proposed methods.

MANAGEMENT OF SPORT COMPLEXES

Directory of Open Access Journals (Sweden)

Marian STAN

2015-07-01

Full Text Available The actuality of the investigated theme. Nowadays, human evolution, including his intellectual development, proves the fact that especially the creation manpower and the employment was the solution of all life’s ambitions in society. So, the fact is that in reality, man is the most important capital of the society. Also, in an individual’s life, the practice of sport plays a significant role and that’s why the initiation, the launch and the management of sports complexes activity reveal the existence of specific management features that we will identify and explain in the current study. The aim of the research refers to the elaboration of a theoretical base of the management of the sport complexes, to the pointing of the factors that influence the efficient existence and function of a sport complex in our country and to the determination of the responsibilities that have a manager who directs successfully the activity of the sport complexes. The investigation is based on theoretical methods, such as: scientific documentation, analysis, synthesis, comparison and on empirical research methods, like: study of researched literature and observation. The results of the research indicate the fact that the profitability of a sport complex must assure a particular structure to avoid the bankruptcy risk and also, that the administration of the sport complexes activity must keep in view the reliable functions of the contemporaneous management.

COMPLEXITY AND UNIVERSITY

Directory of Open Access Journals (Sweden)

Edna Lemes Martins Pereira

2013-12-01

Full Text Available Economic globalization affects different countries on the globe, has positive effects mainly related to access to communication, which promotes the exchange of ideas, information, products and quality of life. However, extends numerous negative aspects such as marginalization, economic dependencies, political, cultural, scientific, educational accentuate social inequalities and cultural conflicts and territorial. In this article it is a dialogue with authors (Cunha 2009; BARNETT 2005; MORIN 1999, 2006, among others, who understand these changes in society from the contemporary world as conceived as the "Complexity era" or "supercomplexity". To understand and cope with this reality, they propose a paradigm that is able to overcome the fragmentation and reductionism of knowledge and to relate the multiple approaches and visions to meet the complexity of reality. Although this paper presents proposals to the aforementioned authors point to education and the university found in this tangle of interconnected global transformations, given the need to be subject to act in a complex reality that requires critical and self-critical professionals, able to think about their own ability to think, understand and act within this complex context.

Dehalogenase: The Follow-Up Enzyme After Mustard Oxidation

National Research Council Canada - National Science Library

Elashvili, Ilya; DeFrank, Joseph J

2002-01-01

Sulfur mustard (HD) has been used as a chemical warfare agent since 1917. Currently fielded M258A1 and M280 decontamination kits and prospective oxidative decontaminants convert HD to HD sulfoxide (HDSO...

Cooperativity of complex salt bridges

OpenAIRE

Gvritishvili, Anzor G.; Gribenko, Alexey V.; Makhatadze, George I.

2008-01-01

The energetic contribution of complex salt bridges, in which one charged residue (anchor residue) forms salt bridges with two or more residues simultaneously, has been suggested to have importance for protein stability. Detailed analysis of the net energetics of complex salt bridge formation using double- and triple-mutant cycle analysis revealed conflicting results. In two cases, it was shown that complex salt bridge formation is cooperative, i.e., the net strength of the complex salt bridge...

Study of complex modes

International Nuclear Information System (INIS)

Pastrnak, J.W.

1986-01-01

This eighteen-month study has been successful in providing the designer and analyst with qualitative guidelines on the occurrence of complex modes in the dynamics of linear structures, and also in developing computer codes for determining quantitatively which vibration modes are complex and to what degree. The presence of complex modes in a test structure has been verified. Finite element analysis of a structure with non-proportional dumping has been performed. A partial differential equation has been formed to eliminate possible modeling errors

Managing complexity insights, concepts, applications

CERN Document Server

Helbing, Dirk

2007-01-01

Each chapter in Managing Complexity focuses on analyzing real-world complex systems and transferring knowledge from the complex-systems sciences to applications in business, industry and society. The interdisciplinary contributions range from markets and production through logistics, traffic control, and critical infrastructures, up to network design, information systems, social conflicts and building consensus. They serve to raise readers' awareness concerning the often counter-intuitive behavior of complex systems and to help them integrate insights gained in complexity research into everyday planning, decision making, strategic optimization, and policy. Intended for a broad readership, the contributions have been kept largely non-technical and address a general, scientifically literate audience involved in corporate, academic, and public institutions.

Complexation of buffer constituents with neutral complexation agents: part II. Practical impact in capillary zone electrophoresis.

Science.gov (United States)

Beneš, Martin; Riesová, Martina; Svobodová, Jana; Tesařová, Eva; Dubský, Pavel; Gaš, Bohuslav

2013-09-17

This article elucidates the practical impact of the complexation of buffer constituents with complexation agents on electrophoretic results, namely, complexation constant determination, system peak development, and proper separation of analytes. Several common buffers, which were selected based on the pH study in Part I of this paper series (Riesová, M.; Svobodová, J.; Tošner, Z.; Beneš, M.; Tesařová, E.; Gaš, B. Anal. Chem., 2013, DOI: 10.1021/ac4013804); e.g., CHES, MES, MOPS, Tricine were used to demonstrate behavior of such complex separation systems. We show that the value of a complexation constant determined in the interacting buffers environment depends not only on the analyte and complexation agent but it is also substantially affected by the type and concentration of buffer constituents. As a result, the complexation parameters determined in the interacting buffers cannot be regarded as thermodynamic ones and may provide misleading information about the strength of complexation of the compound of interest. We also demonstrate that the development of system peaks in interacting buffer systems significantly differs from the behavior known for noncomplexing systems, as the mobility of system peaks depends on the concentration and type of neutral complexation agent. Finally, we show that the use of interacting buffers can totally ruin the results of electrophoretic separation because the buffer properties change as the consequence of the buffer constituents' complexation. As a general conclusion, the interaction of buffer constituents with the complexation agent should always be considered in any method development procedures.

Quantify the complexity of turbulence

Science.gov (United States)

Tao, Xingtian; Wu, Huixuan

2017-11-01

Many researchers have used Reynolds stress, power spectrum and Shannon entropy to characterize a turbulent flow, but few of them have measured the complexity of turbulence. Yet as this study shows, conventional turbulence statistics and Shannon entropy have limits when quantifying the flow complexity. Thus, it is necessary to introduce new complexity measures- such as topology complexity and excess information-to describe turbulence. Our test flow is a classic turbulent cylinder wake at Reynolds number 8100. Along the stream-wise direction, the flow becomes more isotropic and the magnitudes of normal Reynolds stresses decrease monotonically. These seem to indicate the flow dynamics becomes simpler downstream. However, the Shannon entropy keeps increasing along the flow direction and the dynamics seems to be more complex, because the large-scale vortices cascade to small eddies, the flow is less correlated and more unpredictable. In fact, these two contradictory observations partially describe the complexity of a turbulent wake. Our measurements (up to 40 diameters downstream the cylinder) show that the flow's degree-of-complexity actually increases firstly and then becomes a constant (or drops slightly) along the stream-wise direction. University of Kansas General Research Fund.

BRAND program complex

International Nuclear Information System (INIS)

Androsenko, A.A.; Androsenko, P.A.

1983-01-01

A description is given of the structure, input procedure and recording rules of initial data for the BRAND programme complex intended for the Monte Carlo simulation of neutron physics experiments. The BRAND complex ideology is based on non-analogous simulation of the neutron and photon transport process (statistic weights are used, absorption and escape of particles from the considered region is taken into account, shifted readouts from a coordinate part of transition nucleus density are applied, local estimations, etc. are used). The preparation of initial data for three sections is described in detail: general information for Monte Carlo calculation, source definition and data for describing the geometry of the system. The complex is to be processed with the BESM-6 computer, the basic programming lan-- guage is FORTRAN, volume - more than 8000 operators

Identification of a small TAF complex and its role in the assembly of TAF-containing complexes.

Science.gov (United States)

Demény, Màté A; Soutoglou, Evi; Nagy, Zita; Scheer, Elisabeth; Jànoshàzi, Agnes; Richardot, Magalie; Argentini, Manuela; Kessler, Pascal; Tora, Laszlo

2007-03-21

TFIID plays a role in nucleating RNA polymerase II preinitiation complex assembly on protein-coding genes. TFIID is a multisubunit complex comprised of the TATA box binding protein (TBP) and 14 TBP-associated factors (TAFs). Another class of multiprotein transcriptional regulatory complexes having histone acetyl transferase (HAT) activity, and containing TAFs, includes TFTC, STAGA and the PCAF/GCN5 complex. Looking for as yet undiscovered subunits by a proteomic approach, we had identified TAF8 and SPT7L in human TFTC preparations. Subsequently, however, we demonstrated that TAF8 was not a stable component of TFTC, but that it is present in a small TAF complex (SMAT), containing TAF8, TAF10 and SPT7L, that co-purified with TFTC. Thus, TAF8 is a subunit of both TFIID and SMAT. The latter has to be involved in a pathway of complex formation distinct from the other known TAF complexes, since these three histone fold (HF)-containing proteins (TAF8, TAF10 and SPT7L) can never be found together either in TFIID or in STAGA/TFTC HAT complexes. Here we show that TAF8 is absolutely necessary for the integration of TAF10 in a higher order TFIID core complex containing seven TAFs. TAF8 forms a heterodimer with TAF10 through its HF and proline rich domains, and also interacts with SPT7L through its C-terminal region, and the three proteins form a complex in vitro and in vivo. Thus, the TAF8-TAF10 and TAF10-SPT7L HF pairs, and also the SMAT complex, seem to be important regulators of the composition of different TFIID and/or STAGA/TFTC complexes in the nucleus and consequently may play a role in gene regulation.

Complexity science and leadership in healthcare.

Science.gov (United States)

Burns, J P

2001-10-01

The emerging field of complexity science offers an alternative leadership strategy for the chaotic, complex healthcare environment. A survey revealed that healthcare leaders intuitively support principles of complexity science. Leadership that uses complexity principles offers opportunities in the chaotic healthcare environment to focus less on prediction and control and more on fostering relationships and creating conditions in which complex adaptive systems can evolve to produce creative outcomes.

Complex Functions with GeoGebra

Science.gov (United States)

Breda, Ana Maria D'azevedo; Dos Santos, José Manuel Dos Santos

2016-01-01

Complex functions, generally feature some interesting peculiarities, seen as extensions of real functions. The visualization of complex functions properties usually requires the simultaneous visualization of two-dimensional spaces. The multiple Windows of GeoGebra, combined with its ability of algebraic computation with complex numbers, allow the…

Complex DNA structures and structures of DNA complexes

International Nuclear Information System (INIS)

Chazin, W.J.; Carlstroem, G.; Shiow-Meei Chen; Miick, S.; Gomez-Paloma, L.; Smith, J.; Rydzewski, J.

1994-01-01

Complex DNA structures (for example, triplexes, quadruplexes, junctions) and DNA-ligand complexes are more difficult to study by NMR than standard DNA duplexes are because they have high molecular weights, show nonstandard or distorted local conformations, and exhibit large resonance linewidths and severe 1 H spectral overlap. These systems also tend to have limited solubility and may require specialized solution conditions to maintain favorable spectral characteristics, which adds to the spectroscopic difficulties. Furthermore, with more atoms in the system, both assignment and structure calculation become more challenging. In this article, we focus on demonstrating the current status of NMR studies of such systems and the limitations to further progress; we also indicate in what ways isotopic enrichment can be useful

Complex DNA structures and structures of DNA complexes

Energy Technology Data Exchange (ETDEWEB)

Chazin, W.J.; Carlstroem, G.; Shiow-Meei Chen; Miick, S.; Gomez-Paloma, L.; Smith, J.; Rydzewski, J. [Scripps Research Institute, La Jolla, CA (United States)

1994-12-01

Complex DNA structures (for example, triplexes, quadruplexes, junctions) and DNA-ligand complexes are more difficult to study by NMR than standard DNA duplexes are because they have high molecular weights, show nonstandard or distorted local conformations, and exhibit large resonance linewidths and severe {sup 1}H spectral overlap. These systems also tend to have limited solubility and may require specialized solution conditions to maintain favorable spectral characteristics, which adds to the spectroscopic difficulties. Furthermore, with more atoms in the system, both assignment and structure calculation become more challenging. In this article, we focus on demonstrating the current status of NMR studies of such systems and the limitations to further progress; we also indicate in what ways isotopic enrichment can be useful.

Synthesis and characterization of new optically active poly(amide ...

African Journals Online (AJOL)

Synthesis and characterization of new optically active poly(amide-imide)s based on N -trimellitimido- ... Bulletin of the Chemical Society of Ethiopia ... (DMAc), dimethyl sulfoxide (DMSO) and N-methyl-2-pyrrolidone (NMP) at room temperature.

Oligocyclopentadienyl transition metal complexes

Energy Technology Data Exchange (ETDEWEB)

de Azevedo, Cristina G.; Vollhardt, K. Peter C.

2002-01-18

Synthesis, characterization, and reactivity studies of oligocyclopentadienyl transition metal complexes, namely those of fulvalene, tercyclopentadienyl, quatercyclopentadienyl, and pentacyclopentadienyl(cyclopentadienyl) are the subject of this account. Thermal-, photo-, and redox chemistries of homo- and heteropolynuclear complexes are described.

Measuring Complexity of SAP Systems

Directory of Open Access Journals (Sweden)

Ilja Holub

2016-10-01

Full Text Available The paper discusses the reasons of complexity rise in ERP system SAP R/3. It proposes a method for measuring complexity of SAP. Based on this method, the computer program in ABAP for measuring complexity of particular SAP implementation is proposed as a tool for keeping ERP complexity under control. The main principle of the measurement method is counting the number of items or relations in the system. The proposed computer program is based on counting of records in organization tables in SAP.

Exotic plant species around Jeongeup Research Complex and RFT industrial complex

International Nuclear Information System (INIS)

Kim, Jin Kyu; Cha, Min Kyoung; Ryu, Tae Ho; Lee, Yun Jong; Kim, Jin Hong

2015-01-01

In Shinjeong-dong of Jeongeup, there are three government-supported research institutes and an RFT industrial complex which is currently being established. Increased human activities can affect flora and fauna as a man-made pressure onto the region. As a baseline study, status of exotic plants was investigated prior to a full operation of the RFT industrial complex. A total of 54 species and 1 variety of naturalized or introduced plants were found in the study area. Among them, three species (Ambrosia artemisifolia var. elatior, Rumex acetocella and Aster pilosus) belong to 'nuisance species', and four species (Phytolacca americana, Iopomoea hederacea, Ereechtites hieracifolia and Rudbeckia laciniata) to ‘monitor species’ designated by the ministry of Environment. Some of naturalized trees and plants were intentionally introduced in this area, while others naturally immigrated. Physalis angulata seems to immigrate in the study area in the form of mixture with animal feeds as its distribution coincided with the transportation route of the animal feeds. Liquidambar styraciflua is amenable to the ecological investigation on the possible expansion of the species to the nearby Naejang National Park as its leave shape and autumn color are very similar to those of maple trees. The number of naturalized plants around the RFT industrial complex will increase with an increase in floating population, in human activities in association with constructions of factories and operations of the complex. The result of this study provides baseline data for assessing the ecological change of the region according to the operation of the RFT industrial complex

Exotic plant species around Jeongeup Research Complex and RFT industrial complex

Energy Technology Data Exchange (ETDEWEB)

Kim, Jin Kyu; Cha, Min Kyoung; Ryu, Tae Ho; Lee, Yun Jong; Kim, Jin Hong [Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup(Korea, Republic of)

2015-08-15

In Shinjeong-dong of Jeongeup, there are three government-supported research institutes and an RFT industrial complex which is currently being established. Increased human activities can affect flora and fauna as a man-made pressure onto the region. As a baseline study, status of exotic plants was investigated prior to a full operation of the RFT industrial complex. A total of 54 species and 1 variety of naturalized or introduced plants were found in the study area. Among them, three species (Ambrosia artemisifolia var. elatior, Rumex acetocella and Aster pilosus) belong to 'nuisance species', and four species (Phytolacca americana, Iopomoea hederacea, Ereechtites hieracifolia and Rudbeckia laciniata) to ‘monitor species’ designated by the ministry of Environment. Some of naturalized trees and plants were intentionally introduced in this area, while others naturally immigrated. Physalis angulata seems to immigrate in the study area in the form of mixture with animal feeds as its distribution coincided with the transportation route of the animal feeds. Liquidambar styraciflua is amenable to the ecological investigation on the possible expansion of the species to the nearby Naejang National Park as its leave shape and autumn color are very similar to those of maple trees. The number of naturalized plants around the RFT industrial complex will increase with an increase in floating population, in human activities in association with constructions of factories and operations of the complex. The result of this study provides baseline data for assessing the ecological change of the region according to the operation of the RFT industrial complex.

A Memristor-Based Hyperchaotic Complex Lü System and Its Adaptive Complex Generalized Synchronization

Directory of Open Access Journals (Sweden)

Shibing Wang

2016-02-01

Full Text Available This paper introduces a new memristor-based hyperchaotic complex Lü system (MHCLS and investigates its adaptive complex generalized synchronization (ACGS. Firstly, the complex system is constructed based on a memristor-based hyperchaotic real Lü system, and its properties are analyzed theoretically. Secondly, its dynamical behaviors, including hyperchaos, chaos, transient phenomena, as well as periodic behaviors, are explored numerically by means of bifurcation diagrams, Lyapunov exponents, phase portraits, and time history diagrams. Thirdly, an adaptive controller and a parameter estimator are proposed to realize complex generalized synchronization and parameter identification of two identical MHCLSs with unknown parameters based on Lyapunov stability theory. Finally, the numerical simulation results of ACGS and its applications to secure communication are presented to verify the feasibility and effectiveness of the proposed method.

Complexity of Economical Systems

Directory of Open Access Journals (Sweden)

G. P. Pavlos

2015-01-01

Full Text Available In this study new theoretical concepts are described concerning the interpretation of economical complex dynamics. In addition a summary of an extended algorithm of nonlinear time series analysis is provided which is applied not only in economical time series but also in other physical complex systems (e.g. [22, 24]. In general, Economy is a vast and complicated set of arrangements and actions wherein agents—consumers, firms, banks, investors, government agencies—buy and sell, speculate, trade, oversee, bring products into being, offer services, invest in companies, strategize, explore, forecast, compete, learn, innovate, and adapt. As a result the economic and financial variables such as foreign exchange rates, gross domestic product, interest rates, production, stock market prices and unemployment exhibit large-amplitude and aperiodic fluctuations evident in complex systems. Thus, the Economics can be considered as spatially distributed non-equilibrium complex system, for which new theoretical concepts, such as Tsallis non extensive statistical mechanics and strange dynamics, percolation, nonGaussian, multifractal and multiscale dynamics related to fractional Langevin equations can be used for modeling and understanding of the economical complexity locally or globally.

Complexity and Dynamical Depth

Directory of Open Access Journals (Sweden)

Terrence Deacon

2014-07-01

Full Text Available We argue that a critical difference distinguishing machines from organisms and computers from brains is not complexity in a structural sense, but a difference in dynamical organization that is not well accounted for by current complexity measures. We propose a measure of the complexity of a system that is largely orthogonal to computational, information theoretic, or thermodynamic conceptions of structural complexity. What we call a system’s dynamical depth is a separate dimension of system complexity that measures the degree to which it exhibits discrete levels of nonlinear dynamical organization in which successive levels are distinguished by local entropy reduction and constraint generation. A system with greater dynamical depth than another consists of a greater number of such nested dynamical levels. Thus, a mechanical or linear thermodynamic system has less dynamical depth than an inorganic self-organized system, which has less dynamical depth than a living system. Including an assessment of dynamical depth can provide a more precise and systematic account of the fundamental difference between inorganic systems (low dynamical depth and living systems (high dynamical depth, irrespective of the number of their parts and the causal relations between them.

Automated technological equipment-robot complexes

International Nuclear Information System (INIS)

Zhitomirskii, S.V.; Samorodskikh, B.L.

1984-01-01

This paper surveys the types of automated technological equipment robot complexes. The principal elements of such complexes are described. Complexes are divided into two principal groups: those using simultaneously acting robots, and those using successively acting robots. The great variety of types of robots using successive action is then described

Managing complex child law

DEFF Research Database (Denmark)

Svendsen, Idamarie Leth

2017-01-01

The article reports the findings of a qualitative study of Danish legal regulation of the public initial assessment of children and young persons and municipal practitioners’ decision-making under this regulation. The regulation mirrors new and complex relations between families and society...... in the form of 7 individual vignette interviews with municipal mid-level managers and professional consultants in five Danish municipalities. The study finds that the regulation is more complex than it looks, and that the complexity is handled through simplifying decision-making patterns that can be seen...

Cyclomatic Complexity: theme and variations

Directory of Open Access Journals (Sweden)

Brian Henderson-Sellers

1993-11-01

Full Text Available Focussing on the "McCabe family" of measures for the decision/logic structure of a program, leads to an evaluation of extensions to modularization, nesting and, potentially, to object-oriented program structures. A comparison of rated, operating and essential complexities of programs suggests two new metrics: "inessential complexity" as a measure of unstructuredness and "product complexity" as a potential objective measure of structural complexity. Finally, nesting and abstraction levels are considered, especially as to how metrics from the "McCabe family" might be applied in an object-oriented systems development environment.

The structure of complex Lie groups

CERN Document Server

Lee, Dong Hoon

2001-01-01

Complex Lie groups have often been used as auxiliaries in the study of real Lie groups in areas such as differential geometry and representation theory. To date, however, no book has fully explored and developed their structural aspects.The Structure of Complex Lie Groups addresses this need. Self-contained, it begins with general concepts introduced via an almost complex structure on a real Lie group. It then moves to the theory of representative functions of Lie groups- used as a primary tool in subsequent chapters-and discusses the extension problem of representations that is essential for studying the structure of complex Lie groups. This is followed by a discourse on complex analytic groups that carry the structure of affine algebraic groups compatible with their analytic group structure. The author then uses the results of his earlier discussions to determine the observability of subgroups of complex Lie groups.The differences between complex algebraic groups and complex Lie groups are sometimes subtle ...

Modeling Complex Systems

CERN Document Server

Boccara, Nino

2010-01-01

Modeling Complex Systems, 2nd Edition, explores the process of modeling complex systems, providing examples from such diverse fields as ecology, epidemiology, sociology, seismology, and economics. It illustrates how models of complex systems are built and provides indispensable mathematical tools for studying their dynamics. This vital introductory text is useful for advanced undergraduate students in various scientific disciplines, and serves as an important reference book for graduate students and young researchers. This enhanced second edition includes: . -recent research results and bibliographic references -extra footnotes which provide biographical information on cited scientists who have made significant contributions to the field -new and improved worked-out examples to aid a student’s comprehension of the content -exercises to challenge the reader and complement the material Nino Boccara is also the author of Essentials of Mathematica: With Applications to Mathematics and Physics (Springer, 2007).

Multiple antioxidant proteins protect Chlorobaculum tepidum against oxygen and reactive oxygen species

DEFF Research Database (Denmark)

Li, Hui; Jubelirer, Sara; Garcia Costas, Amaya M

2009-01-01

include cytochrome bd quinol oxidase, NADH oxidase, rubredoxin oxygen oxidoreductase, several thiol peroxidases, alkyl hydroperoxide reductase, superoxide dismutase, methionine sulfoxide reductase, and rubrerythrin. To test the physiological functions of some of these proteins, ten genes were...

Tensor Product of Polygonal Cell Complexes

OpenAIRE

Chien, Yu-Yen

2017-01-01

We introduce the tensor product of polygonal cell complexes, which interacts nicely with the tensor product of link graphs of complexes. We also develop the unique factorization property of polygonal cell complexes with respect to the tensor product, and study the symmetries of tensor products of polygonal cell complexes.

Organization structures for dealing with complexity

NARCIS (Netherlands)

Meijer, B.R.

2006-01-01

"Complexity is in the eye of the beholder" is a well known quote in the research field of complexity. In the world of managers the word complex is often a synonym for difficult, complicated, involving many factors and highly uncertain. A complex business decision requires careful preparation and

Epidemic modeling in complex realities.

Science.gov (United States)

Colizza, Vittoria; Barthélemy, Marc; Barrat, Alain; Vespignani, Alessandro

2007-04-01

In our global world, the increasing complexity of social relations and transport infrastructures are key factors in the spread of epidemics. In recent years, the increasing availability of computer power has enabled both to obtain reliable data allowing one to quantify the complexity of the networks on which epidemics may propagate and to envision computational tools able to tackle the analysis of such propagation phenomena. These advances have put in evidence the limits of homogeneous assumptions and simple spatial diffusion approaches, and stimulated the inclusion of complex features and heterogeneities relevant in the description of epidemic diffusion. In this paper, we review recent progresses that integrate complex systems and networks analysis with epidemic modelling and focus on the impact of the various complex features of real systems on the dynamics of epidemic spreading.

Provability, complexity, grammars

CERN Document Server

Beklemishev, Lev; Vereshchagin, Nikolai

1999-01-01

The book contains English translations of three outstanding dissertations in mathematical logic and complexity theory. L. Beklemishev proves that all provability logics must belong to one of the four previously known classes. The dissertation of M. Pentus proves the Chomsky conjecture about the equivalence of two approaches to formal languages: the Chomsky hierarchy and the Lambek calculus. The dissertation of N. Vereshchagin describes a general framework for criteria of reversability in complexity theory.

Complexation and molecular modeling studies of europium(III)-gallic acid-amino acid complexes.

Science.gov (United States)

Taha, Mohamed; Khan, Imran; Coutinho, João A P

2016-04-01

With many metal-based drugs extensively used today in the treatment of cancer, attention has focused on the development of new coordination compounds with antitumor activity with europium(III) complexes recently introduced as novel anticancer drugs. The aim of this work is to design new Eu(III) complexes with gallic acid, an antioxida'nt phenolic compound. Gallic acid was chosen because it shows anticancer activity without harming health cells. As antioxidant, it helps to protect human cells against oxidative damage that implicated in DNA damage, cancer, and accelerated cell aging. In this work, the formation of binary and ternary complexes of Eu(III) with gallic acid, primary ligand, and amino acids alanine, leucine, isoleucine, and tryptophan was studied by glass electrode potentiometry in aqueous solution containing 0.1M NaNO3 at (298.2 ± 0.1) K. Their overall stability constants were evaluated and the concentration distributions of the complex species in solution were calculated. The protonation constants of gallic acid and amino acids were also determined at our experimental conditions and compared with those predicted by using conductor-like screening model for realistic solvation (COSMO-RS) model. The geometries of Eu(III)-gallic acid complexes were characterized by the density functional theory (DFT). The spectroscopic UV-visible and photoluminescence measurements are carried out to confirm the formation of Eu(III)-gallic acid complexes in aqueous solutions. Copyright © 2016 Elsevier Inc. All rights reserved.

Complexity factors and prediction of performance

International Nuclear Information System (INIS)

Braarud, Per Oeyvind

1998-03-01

Understanding of what makes a control room situation difficult to handle is important when studying operator performance, both with respect to prediction as well as improvement of the human performance. A factor analytic approach identified eight factors from operators' answers to an 39 item questionnaire about complexity of the operator's task in the control room. A Complexity Profiling Questionnaire was developed, based on the factor analytic results from the operators' conception of complexity. The validity of the identified complexity factors was studied by prediction of crew performance and prediction of plant performance from ratings of the complexity of scenarios. The scenarios were rated by both process experts and the operators participating in the scenarios, using the Complexity Profiling Questionnaire. The process experts' complexity ratings predicted both crew performance and plant performance, while the operators' rating predicted plant performance only. The results reported are from initial studies of complexity, and imply a promising potential for further studies of the concept. The approach used in the study as well as the reported results are discussed. A chapter about the structure of the conception of complexity, and a chapter about further research conclude the report. (author)

Neurosurgical implications of Carney complex.

Science.gov (United States)

Watson, J C; Stratakis, C A; Bryant-Greenwood, P K; Koch, C A; Kirschner, L S; Nguyen, T; Carney, J A; Oldfield, E H

2000-03-01

The authors present their neurosurgical experience with Carney complex. Carney complex, characterized by spotty skin pigmentation, cardiac myxomas, primary pigmented nodular adrenocortical disease, pituitary tumors, and nerve sheath tumors (NSTs), is a recently described, rare, autosomal-dominant familial syndrome that is relatively unknown to neurosurgeons. Neurosurgery is required to treat pituitary adenomas and a rare NST, the psammomatous melanotic schwannoma (PMS), in patients with Carney complex. Cushing's syndrome, a common component of the complex, is caused by primary pigmented nodular adrenocortical disease and is not secondary to an adrenocorticotropic hormone-secreting pituitary adenoma. The authors reviewed 14 cases of Carney complex, five from the literature and nine from their own experience. Of the 14 pituitary adenomas recognized in association with Carney complex, 12 developed growth hormone (GH) hypersecretion (producing gigantism in two patients and acromegaly in 10), and results of immunohistochemical studies in one of the other two were positive for GH. The association of PMSs with Carney complex was established in 1990. Of the reported tumors, 28% were associated with spinal nerve sheaths. The spinal tumors occurred in adults (mean age 32 years, range 18-49 years) who presented with pain and radiculopathy. These NSTs may be malignant (10%) and, as with the cardiac myxomas, are associated with significant rates of morbidity and mortality. Because of the surgical comorbidity associated with cardiac myxoma and/or Cushing's syndrome, recognition of Carney complex has important implications for perisurgical patient management and family screening. Study of the genetics of Carney complex and of the biological abnormalities associated with the tumors may provide insight into the general pathobiological abnormalities associated with the tumors may provide insight into the general pathobiological features of pituitary adenomas and NSTs.

Is dense codeswitching complex?

NARCIS (Netherlands)

Dorleijn, M.

In this paper the question is raised to what extent dense code switching can be considered complex. Psycholinguistic experiments indicate that code switching involves cognitive costs, both in production and comprehension, a conclusion that could indicate that code switching is indeed complex. In

Ternary complex formation at mineral/solution interfaces

International Nuclear Information System (INIS)

Leckie, J.O.

1995-01-01

Adsorption of trace concentrations of radionuclides and heavy metals from aqueous solution is dependent on pH, absorbent and adsorbate concentration, and speciation of the metal in solution. In particular, complexation of metal ions by organic and inorganic ligands can dramatically alter adsorption behavior compared to ligand-free systems. The presence of complexing ligands can cause the formation of ''metal like'' or ''ligand like'' ternary surface complexes depending on whether adsorption of the ternary complex increases or decreases with increasing pH, respectively. Examples of ternary surface complexes behaving ''metal like'' include uranyl-EDTA surface complexes on goethite, neptunyl-EDTA surface complexes on hematite and neptunyl-humic surface complexes on gibbsite. Examples of ''ligand like'' ternary surface complexes include uranyl-carbonato and neptunyl-carbonato surface complexes on iron oxides. The effects of complex solutions and multimineralic systems are discussed. (authors). 39 refs., 16 figs., 8 tabs

Information geometric methods for complexity

Science.gov (United States)

Felice, Domenico; Cafaro, Carlo; Mancini, Stefano

2018-03-01

Research on the use of information geometry (IG) in modern physics has witnessed significant advances recently. In this review article, we report on the utilization of IG methods to define measures of complexity in both classical and, whenever available, quantum physical settings. A paradigmatic example of a dramatic change in complexity is given by phase transitions (PTs). Hence, we review both global and local aspects of PTs described in terms of the scalar curvature of the parameter manifold and the components of the metric tensor, respectively. We also report on the behavior of geodesic paths on the parameter manifold used to gain insight into the dynamics of PTs. Going further, we survey measures of complexity arising in the geometric framework. In particular, we quantify complexity of networks in terms of the Riemannian volume of the parameter space of a statistical manifold associated with a given network. We are also concerned with complexity measures that account for the interactions of a given number of parts of a system that cannot be described in terms of a smaller number of parts of the system. Finally, we investigate complexity measures of entropic motion on curved statistical manifolds that arise from a probabilistic description of physical systems in the presence of limited information. The Kullback-Leibler divergence, the distance to an exponential family and volumes of curved parameter manifolds, are examples of essential IG notions exploited in our discussion of complexity. We conclude by discussing strengths, limits, and possible future applications of IG methods to the physics of complexity.

European Conference on Complex Systems 2012

CERN Document Server

Kirkilionis, Markus; Nicolis, Gregoire

2013-01-01

The European Conference on Complex Systems, held under the patronage of the Complex Systems Society, is an annual event that has become the leading European conference devoted to complexity science. ECCS'12, its ninth edition, took place in Brussels, during the first week of September 2012. It gathered about 650 scholars representing a wide range of topics relating to complex systems research, with emphasis on interdisciplinary approaches. More specifically, the following tracks were covered:  1. Foundations of Complex Systems 2. Complexity, Information and Computation 3. Prediction, Policy and Planning, Environment 4. Biological Complexity 5. Interacting Populations, Collective Behavior 6. Social Systems, Economics and Finance This book contains a selection of the contributions presented at the conference and its satellite meetings. Its contents reflect the extent, diversity and richness of research areas in the field, both fundamental and applied.  

Influence of Hydrophobicity on Polyelectrolyte Complexation

Energy Technology Data Exchange (ETDEWEB)

Sadman, Kazi [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States; Wang, Qifeng [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States; Chen, Yaoyao [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States; Keshavarz, Bavand [Department; Jiang, Zhang [X-ray; Shull, Kenneth R. [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States

2017-11-16

Polyelectrolyte complexes are a fascinating class of soft materials that can span the full spectrum of mechanical properties from low viscosity fluids to glassy solids. This spectrum can be accessed by modulating the extent of electrostatic association in these complexes. However, to realize the full potential of polyelectrolyte complexes as functional materials their molecular level details need to be clearly correlated with their mechanical response. The present work demonstrates that by making simple amendments to the chain architecture it is possible to affect the salt responsiveness of polyelectrolyte complexes in a systematic manner. This is achieved by quaternizing poly(4-vinylpyridine) (QVP) with methyl, ethyl and propyl substituents– thereby increasing the hydrophobicity with increasing side chain length– and complexing them with a common anionic polyelectrolyte, poly(styrene sulfonate). The mechanical 1 ACS Paragon Plus Environment behavior of these complexes is compared to the more hydrophilic system of poly(styrene sulfonate) and poly(diallyldimethylammonium) by quantifying the swelling behavior in response to salt stimuli. More hydrophobic complexes are found to be more resistant to doping by salt, yet the mechanical properties of the complex remain contingent on the overall swelling ratio of the complex itself, following near universal swelling-modulus master curves that are quantified in this work. The rheological behavior of QVP complex coacervates are found to be approximately the same, only requiring higher salt concentrations to overcome strong hydrophobic interactions, demonstrating that hydrophobicity can be used as an important parameter for tuning the stability of polyelectrolyte complexes in general, while still preserving the ability to be processed “saloplastically”.

Complexity leadership: a healthcare imperative.

Science.gov (United States)

Weberg, Dan

2012-01-01

The healthcare system is plagued with increasing cost and poor quality outcomes. A major contributing factor for these issues is that outdated leadership practices, such as leader-centricity, linear thinking, and poor readiness for innovation, are being used in healthcare organizations. Complexity leadership theory provides a new framework with which healthcare leaders may practice leadership. Complexity leadership theory conceptualizes leadership as a continual process that stems from collaboration, complex systems thinking, and innovation mindsets. Compared to transactional and transformational leadership concepts, complexity leadership practices hold promise to improve cost and quality in health care. © 2012 Wiley Periodicals, Inc.

COMPLEX TRAINING: A BRIEF REVIEW

Directory of Open Access Journals (Sweden)

William P. Ebben

2002-06-01

Full Text Available The effectiveness of plyometric training is well supported by research. Complex training has gained popularity as a training strategy combining weight training and plyometric training. Anecdotal reports recommend training in this fashion in order to improve muscular power and athletic performance. Recently, several studies have examined complex training. Despite the fact that questions remain about the potential effectiveness and implementation of this type of training, results of recent studies are useful in guiding practitioners in the development and implementation of complex training programs. In some cases, research suggests that complex training has an acute ergogenic effect on upper body power and the results of acute and chronic complex training include improved jumping performance. Improved performance may require three to four minutes rest between the weight training and plyometrics sets and the use of heavy weight training loads

European Conference on Complex Systems

CERN Document Server

Pellegrini, Francesco; Caldarelli, Guido; Merelli, Emanuela

2016-01-01

This work contains a stringent selection of extended contributions presented at the meeting of 2014 and its satellite meetings, reflecting scope, diversity and richness of research areas in the field, both fundamental and applied. The ECCS meeting, held under the patronage of the Complex Systems Society, is an annual event that has become the leading European conference devoted to complexity science. It offers cutting edge research and unique opportunities to study novel scientific approaches in a multitude of application areas. ECCS'14, its eleventh occurrence, took place in Lucca, Italy. It gathered some 650 scholars representing a wide range of topics relating to complex systems research, with emphasis on interdisciplinary approaches. The editors are among the best specialists in the area. The book is of great interest to scientists, researchers and graduate students in complexity, complex systems and networks.

The Seis Lagos Carbonatite Complex

International Nuclear Information System (INIS)

Issler, R.S.; Silva, G.G. da.

1980-01-01

The Seis Lagos Carbonatite Complex located about 840 Km from Manaus, on the northwestern part of the Estado do Amazonas, Brazil is described. Geological reconnaissance mapping by Radam Project/DNPM, of the southwestern portion of the Guianes Craton, determined three circular features arranged in a north-south trend and outcroping as thick lateritic radioactive hills surrounded by gneisses and mignatites of the peneplained Guianense Complex. Results of core drilling samples analysis of the Seis Lagos Carbonatite Complex are compared with some igneous rocks and limestones of the world on the basis of abundance of their minor and trace elements. Log-log variation diagram of strontium and barium in carbonatite and limestone, exemplifield by South Africa and Angola carbonatites, are compared with the Seis Lagos Carbonatite Complex. The Seis Lagos Carbonatite Complex belongs to the siderite-soevite type. (E.G.) [pt

Complex/Symplectic Mirrors

Energy Technology Data Exchange (ETDEWEB)

Chuang, Wu-yen; Kachru, Shamit; /Stanford U., ITP /SLAC; Tomasiello, Alessandro; /Stanford U., ITP

2005-10-28

We construct a class of symplectic non-Kaehler and complex non-Kaehler string theory vacua, extending and providing evidence for an earlier suggestion by Polchinski and Strominger. The class admits a mirror pairing by construction. Comparing hints from a variety of sources, including ten-dimensional supergravity and KK reduction on SU(3)-structure manifolds, suggests a picture in which string theory extends Reid's fantasy to connect classes of both complex non-Kaehler and symplectic non-Kaehler manifolds.

Different cell disruption methods for astaxanthin recovery by Phaffia ...

African Journals Online (AJOL)

Y17268, drying and freeze pretreatments were tested by different cell disruption methods: abrasion with celite, glass pearls in vortex agitator, ultrasonic waves, sodium carbonate (Na2CO3) and dimethyl sulfoxide (DMSO). The method with ...

Disentangling Complexity from Randomness and Chaos

Directory of Open Access Journals (Sweden)

Lena C. Zuchowski

2012-02-01

Full Text Available This study aims to disentangle complexity from randomness and chaos, and to present a definition of complexity that emphasizes its epistemically distinct qualities. I will review existing attempts at defining complexity and argue that these suffer from two major faults: a tendency to neglect the underlying dynamics and to focus exclusively on the phenomenology of complex systems; and linguistic imprecisions in describing these phenomenologies. I will argue that the tendency to discuss phenomenology removed from the underlying dynamics is the main root of the difficulties in distinguishing complex from chaotic or random systems. In my own definition, I will explicitly try to avoid these pitfalls. The theoretical contemplations in this paper will be tested on a sample of five models: the random Kac ring, the chaotic CA30, the regular CA90, the complex CA110 and the complex Bak-Sneppen model. Although these modelling studies are restricted in scope and can only be seen as preliminary, they still constitute on of the first attempts to investigate complex systems comparatively.

Extending Life Concepts to Complex Systems

Directory of Open Access Journals (Sweden)

Jean Le Fur

2013-01-01

Full Text Available There is still no consensus definition of complex systems. This article explores, as a heuristic approach, the possibility of using notions associated with life as transversal concepts for defining complex systems. This approach is developed within a general classification of systems, with complex systems considered as a general ‘living things’ category and living organisms as a specialised class within this category. Concepts associated with life are first explored in the context of complex systems: birth, death and lifetime, adaptation, ontogeny and growth, reproduction. Thereafter, a refutation approach is used to test the proposed classification against a set of diverse systems, including a reference case, edge cases and immaterial complex systems. The summary of this analysis is then used to generate a definition of complex systems, based on the proposal, and within the background of cybernetics, complex adaptive systems and biology. Using notions such as ‘birth’ or ‘lifespan’ as transversal concepts may be of heuristic value for the generic characterization of complex systems, opening up new lines of research for improving their definition.

Complexation of buffer constituents with neutral complexation agents: part I. Impact on common buffer properties.

Science.gov (United States)

Riesová, Martina; Svobodová, Jana; Tošner, Zdeněk; Beneš, Martin; Tesařová, Eva; Gaš, Bohuslav

2013-09-17

The complexation of buffer constituents with the complexation agent present in the solution can very significantly influence the buffer properties, such as pH, ionic strength, or conductivity. These parameters are often crucial for selection of the separation conditions in capillary electrophoresis or high-pressure liquid chromatography (HPLC) and can significantly affect results of separation, particularly for capillary electrophoresis as shown in Part II of this paper series (Beneš, M.; Riesová, M.; Svobodová, J.; Tesařová, E.; Dubský, P.; Gaš, B. Anal. Chem. 2013, DOI: 10.1021/ac401381d). In this paper, the impact of complexation of buffer constituents with a neutral complexation agent is demonstrated theoretically as well as experimentally for the model buffer system composed of benzoic acid/LiOH or common buffers (e.g., CHES/LiOH, TAPS/LiOH, Tricine/LiOH, MOPS/LiOH, MES/LiOH, and acetic acid/LiOH). Cyclodextrins as common chiral selectors were used as model complexation agents. We were not only able to demonstrate substantial changes of pH but also to predict the general complexation characteristics of selected compounds. Because of the zwitterion character of the common buffer constituents, their charged forms complex stronger with cyclodextrins than the neutral ones do. This was fully proven by NMR measurements. Additionally complexation constants of both forms of selected compounds were determined by NMR and affinity capillary electrophoresis with a very good agreement of obtained values. These data were advantageously used for the theoretical descriptions of variations in pH, depending on the composition and concentration of the buffer. Theoretical predictions were shown to be a useful tool for deriving some general rules and laws for complexing systems.

Alanine water complexes.

Science.gov (United States)

Vaquero, Vanesa; Sanz, M Eugenia; Peña, Isabel; Mata, Santiago; Cabezas, Carlos; López, Juan C; Alonso, José L

2014-04-10

Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.

Solution chemistry of lanthanide complexes

International Nuclear Information System (INIS)

Brittain, H.G.

1979-01-01

Intermolecular energy transfer from Tb 3+ to Eu 3+ , luminescence intensity measurements, potentiometric titrations, differential absorption spectroscopy, and spectroscopic titrations were all used to study the binding of lanthanide ions by serine and threonine. At low pH (3.0 to 6.0) the complexes are mononuclear and ligand is only weakly bound. In the pH interval of 6.0 to 8.5 stronger interaction takes place between the ligand and the metal (with possible coordination of the undissociated hydroxyl group), and self-association of complexes becomes important. Above pH 8.5, base hydrolysis of the complexes leads to highly associated species in solution and shortly above this pH an insoluble precipitate is formed. It was found that energy could be transferred from Tb 3+ to Eu 3+ more efficiently among complexes prepared from racemic ligands than in complexes made from resolved ligand, but this stereoselectivity was only observed at pH values greater than 6.5 and in solutions having a 1:10 ratio of metal-to-ligand. No stereoselectivity was found in solutions having 1:5 ratios, and this observation was explained by the existence of 1:2 metal-ligand complexes existing in solutions having the higher ratio of metal-to-ligand (only 1:1 complexes are then found at lower ratios of metal-to-ligand). (author)

Real and complex analysis

CERN Document Server

Apelian, Christopher; Taft, Earl; Nashed, Zuhair

2009-01-01

The Spaces R, Rk, and CThe Real Numbers RThe Real Spaces RkThe Complex Numbers CPoint-Set Topology Bounded SetsClassification of Points Open and Closed SetsNested Intervals and the Bolzano-Weierstrass Theorem Compactness and Connectedness Limits and Convergence Definitions and First Properties Convergence Results for SequencesTopological Results for Sequences Properties of Infinite SeriesManipulations of Series in RFunctions: Definitions and Limits DefinitionsFunctions as MappingsSome Elementary Complex FunctionsLimits of FunctionsFunctions: Continuity and Convergence Continuity Uniform Continuity Sequences and Series of FunctionsThe DerivativeThe Derivative for f: D1 → RThe Derivative for f: Dk → RThe Derivative for f: Dk → RpThe Derivative for f: D → CThe Inverse and Implicit Function TheoremsReal IntegrationThe Integral of f: [a, b] → RProperties of the Riemann Integral Further Development of Integration TheoryVector-Valued and Line IntegralsComplex IntegrationIntroduction to Complex Integrals Fu...

Unifying Complexity and Information

Science.gov (United States)

Ke, Da-Guan

2013-04-01

Complex systems, arising in many contexts in the computer, life, social, and physical sciences, have not shared a generally-accepted complexity measure playing a fundamental role as the Shannon entropy H in statistical mechanics. Superficially-conflicting criteria of complexity measurement, i.e. complexity-randomness (C-R) relations, have given rise to a special measure intrinsically adaptable to more than one criterion. However, deep causes of the conflict and the adaptability are not much clear. Here I trace the root of each representative or adaptable measure to its particular universal data-generating or -regenerating model (UDGM or UDRM). A representative measure for deterministic dynamical systems is found as a counterpart of the H for random process, clearly redefining the boundary of different criteria. And a specific UDRM achieving the intrinsic adaptability enables a general information measure that ultimately solves all major disputes. This work encourages a single framework coving deterministic systems, statistical mechanics and real-world living organisms.

Workspace Program for Complex-Number Arithmetic

Science.gov (United States)

Patrick, M. C.; Howell, Leonard W., Jr.

1986-01-01

COMPLEX is workspace program designed to empower APL with complexnumber capabilities. Complex-variable methods provide analytical tools invaluable for applications in mathematics, science, and engineering. COMPLEX written in APL.

Is a "Complex" Task Really Complex? Validating the Assumption of Cognitive Task Complexity

Science.gov (United States)

Sasayama, Shoko

2016-01-01

In research on task-based learning and teaching, it has traditionally been assumed that differing degrees of cognitive task complexity can be inferred through task design and/or observations of differing qualities in linguistic production elicited by second language (L2) communication tasks. Without validating this assumption, however, it is…

Linearization Method and Linear Complexity

Science.gov (United States)

Tanaka, Hidema

We focus on the relationship between the linearization method and linear complexity and show that the linearization method is another effective technique for calculating linear complexity. We analyze its effectiveness by comparing with the logic circuit method. We compare the relevant conditions and necessary computational cost with those of the Berlekamp-Massey algorithm and the Games-Chan algorithm. The significant property of a linearization method is that it needs no output sequence from a pseudo-random number generator (PRNG) because it calculates linear complexity using the algebraic expression of its algorithm. When a PRNG has n [bit] stages (registers or internal states), the necessary computational cost is smaller than O(2n). On the other hand, the Berlekamp-Massey algorithm needs O(N2) where N(≅2n) denotes period. Since existing methods calculate using the output sequence, an initial value of PRNG influences a resultant value of linear complexity. Therefore, a linear complexity is generally given as an estimate value. On the other hand, a linearization method calculates from an algorithm of PRNG, it can determine the lower bound of linear complexity.

Complex conductivity of soils

NARCIS (Netherlands)

Revil, A.; Coperey, A.; Shao, Z.; Florsch, N.; Fabricus, I.L.; Deng, Y.; Delsman, J.R.; Pauw, P.S.; Karaoulis, M.; Louw, P.G.B. de; Baaren, E.S. van; Dabekaussen, W.; Menkovic, A.; Gunnink, J.L.

2017-01-01

The complex conductivity of soils remains poorly known despite the growing importance of this method in hydrogeophysics. In order to fill this gap of knowledge, we investigate the complex conductivity of 71 soils samples (including four peat samples) and one clean sand in the frequency range 0.1 Hz

Complexity Metrics for Workflow Nets

DEFF Research Database (Denmark)

Lassen, Kristian Bisgaard; van der Aalst, Wil M.P.

2009-01-01

analysts have difficulties grasping the dynamics implied by a process model. Recent empirical studies show that people make numerous errors when modeling complex business processes, e.g., about 20 percent of the EPCs in the SAP reference model have design flaws resulting in potential deadlocks, livelocks......, etc. It seems obvious that the complexity of the model contributes to design errors and a lack of understanding. It is not easy to measure complexity, however. This paper presents three complexity metrics that have been implemented in the process analysis tool ProM. The metrics are defined...... for a subclass of Petri nets named Workflow nets, but the results can easily be applied to other languages. To demonstrate the applicability of these metrics, we have applied our approach and tool to 262 relatively complex Protos models made in the context of various student projects. This allows us to validate...

Complex quantum groups

International Nuclear Information System (INIS)

Drabant, B.; Schlieker, M.

1993-01-01

The complex quantum groups are constructed. They are q-deformations of the real Lie groups which are obtained as the complex groups corresponding to the Lie algebras of type A n-1 , B n , C n . Following the ideas of Faddeev, Reshetikhin and Takhtajan Hopf algebras of regular functionals U R for these complexified quantum groups are constructed. One has thus in particular found a construction scheme for the q-Lorentz algebra to be identified as U(sl q (2,C). (orig.)

Abundant Rodent Furan-Derived Urinary Metabolites Are Associated with Tobacco Smoke Exposure in Humans.

Science.gov (United States)

Grill, Alex E; Schmitt, Thaddeus; Gates, Leah A; Lu, Ding; Bandyopadhyay, Dipankar; Yuan, Jian-Min; Murphy, Sharon E; Peterson, Lisa A

2015-07-20

Furan, a possible human carcinogen, is found in heat treated foods and tobacco smoke. Previous studies have shown that humans are capable of converting furan to its reactive metabolite, cis-2-butene-1,4-dial (BDA), and therefore may be susceptible to furan toxicity. Human risk assessment of furan exposure has been stymied because of the lack of mechanism-based exposure biomarkers. Therefore, a sensitive LC-MS/MS assay for six furan metabolites was applied to measure their levels in urine from furan-exposed rodents as well as in human urine from smokers and nonsmokers. The metabolites that result from direct reaction of BDA with lysine (BDA-N(α)-acetyllysine) and from cysteine-BDA-lysine cross-links (N-acetylcysteine-BDA-lysine, N-acetylcysteine-BDA-N(α)-acetyllysine, and their sulfoxides) were targeted in this study. Five of the six metabolites were identified in urine from rodents treated with furan by gavage. BDA-N(α)-acetyllysine, N-acetylcysteine-BDA-lysine, and its sulfoxide were detected in most human urine samples from three different groups. The levels of N-acetylcysteine-BDA-lysine sulfoxide were more than 10 times higher than that of the corresponding sulfide in many samples. The amount of this metabolite was higher in smokers relative to that in nonsmokers and was significantly reduced following smoking cessation. Our results indicate a strong relationship between BDA-derived metabolites and smoking. Future studies will determine if levels of these biomarkers are associated with adverse health effects in humans.

β-thymosins and interstitial lung disease: study of a scleroderma cohort with a one-year follow-up

Directory of Open Access Journals (Sweden)

Messana Irene

2011-02-01

Full Text Available Abstract Background β-thymosins play roles in cytoskeleton rearrangement, angiogenesis, fibrosis and reparative process, thus suggesting a possible involvement in the pathogenesis of systemic sclerosis. The aim of the study was to investigate the presence of thymosins β4, β4 sulfoxide, and β10 in bronchoalveolar lavage fluid of scleroderma patients with interstitial lung disease and the relation of these factors with pulmonary functional and radiological parameters. Methods β-thymosins concentrations were determined by Reverse Phase-High Performance Liquid Chromatography-Electrospray-Mass Spectrometry in the bronchoalveolar lavage fluid of 46 scleroderma patients with lung involvement and of 15 controls. Results Thymosin β4, β4 sulfoxide, and β10 were detectable in bronchoalveolar lavage fluid of patients and controls. Thymosin β4 levels were significantly higher in scleroderma patients than in controls. In addition, analyzing the progression of scleroderma lung disease at one-year follow-up, we have found that higher thymosin β4 levels seem to have a protective role against lung tissue damage. Thymosin β4 sulfoxide levels were higher in the smokers and in the scleroderma patients with alveolitis. Conclusions We describe for the first time β-thymosins in bronchoalveolar lavage fluid and their possible involvement in the pathogenesis of scleroderma lung disease. Thymosin β4 seems to have a protective role against lung tissue damage, while its oxidation product mirrors an alveolar inflammatory status.

Quantity and quality of guinea pig (cavia porcellus) spermatozoa after administration of methanol extract of bitter melon (momordica charantia) seed and depot medroxy progesterone acetate (DMPA)

Science.gov (United States)

Ilyas, Syafruddin; Hutahaean, Salomo; Nursal

2018-03-01

The discovery of male contraceptive drugs continues to be pursued, due to the few participation of men associated with the lack of contraceptive options for men. The combination of bitter melon seed methanol extract and DMPA are the options that currently apply to men. Therefore, the use of guinea pigs as experimental animals conducted research using experimental methods with complete randomized design (CRD). There are 4 control groups and 4 treatment groups. The first group, control group of dimethyl sulphoxide (DMSO) for 0 week (K0), The second one, bitter melon seed extract of 50 mg/100g Body Weight/day for 0 week (P0), the third one, control group of dimethyl sulfoxide (DMSO) for 4 weeks (K1), the fourth one, bitter melon seed extract of 50 mg/100g BW/day for 4 weeks + Depot medroxy Progesterone Acetate (P1), the fifth one, control group of dimethyl sulfoxide (DMSO) for 8 weeks (K2), the sixth one, bitter melon seed extract of 50 mg/100g BW/day for 8 weeks + DMPA (P2), the seventh one, control group of dimethyl sulfoxide (DMSO) for 12 weeks (K3), the eighth one, bitter melon seed extract of 50 mg/100g BW/day for 12 weeks + DMPA (P3). Methanol extract of bitter melon seed to decrease the quantity and quality of guinea pig spermatozoa decreased significantly, i.e. viability and normal morphology of spermatozoa (p<0.05).

Complexity Intelligence and Cultural Coaching:

Directory of Open Access Journals (Sweden)

Jan Inglis

2005-06-01

Full Text Available In this article, we present the term complexity intelligence as a useful moniker to describe the reasoning ability, emotional capacity and social cognition necessary to meet the challenges of our prevailing life conditions. We suggest that, as a society and as individuals, we develop complexity intelligence as we navigate the gap between our current capacities and the capacities needed to respond to the next stage of complex challenges in our lives. We further suggest that it is possible to stimulate and support the emergence of complexity intelligence in a society, but we need a new form of social change agent - a cultural coach, to midwife its emergence.

Complex manifolds in relativity

International Nuclear Information System (INIS)

Flaherty, E.J. Jr.

1975-01-01

Complex manifold theory is applied to the study of certain problems in general relativity. The first half of the work is devoted to the mathematical theory of complex manifold. Then a brief review of general relativity is given. It is shown that any spacetime admits locally an almost Hermitian structure, suitably modified to be compatible with the indefinite metric of spacetime. This structure is integrable if and only if the spacetime admits two geodesic and shearfree null congruences, thus in particular if the spacetime is type D vacuum or electrified. The structure is ''half-integrable'' in a suitable sense if and only if the spacetime admits one geodesic and shearfree null congruence, thus in particular for all algebraically special vacuum spacetimes. Conditions for the modified Hermitian spacetime to be Kahlerian are presented. The most general metric for such a modified Kahlerian spacetime is found. It is shown that the type D vacuum and electrified spacetimes are conformally related to modified Kahlerian spacetimes by a generally complex conformal factor. These latter are shown to possess a very rich structure, including the existence of Killing tensors and Killing vectors. A new ''explanation'' of Newman's complex coordinate transformations is given. It is felt to be superior to previous ''explanations'' on several counts. For example, a physical interpretation in terms of a symmetry group is given. The existence of new complex coordinate transformations is established: Nt is shown that any type D vacuum spacetime is obtainable from either Schwarzschild spacetime or ''C'' spacetime by a complex coordinate transformation. Finally, some related topics are discussed and areas for future work are outlined. (Diss. Abstr. Int., B)

Leadership and transitions: maintaining the science in complexity and complex systems.

Science.gov (United States)

Sturmberg, Joachim P; Martin, Carmel M

2012-02-01

It is the 'moral compass', however subtle, that underpins leadership. Leadership, meaning showing the way, demands as much conviction as gentile diplomacy in the discourse with supporters and detractors. In particular, leadership defends the goal by safeguarding its principles from its detractors. The authors writing in the Forum on Complexity in Medicine and Healthcare since its inception are leaders in an intellectual transition to complex systems thinking in medicine and health. © 2012 Blackwell Publishing Ltd.

A replacement solvent for dimethylsulfoxide /DMSO/ in CW dye lasers

Energy Technology Data Exchange (ETDEWEB)

Herbelin, J.M.; McKay, J.A.

1981-01-01

The use of propylene glycol carbonate as a replacement solvent for dimethyl sulfoxide in a Coherent model 599-21 CW dye laser has been investigated. Up to 40 milliwatts of single frequency output was achieved at 875 nm.

Bestrijdingsmiddelen in oppervlaktewater van het Westland

NARCIS (Netherlands)

Greve PA; Luttik R; Linders JBHJ

1989-01-01

Oppervlaktewatermonsters, maandelijks genomen op 10 punten in het Westland gedurende de periode april 1988 t/m januari 1989, zijn onderzocht op het voorkomen van 77 bestrijdingsmiddelen en verwante stoffen. Aldicarb-sulfon, aldicarb-sulfoxide, atrazin, diazinon, dichlobenil, alpha- en

Assessing Complexity in Learning Outcomes--A Comparison between the SOLO Taxonomy and the Model of Hierarchical Complexity

Science.gov (United States)

Stålne, Kristian; Kjellström, Sofia; Utriainen, Jukka

2016-01-01

An important aspect of higher education is to educate students who can manage complex relationships and solve complex problems. Teachers need to be able to evaluate course content with regard to complexity, as well as evaluate students' ability to assimilate complex content and express it in the form of a learning outcome. One model for evaluating…

Managing and engineering in complex situations

CERN Document Server

Sousa-Poza, Andres

2013-01-01

With so many terms available to define the same thing, it would seem nearly irresponsible to introduce yet another term (complex situation) to describe a phenomenological state of such as a system. However, a complex situation infers both a broader meaning and imposes a different perspective. Complex in this context is dependent on understanding and reality rather than observer and knowledge.   Situation imposes a gestalt that cannot be characterized within a singular perspective that relegates paradox to a superior/subordinate hierarchy. This also infers that complex situation has no monotonic definition or each definition is by default incomplete. Therefore the perennial derivations for systems such as complex systems, system of systems, federation of systems is no longer a sufficient descriptor for complex situation.  Ergo system and its genealogy lack the constitution to define complex situations. The books' intent is to explore this pathology through a series of papers written by authors that work in ...

Complexation of carboxylate on smectite surfaces.

Science.gov (United States)

Liu, Xiandong; Lu, Xiancai; Zhang, Yingchun; Zhang, Chi; Wang, Rucheng

2017-07-19

We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces. By taking acetate as a model carboxylate, we investigate its inner-sphere complexes adsorbed on clay edges (including (010) and (110) surfaces) and in interlayer space. Simulations show that acetate forms stable monodentate complexes on edge surfaces and a bidentate complex with Ca 2+ in the interlayer region. The free energy calculations indicate that the complexation on edge surfaces is slightly more stable than in interlayer space. By integrating pK a s and desorption free energies of Al coordinated water calculated previously (X. Liu, X. Lu, E. J. Meijer, R. Wang and H. Zhou, Geochim. Cosmochim. Acta, 2012, 81, 56-68; X. Liu, J. Cheng, M. Sprik, X. Lu and R. Wang, Geochim. Cosmochim. Acta, 2014, 140, 410-417), the pH dependence of acetate complexation has been revealed. It shows that acetate forms inner-sphere complexes on (110) in a very limited mildly acidic pH range while it can complex on (010) in the whole common pH range. The results presented in this study form a physical basis for understanding the geochemical processes involving clay-organics interactions.

An index of floodplain surface complexity

Science.gov (United States)

Scown, Murray W.; Thoms, Martin C.; DeJager, Nathan R.

2016-01-01

Floodplain surface topography is an important component of floodplain ecosystems. It is the primary physical template upon which ecosystem processes are acted out, and complexity in this template can contribute to the high biodiversity and productivity of floodplain ecosystems. There has been a limited appreciation of floodplain surface complexity because of the traditional focus on temporal variability in floodplains as well as limitations to quantifying spatial complexity. An index of floodplain surface complexity (FSC) is developed in this paper and applied to eight floodplains from different geographic settings. The index is based on two key indicators of complexity, variability in surface geometry (VSG) and the spatial organisation of surface conditions (SPO), and was determined at three sampling scales. FSC, VSG, and SPO varied between the eight floodplains and these differences depended upon sampling scale. Relationships between these measures of spatial complexity and seven geomorphological and hydrological drivers were investigated. There was a significant decline in all complexity measures with increasing floodplain width, which was explained by either a power, logarithmic, or exponential function. There was an initial rapid decline in surface complexity as floodplain width increased from 1.5 to 5 km, followed by little change in floodplains wider than 10 km. VSG also increased significantly with increasing sediment yield. No significant relationships were determined between any of the four hydrological variables and floodplain surface complexity.

Biosynthesis and Accumulation of Sulphur Compounds in White Radish During the First Three Days of Sprouting

Directory of Open Access Journals (Sweden)

Maria Doinița Borș

2015-11-01

Full Text Available  Glucosinolates (GLs and S-methyl cysteine sulfoxide (SMCSO are natural sulphur containing phytochemicals. They are two of the most important bioactive compounds found in brassica vegetables, which are highly regarded for their health-promoting activity. In this study we have analysed the content of GLs and SMCSO in white radish, by an HPLC-MS method, in order to illustrate their biosynthesis and accumulation during the first 72 hours of sprouting. Total GLs content ranged between  54.17 and 126.86 µmol/g DW. There were eight GLs identified, in radish sprouts and around 94 % of them were aliphatic. Obvious differences, during the 72 hours of sprouting, were noticed in glucoraphenin and glucoraphasatin. S-methyl cysteine sulfoxide content ranged between 0.21 and 35.95 µmol/g DW. Our results revealed a negative strong correlation between GLs and SMCSO.

Preparation and characterization of intrinsically coloured polymers using high energy radiation induced processes

International Nuclear Information System (INIS)

Guthrie, J.T.

1978-07-01

Information on the development in research is given in the utilization of high energy radiation sources in polymerizations and on polymer characterization in the following three areas: studies on the nitrile-styrene system, studies on the radiation induced polymerization of 2-vinyl anthraquinone and the graft polymerization of vinyl monomers onto cellulose in the DMSO/HCHO/cellulose system. Within the framework of research in radiation induced polymerization, samples of 2-vinyl anthraquinone were subjected to X-ray diffraction and e.s.r. examinations and the kinetics and mechanism of γ-ray induced solution polymerization of 2-vinyl anthraquinone in methylene chloride and dimethyl sulfoxide was investigated. Methylene chloride was found to be an efficient solvent for poly(2-vinyl anthraquinone). The rate of polymerization in methylene chloride was 10 3 times greater than that obtained using dimethyl sulfoxide as solvent

Moessbauer study of iron-sugar complexes

International Nuclear Information System (INIS)

Tonkovic, M.; Music, S.; Hadzija, O.; Nagy-Czako, I.; Vertes, A.

1982-01-01

Ferric-fructose complex has been prepared using FeCl 3 and Fe(NO 3 ) 3 solutions. Molecular weight determination and Moessbauer spectroscopic measurements proved that the ferric-fructose complex is polymeric in solid state and also in aqueous solution. The synthesis of a new iron-sorbose complex has been performed. Its Moessbauer spectra indicate a structure similar to that of the iron-fructose complex. (author)

A study on the identification of cognitive complexity factors related to the complexity of procedural steps

Energy Technology Data Exchange (ETDEWEB)

Park, Jin Kyun; Jeong, Kwang Sup; Jung, Won Dea [KAERI, Taejon (Korea, Republic of)

2004-07-01

In complex systems, it is well recognized that the provision of understandable procedures that allow operators to clarify 'what needs to be done' and 'how to do it' is one of the requisites to confirm their safety. In this regard, the step complexity (SC) measure that can quantify the complexity of procedural steps in emergency operating procedures (EOPs) of a nuclear power plant (NPP) was suggested. However, the necessity of additional complexity factors that can consider a cognitive aspect in evaluating the complexity of procedural steps is evinced from the comparisons between SC scores and operators' performance data. To this end, the comparisons between operators' performance data with their behavior in conducting prescribed activities of procedural steps are conducted in this study. As a result, two kinds of complexity factors (the abstraction level of knowledge and the level of engineering decision) that could affect operators' cognitive burden are identified. Although a well-designed experiment is indispensable in confirming the appropriateness of cognitive complexity factors, it is strongly believed that the change of an operator's performance can be more authentically explained if they are taken into consideration.

A study on the identification of cognitive complexity factors related to the complexity of procedural steps

International Nuclear Information System (INIS)

Park, Jin Kyun; Jeong, Kwang Sup; Jung, Won Dea

2004-01-01

In complex systems, it is well recognized that the provision of understandable procedures that allow operators to clarify 'what needs to be done' and 'how to do it' is one of the requisites to confirm their safety. In this regard, the step complexity (SC) measure that can quantify the complexity of procedural steps in emergency operating procedures (EOPs) of a nuclear power plant (NPP) was suggested. However, the necessity of additional complexity factors that can consider a cognitive aspect in evaluating the complexity of procedural steps is evinced from the comparisons between SC scores and operators' performance data. To this end, the comparisons between operators' performance data with their behavior in conducting prescribed activities of procedural steps are conducted in this study. As a result, two kinds of complexity factors (the abstraction level of knowledge and the level of engineering decision) that could affect operators' cognitive burden are identified. Although a well-designed experiment is indispensable in confirming the appropriateness of cognitive complexity factors, it is strongly believed that the change of an operator's performance can be more authentically explained if they are taken into consideration

Three perspectives on complexity: entropy, compression, subsymmetry

Science.gov (United States)

Nagaraj, Nithin; Balasubramanian, Karthi

2017-12-01

There is no single universally accepted definition of `Complexity'. There are several perspectives on complexity and what constitutes complex behaviour or complex systems, as opposed to regular, predictable behaviour and simple systems. In this paper, we explore the following perspectives on complexity: effort-to-describe (Shannon entropy H, Lempel-Ziv complexity LZ), effort-to-compress (ETC complexity) and degree-of-order (Subsymmetry or SubSym). While Shannon entropy and LZ are very popular and widely used, ETC is relatively a new complexity measure. In this paper, we also propose a novel normalized complexity measure SubSym based on the existing idea of counting the number of subsymmetries or palindromes within a sequence. We compare the performance of these complexity measures on the following tasks: (A) characterizing complexity of short binary sequences of lengths 4 to 16, (B) distinguishing periodic and chaotic time series from 1D logistic map and 2D Hénon map, (C) analyzing the complexity of stochastic time series generated from 2-state Markov chains, and (D) distinguishing between tonic and irregular spiking patterns generated from the `Adaptive exponential integrate-and-fire' neuron model. Our study reveals that each perspective has its own advantages and uniqueness while also having an overlap with each other.

Softball Complex

Science.gov (United States)

Ellis, Jim

1977-01-01

The Parks and Recreation Department of Montgomery, Alabama, has developed a five-field softball complex as part of a growing community park with facilities for camping, golf, aquatics, tennis, and picnicking. (MJB)

Complex centers of polynomial differential equations

Directory of Open Access Journals (Sweden)

Mohamad Ali M. Alwash

2007-07-01

Full Text Available We present some results on the existence and nonexistence of centers for polynomial first order ordinary differential equations with complex coefficients. In particular, we show that binomial differential equations without linear terms do not have complex centers. Classes of polynomial differential equations, with more than two terms, are presented that do not have complex centers. We also study the relation between complex centers and the Pugh problem. An algorithm is described to solve the Pugh problem for equations without complex centers. The method of proof involves phase plane analysis of the polar equations and a local study of periodic solutions.

Zein nanocapsules as a tool for surface passivation, drug delivery and biofilm prevention

Directory of Open Access Journals (Sweden)

Stephen H. Kasper

2016-11-01

Full Text Available Current oral hygiene treatments focus on managing oral biofilms (i.e. dental plaque by broad antimicrobial strategies, indiscriminately killing both pathogenic and commensal microorganisms present in the oral cavity. In an effort to identify alternative approaches to antimicrobials, several research groups, including our own, have identified small molecule inhibitors that interrupt cell-cell signaling and biofilm formation, with potential to be selective against pathogens while leaving commensal flora unperturbed. A drawback to such inhibitors is their limited efficacy when used in acute exposures (e.g. mouthwash or brushing. In order to enhance bioavailability and maximize efficacy of these agents in a complex and dynamic environment such as the oral cavity, it is necessary to maintain a constant reservoir of the agents in situ. Therefore, we formulated a biofilm inhibitor delivery system by encapsulating an inhibitor of Streptococcus mutans biofilm formation, S-phenyl-L-cysteine sulfoxide, into zein nanocapsules. Nanocapsules formed 110–235 nm particles in a liquid-liquid dispersion synthesis procedure with S-phenyl-L-cysteine sulfoxide, as determined by dynamic light scattering. The inhibitor-loaded nanocapsules were then used to cast a film and subsequent S. mutans biofilm formation at this surface was studied. Nanocapsule films loaded with biofilm inhibitors were shown to deter early S. mutans biofilm development at 24 h, as well as reduce total viable biofilm-recovered cells at 48 h. This demonstrates proof-of-concept that biofilm inhibitor-loaded zein nanocapsules can reduce S. mutans biofilm growth, and demonstrates a new approach to extend the time that dental plaque inhibitors are present at the tooth surface. This approach has the potential to delay recolonization of the tooth and reduce oral infection/disease.