Sample records for benzaldehyde thiosemicarbazone derivatives

  1. 2-Chloro-5-nitro­benzaldehyde thio­semicarbazone

    PubMed Central

    Hao, Yu-Mei

    2010-01-01

    The title Schiff base compound, C8H7ClN4O2S, was prepared by the reaction of equimolar quanti­ties of 2-chloro-5-nitro­benzaldehyde with thio­semicarbazide in methanol. The mol­ecule adopts a trans configuration with respect to the azomethine group and the dihedral angle between the benzene ring and the thio­semicarbazide group is 6.8?(3)°. In the crystal, mol­ecules are linked through inter­molecular N—H?S hydrogen bonds, forming chains propagating in [010]. PMID:21587521

  2. 2-Hy­droxy-4-meth­oxy­benzaldehyde thio­semicarbazone

    PubMed Central

    Hao, Yu-Mei

    2010-01-01

    The title Schiff base compound, C9H11N3O2S, was prepared by the reaction of equimolar quanti­ties of 2-hy­droxy-4-meth­oxy­benzaldehyde with thio­semicarbazide in methanol. The mol­ecule adopts a trans configuration with respect to the azo­methine group and an intra­molecular O—H?N hydrogen bond generates an S(6) ring. In the crystal structure, mol­ecules are linked through inter­molecular N—H?O and N—H?S hydrogen bonds, forming a three-dimensional network. PMID:21588582

  3. The antimicrobial activity of lapachol and its thiosemicarbazone and semicarbazone derivatives

    PubMed Central

    Souza, Marina Azevêdo; Johann, Susana; Lima, Luciana Alves Rodrigues dos Santos; Campos, Fernanda Fraga; Mendes, Isolda Castro; Beraldo, Heloisa; de Souza-Fagundes, Elaine Maria; Cisalpino, Patrícia Silva; Rosa, Carlos Augusto; Alves, Tânia Maria de Almeida; de Sá, Nívea Pereira; Zani, Carlos Leomar

    2013-01-01

    Lapachol was chemically modified to obtain its thiosemicarbazone and semicarbazone derivatives. These compounds were tested for antimicrobial activity against several bacteria and fungi by the broth microdilution method. The thiosemicarbazone and semicarbazone derivatives of lapachol exhibited antimicrobial activity against the bacteria Enterococcus faecalis and Staphylococcus aureus with minimal inhibitory concentrations (MICs) of 0.05 and 0.10 µmol/mL, respectively. The thiosemicarbazone and semicarbazone derivatives were also active against the pathogenic yeast Cryptococcus gattii (MICs of 0.10 and 0.20 µmol/mL, respectively). In addition, the lapachol thiosemicarbazone derivative was active against 11 clinical isolates of Paracoccidioides brasiliensis, with MICs ranging from 0.01-0.10 µmol/mL. The lapachol-derived thiosemicarbazone was not cytotoxic to normal cells at the concentrations that were active against fungi and bacteria. We synthesised, for the first time, thiosemicarbazone and semicarbazone derivatives of lapachol. The MICs for the lapachol-derived thiosemicarbazone against S. aureus, E. faecalis, C. gattii and several isolates of P. brasiliensis indicated that this compound has the potential to be developed into novel drugs to treat infections caused these microbes. PMID:23778660

  4. Synthesis, molecular modeling, and biological evaluation of novel chiral thiosemicarbazone derivatives as potent anticancer agents.

    PubMed

    Ta?demir, Demet; Karaküçük-?yido?an, Ay?egül; Ula?li, Mustafa; Ta?kin-Tok, Tu?ba; Oruç-Emre, Em?ne Elç?n; Bayram, Hasan

    2015-02-01

    A series of new chiral thiosemicarbazones derived from homochiral amines in both enantiomeric forms were synthesized and evaluated for their in vitro antiproliferative activity against A549 (human alveolar adenocarcinoma), MCF-7 (human breast adenocarcinoma), HeLa (human cervical adenocarcinoma), and HGC-27 (human stomach carcinoma) cell lines. Some of compounds showed inhibitory activities on the growth of cancer cell lines. Especially, compound exhibited the most potent activity (IC50 4.6??M) against HGC-27 as compared with the reference compound, sindaxel (IC50 10.3??M), and could be used as a lead compound to search new chiral thiosemicarbazone derivatives as antiproliferative agents. PMID:25399965

  5. Iron(III) complexes of some thiosemicarbazones derived from 2-acetylpyridine, its 6-methyl derivative and its N -oxide

    Microsoft Academic Search

    Douglas X. West; Patricia M. Ahrweiler; Gözen Ertem; John P. Scovill; Daniel L. Klayman; Judith L. Flippen-Anderson; Richard Gilardi; Clifford George; Lewis K. Pannell

    1985-01-01

    A series of iron(III) complexes of thiosemicarbazones derived from 2-acetylpyridine, 6-methyl-2-acetylpyridine and 2-acetylpyridineN-oxide have been prepared from Fe(ClO4)3 and FeCl3. All of the isolated solids have cations involving two monobasic tridentate ligands, and either perchlorate or tetrachloroferrate(III) anions and are 1:1 electrolytes. Coordinationvia the pyridine nitrogen (or theN-oxide oxygen), the imine nitrogen and the sulphur atom are confirmed by infrared

  6. Synthesis of isatin thiosemicarbazones derivatives: In vitro anti-cancer, DNA binding and cleavage activities

    NASA Astrophysics Data System (ADS)

    Ali, Amna Qasem; Teoh, Siang Guan; Salhin, Abdussalam; Eltayeb, Naser Eltaher; Khadeer Ahamed, Mohamed B.; Majid, A. M. S. Abdul

    New derivatives of thiosemicarbazone Schiff base with isatin moiety were synthesized L1-L6. The structures of these compounds were characterized based on the spectroscopic techniques. Compound L6 was further characterized by XRD single crystal. The interaction of these compounds with calf thymus (CT-DNA) exhibited high intrinsic binding constant (kb = 5.03-33.00 × 105 M-1) for L1-L3 and L5 and (6.14-9.47 × 104 M-1) for L4 and L6 which reflect intercalative activity of these compounds toward CT-DNA. This result was also confirmed by the viscosity data. The electrophoresis studies reveal the higher cleavage activity of L1-L3 than L4-L6. The in vitro anti-proliferative activity of these compounds against human colon cancer cell line (HCT 116) revealed that the synthesized compounds (L3, L6 and L2) exhibited good anticancer potency.

  7. Synthesis of thiosemicarbazones derived from N-(4-hippuric acid)thiosemicarbazide and different carbonyl compounds as antimicrobial agents.

    PubMed

    El-Sharief, Marwa A M Sh; Abbas, Samir Y; El-Bayouki, Khairy A M; El-Gammal, Eman W

    2013-09-01

    New series of thiosemicarbazone derivatives incorporating a hippuric acid moiety have been synthesized through the reaction of N-(4-hippuric acid)thiosemicarbazide with various carbonyl compounds such as aldehydes, ketones and cyclic ketones. The synthesized compounds were tested against bacterial and fungal strains. Most of compounds, such as 2-(4-(2-(4-fluorobenzylidene)hydrazinecarbothioamido)benzamido)acetic acid showed significant antibacterial and antifungal activities. These compounds comprise a new class of promising broad-spectrum antibacterial and antifungal agents. PMID:23871906

  8. In vitro evaluation of the activity of thiosemicarbazone derivatives against mycotoxigenic fungi affecting cereals.

    PubMed

    Degola, Francesca; Morcia, Caterina; Bisceglie, Franco; Mussi, Francesca; Tumino, Giorgio; Ghizzoni, Roberta; Pelosi, Giorgio; Terzi, Valeria; Buschini, Annamaria; Restivo, Francesco Maria; Lodi, Tiziana

    2015-05-01

    With a steadily increasing world population, a more efficient system of food production is of paramount importance. One of the major causes of food spoilage is the presence of fungal pathogens and the production and accumulation of mycotoxins. In the present work we report a study on the activity of a series of functionalized thiosemicarbazones (namely cuminaldehyde, trans-cinnamaldehyde, quinoline-2-carboxyaldehyde, 5-fluoroisatin thiosemicarbazone and 5-fluoroisatin N(4)-methylthiosemicarbazone), as antifungal and anti-mycotoxin agents, against the two major genera of cereal mycotoxigenic fungi, i.e. Fusarium and Aspergillus. These thiosemicarbazones display different patterns of efficacy on fungal growth and on mycotoxin accumulation depending on the fungal species. Some of the molecules display a greater effect on mycotoxin synthesis than on fungal growth. PMID:25702884

  9. 3-Nitro­benzaldehyde thio­semicarbazone

    PubMed Central

    Wu, De-Hong; Li, Zhu-Feng; Zhang, You-Hong

    2009-01-01

    The mol­ecule of the title compound, C8H8N4O2S, adopts an E configuration about both the C—N bonds. In the crystal structure, adjacent mol­ecules are linked by inter­molecular N—H?S hydrogen-bonding inter­actions, forming chains running parallel to the b axis. PMID:21581620

  10. Structural studies on acetophenone- and benzophenone-derived thiosemicarbazones and their zinc(II) complexes

    NASA Astrophysics Data System (ADS)

    Ferraz, Karina S. O.; Silva, Nayane F.; Da Silva, Jeferson G.; Speziali, Nivaldo L.; Mendes, Isolda C.; Beraldo, Heloisa

    2012-01-01

    In the present work N(3)- meta-chlorophenyl-(HAc3 mCl, 1) and N(3)- meta-fluorphenyl-(HAc3 mF, 2) acetophenone thiosemicarbazone, and N(3)- meta-chlorophenyl-(HBz3 mCl, 3) and N(3)- meta-fluorphenyl-(HBz3 mF, 4) benzophenone thiosemicarbazone were obtained, as well as their zinc(II) complexes [Zn(Ac3 mCl) 2] ( 5), [Zn(Ac3 mF) 2] ( 6), [Zn(Bz3 mCl) 2] ( 7) and [Zn(Bz3 mF) 2] ( 8). Upon re-crystallization in DMSO:acetone conversion of 8 into [Zn(Bz3 mF) 2]·(DMSO) ( 8a) occurred. The crystal structures of 2, 5 and 8a were determined.

  11. Crystal Structure and Conformation Study of 3Methyl2, 6-bis (4-chlorophenyl) Piperidin-4-one Thiosemicarbazone Derivative

    Microsoft Academic Search

    N. Sampath; Rita Mathews; M. N. Ponnuswamy

    2010-01-01

    \\u000a Abstract  Thiosemicarbazones (TSCs) are very versatile tridentate ligands having the ability to bind transition metal ions by bonding\\u000a through sulfur and hydrazinic terminal nitrogen atoms. TSC also inhibits the enzyme ribonucliotide diphosphate reductase (RDR)\\u000a which is involved in the synthesis of DNA precursors in the mammalian cells. One of the important heterocyclic thiosemicarbazones,\\u000a the title compound (MBCPT) has been synthesized based

  12. Thiosemicarbazone p-Substituted Acetophenone Derivatives Promote the Loss of Mitochondrial ??, GSH Depletion, and Death in K562 Cells

    PubMed Central

    Pessoto, Felipe S.; Yokomizo, Cesar H.; Prieto, Tatiana; Fernandes, Cleverton S.; Silva, Alan P.; Kaiser, Carlos R.; Basso, Ernani A.; Nantes, Iseli L.

    2015-01-01

    A series of thiosemicarbazone (TSC) p-substituted acetophenone derivatives were synthesized and chemically characterized. The p-substituents appended to the phenyl group of the TSC structures were hydrogen, fluor, chlorine, methyl, and nitro, producing compounds named TSC-H, TSC-F, TSC-Cl, TSC-Me, and TSC-NO2, respectively. The TSC compounds were evaluated for their capacity to induce mitochondrial permeability, to deplete mitochondrial thiol content, and to promote cell death in the K562 cell lineage using flow cytometry and fluorescence microscopy. TSC-H, TSC-F, and TSC-Cl exhibited a bell-shaped dose-response curve for the induction of apoptosis in K562 cells due to the change from apoptosis to necrosis as the principal mechanism of cell death at the highest tested doses. TSC-Me and TSC-NO2 exhibited a typical dose-response profile, with a half maximal effective concentration of approximately 10?µM for cell death. Cell death was also evaluated using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay, which revealed lower toxicity of these compounds for peripheral blood mononuclear cells than for K562 cells. The possible mechanisms leading to cell death are discussed based on the observed effects of the new TSC compounds on the cellular thiol content and on mitochondrial bioenergetics.

  13. Synthesis, DNA Binding, and Antiproliferative Activity of Novel Acridine-Thiosemicarbazone Derivatives.

    PubMed

    de Almeida, Sinara Mônica Vitalino; Lafayette, Elizabeth Almeida; da Silva, Lúcia Patrícia Bezerra Gomes; Amorim, Cézar Augusto da Cruz; de Oliveira, Tiago Bento; Ruiz, Ana Lucia Tasca Gois; de Carvalho, João Ernesto; de Moura, Ricardo Olímpio; Beltrão, Eduardo Isidoro Carneiro; de Lima, Maria do Carmo Alves; Júnior, Luiz Bezerra de Carvalho

    2015-01-01

    In this work, the acridine nucleus was used as a lead-compound for structural modification by adding different substituted thiosemicarbazide moieties. Eight new (Z)-2-(acridin-9-ylmethylene)-N-phenylhydrazinecarbothioamide derivatives (3a-h) were synthesized, their antiproliferative activities were evaluated, and DNA binding properties were performed with calf thymus DNA (ctDNA) by electronic absorption and fluorescence spectroscopies. Both hyperchromic and hypochromic effects, as well as red or blue shifts were demonstrated by addition of ctDNA to the derivatives. The calculated binding constants ranged from 1.74 × 104 to 1.0 × 106 M-1 and quenching constants from -0.2 × 104 to 2.18 × 104 M-1 indicating high affinity to ctDNA base pairs. The most efficient compound in binding to ctDNA in vitro was (Z)-2-(acridin-9-ylmethylene)-N- (4-chlorophenyl) hydrazinecarbothioamide (3f), while the most active compound in antiproliferative assay was (Z)-2-(acridin-9-ylmethylene)-N-phenylhydrazinecarbothioamide (3a). There was no correlation between DNA-binding and in vitro antiproliferative activity, but the results suggest that DNA binding can be involved in the biological activity mechanism. This study may guide the choice of the size and shape of the intercalating part of the ligand and the strategic selection of substituents that increase DNA-binding or antiproliferative properties. PMID:26068233

  14. Synthesis, DNA Binding, and Antiproliferative Activity of Novel Acridine-Thiosemicarbazone Derivatives

    PubMed Central

    de Almeida, Sinara Mônica Vitalino; Lafayette, Elizabeth Almeida; Gomes da Silva, Lúcia Patrícia Bezerra; Amorim, Cézar Augusto da Cruz; de Oliveira, Tiago Bento; Gois Ruiz, Ana Lucia Tasca; de Carvalho, João Ernesto; de Moura, Ricardo Olímpio; Beltrão, Eduardo Isidoro Carneiro; de Lima, Maria do Carmo Alves; de Carvalho Júnior, Luiz Bezerra

    2015-01-01

    In this work, the acridine nucleus was used as a lead-compound for structural modification by adding different substituted thiosemicarbazide moieties. Eight new (Z)-2-(acridin-9-ylmethylene)-N-phenylhydrazinecarbothioamide derivatives (3a–h) were synthesized, their antiproliferative activities were evaluated, and DNA binding properties were performed with calf thymus DNA (ctDNA) by electronic absorption and fluorescence spectroscopies. Both hyperchromic and hypochromic effects, as well as red or blue shifts were demonstrated by addition of ctDNA to the derivatives. The calculated binding constants ranged from 1.74 × 104 to 1.0 × 106 M?1 and quenching constants from ?0.2 × 104 to 2.18 × 104 M?1 indicating high affinity to ctDNA base pairs. The most efficient compound in binding to ctDNA in vitro was (Z)-2-(acridin-9-ylmethylene)-N-(4-chlorophenyl) hydrazinecarbothioamide (3f), while the most active compound in antiproliferative assay was (Z)-2-(acridin-9-ylmethylene)-N-phenylhydrazinecarbothioamide (3a). There was no correlation between DNA-binding and in vitro antiproliferative activity, but the results suggest that DNA binding can be involved in the biological activity mechanism. This study may guide the choice of the size and shape of the intercalating part of the ligand and the strategic selection of substituents that increase DNA-binding or antiproliferative properties. PMID:26068233

  15. 4-Cyano­benzaldehyde thio­semi­carbazone

    PubMed Central

    Wu, De-Hong; Zhang, You-Hong; Li, Zhu-Feng; Li, Yong-Hua

    2009-01-01

    The mol­ecule of the title compound, C9H8N4S, adopts an E configuration about both the C=N and C—NH bonds. In the crystal structure, adjacent mol­ecules are linked by inter­molecular N—H?S hydrogen-bonding inter­actions, forming chains running parallel to the b axis. PMID:21581570

  16. Zinc(II) complexes derived from pyridine-2-carbaldehyde thiosemicarbazone and (1 E)-1-pyridin-2-ylethan-1-one thiosemicarbazone. Synthesis, crystal structures and antiproliferative activity of zinc(II) complexes

    Microsoft Academic Search

    Dimitra Kovala-Demertzi; Paras Nath Yadav; Joanna Wiecek; Stauroula Skoulika; Tatiana Varadinova; Mavroudis A. Demertzis

    2006-01-01

    The complexes [ZnCl2(HFoTsc)·H2O], [Zn(FoTsc)2], [ZnCl2(HAcTsc)·H2O] and [Zn(AcTsc)2], where HFoTsc and HAcTsc is pyridine-2-carbaldehyde thiosemicarbazone and (1E)-1-pyridin-2-ylethan-1-one thiosemicarbazone respectively, have been prepared and structurally characterized by means vibrational, and NMR (1H and 13C) spectroscopy. The crystal structures of the complexes [ZnCl2(HFoTsc)·H2O], [Zn(AcTsc)2] and [ZnCl2(HAcTsc)·H2O] have been determined by X-ray crystallography. The metal co-ordination geometry of [ZnCl2(HFoTsc)·H2O] and [ZnCl2(HAcTsc)·H2O] is described as

  17. 2,4-dihydroxy benzaldehyde derived Schiff bases as small molecule Hsp90 inhibitors: rational identification of a new anticancer lead.

    PubMed

    Dutta Gupta, Sayan; Revathi, B; Mazaira, Gisela I; Galigniana, Mario D; Subrahmanyam, C V S; Gowrishankar, N L; Raghavendra, N M

    2015-04-01

    Hsp90 is a molecular chaperone that heals diverse array of biomolecules ranging from multiple oncogenic proteins to the ones responsible for development of resistance to chemotherapeutic agents. Moreover they are over-expressed in cancer cells as a complex with co-chaperones and under-expressed in normal cells as a single free entity. Hence inhibitors of Hsp90 will be more effective and selective in destroying cancer cells with minimum chances of acquiring resistance to them. In continuation of our goal to rationally develop effective small molecule azomethines against Hsp90, we designed few more compounds belonging to the class of 2,4-dihydroxy benzaldehyde derived imines (1-13) with our validated docking protocol. The molecules exhibiting good docking score were synthesized and their structures were confirmed by IR, (1)H NMR and mass spectral analysis. Subsequently, they were evaluated for their potential to suppress Hsp90 ATPase activity by Malachite green assay. The antiproliferative effect of the molecules were examined on PC3 prostate cancer cell lines by adopting 3-(4,5-dimethythiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay methodology. Finally, schiff base 13 emerged as the lead molecule for future design and development of Hsp90 inhibitors as anticancer agents. PMID:25727264

  18. Benzyl alcohol dehydrogenase and benzaldehyde dehydrogenase II from Acinetobacter calcoaceticus. Substrate specificities and inhibition studies.

    PubMed

    MacKintosh, R W; Fewson, C A

    1988-10-15

    The apparent Km and maximum velocity values of benzyl alcohol dehydrogenase and benzaldehyde dehydrogenase II from Acinetobacter calcoaceticus were determined for a range of alcohols and aldehydes and the corresponding turnover numbers and specificity constants were calculated. Benzyl alcohol was the most effective alcohol substrate for benzyl alcohol dehydrogenase. Perillyl alcohol was the second most effective substrate, and was the only non-aromatic alcohol oxidized. The other substrates of benzyl alcohol dehydrogenase were all aromatic in nature, with para-substituted derivatives of benzyl alcohol being better substrates than other derivatives. Coniferyl alcohol and cinnamyl alcohol were also substrates. Benzaldehyde was much the most effective substrate for benzaldehyde dehydrogenase II. Benzaldehydes with a single small substituent group in the meta or para position were better substrates than any other benzaldehyde derivatives. Benzaldehyde dehydrogenase II could also oxidize the aliphatic aldehydes hexan-1-al and octan-1-al, although poorly. Benzaldehyde dehydrogenase II was substrate-inhibited by benzaldehyde when the assay concentration exceeded approx. 10 microM. Benzaldehyde dehydrogenase II, but not benzyl alcohol dehydrogenase, exhibited esterase activity with 4-nitrophenyl acetate as substrate. Both benzyl alcohol dehydrogenase and benzaldehyde dehydrogenase II were inhibited by the thiol-blocking reagents iodoacetate, iodoacetamide, 4-chloromercuribenzoate and N-ethylmaleimide. Benzyl alcohol or benzaldehyde respectively protected against these inhibitions. NAD+ also gave some protection. Neither benzyl alcohol dehydrogenase nor benzaldehyde dehydrogenase II was inhibited by the metal-ion-chelating agents EDTA, 2,2'-bipyridyl, pyrazole or 2-phenanthroline. Neither enzyme was inhibited by a range of plausible metabolic inhibitors such as mandelate, phenylglyoxylate, benzoate, succinate, acetyl-CoA, ATP or ADP. Benzaldehyde dehydrogenase II was sensitive to inhibition by several aromatic aldehydes; in particular, ortho-substituted benzaldehydes such as 2-bromo-, 2-chloro- and 2-fluoro-benzaldehydes were potent inhibitors of the enzyme. PMID:3060114

  19. Benzaldehyde-functionalized Polymer Vesicles

    PubMed Central

    Sun, Guorong; Fang, Huafeng; Cheng, Chong; Lu, Peng; Zhang, Ke; Walker, Amy V.; Taylor, John-Stephen A.; Wooley, Karen L.

    2009-01-01

    Polymer vesicles with diameters of ca. 100-600 nm and bearing benzaldehyde functionalities within the vesicular walls were constructed through self assembly of an amphiphilic block copolymer PEO45-b-PVBA26 in water. The reactivity of the benzaldehyde functionalities was verified by crosslinking the polymersomes, and also by a one-pot crosslinking and functionalization approach to further render the vesicles fluorescent, each via reductive amination. In vitro studies found these labelled nanostructures to undergo cell association. PMID:19309173

  20. Synthesis, spectral characterization and biological evaluation of copper(II) and nickel(II) complexes with thiosemicarbazones derived from a bidentate Schiff base

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Bargujar, Savita; Nirwal, Rita; Yadav, Neesha

    2013-04-01

    Complexes of copper(II) and nickel(II) of general composition M(L)2X2, have been synthesized with the ligand 1-Tetralone thiosemicarbazone (where L = 1-Tetralone thiosemicarbazone and X=Cl,1/2SO42-). The molar conductance of the complexes in fresh solution of DMSO lies in the range of 10-20 ?-1 cm2 mol-1 indicating their non-electrolytic behavior. Thus, the complexes may be formulated as [M(L2)X2]. Ligand was characterized by mass, NMR, IR and single crystallographic studies. All the complexes were characterized by elemental analyses, magnetic moments, IR, electronic and EPR spectral studies. The IR spectral data of ligand indicated the involvement of sulfur and azomethine nitrogen in coordination to the central metal ion. The copper(II) and nickel(II) complexes were found to have magnetic moments1.93-1.96 BM and 2.91-2.94 BM corresponding to one and two unpaired electrons respectively. On the basis of molar conductance, EPR, electronic and infrared spectral studies, a tetragonal geometry has been assigned for Cu(II) chloride complex and trigonal bipyramidal to Cu(II) sulfate complex but an octahedral geometry for Ni(II) complexes. Newly synthesized ligand and its Cu(II) and Ni(II) complexes have also been screened against different bacterial and fungal species.

  1. Hydrogen peroxide oxidation of benzylic alcohols to benzaldehydes and benzoic acids under halide-free conditions

    Microsoft Academic Search

    Kazuhiko Sato; Junko Takagi; Masao Aoki; Ryoji Noyori

    1998-01-01

    A series of benzaldehyde and benzoic acid derivatives can be obtained from benzylic alcohols by tungsten-catalyzed oxidation with aqueous hydrogen peroxide under halide-free, aqueous\\/organic biphasic conditions.

  2. Stability of the resistance to the thiosemicarbazone derived from 5,6-dimethoxy-1-indanone, a non-nucleoside polymerase inhibitor of bovine viral diarrhea virus.

    PubMed

    Castro, Eliana F; Campos, Rodolfo H; Cavallaro, Lucía V

    2014-01-01

    Bovine viral diarrhea virus (BVDV) is the prototype Pestivirus. BVDV infection is distributed worldwide and causes serious problems for the livestock industry. The thiosemicarbazone of 5,6-dimethoxy-1-indanone (TSC) is a non-nucleoside polymerase inhibitor (NNI) of BVDV. All TSC-resistant BVDV variants (BVDV-TSCr T1-5) present an N264D mutation in the NS5B gene (RdRp) whereas the variant BVDV-TSCr T1 also presents an NS5B A392E mutation. In the present study, we carried out twenty passages of BVDV-TSCr T1-5 in MDBK cells in the absence of TSC to evaluate the stability of the resistance. The viral populations obtained (BVDV R1-5) remained resistant to the antiviral compound and conserved the mutations in NS5B associated with this phenotype. Along the passages, BVDV R2, R3 and R5 presented a delay in the production of cytopathic effect that correlated with a decrease in cell apoptosis and intracellular accumulation of viral RNA. The complete genome sequences that encode for NS2 to NS5B, Npro and Erns were analyzed. Additional mutations were detected in the NS5B of BVDV R1, R3 and R4. In both BVDV R2 and R3, most of the mutations found were localized in NS5A, whereas in BVDV R5, the only mutation fixed was NS5A V177A. These results suggest that mutations in NS5A could alter BVDV cytopathogenicity. In conclusion, the stability of the resistance to TSC may be due to the fixation of different compensatory mutations in each BVDV-TSCr. During their replication in a TSC-free medium, some virus populations presented a kind of interaction with the host cell that resembled a persistent infection: decreased cytopathogenicity and viral genome synthesis. This is the first report on the stability of antiviral resistance and on the evolution of NNI-resistant BVDV variants. The results obtained for BVDV-TSCr could also be applied for other NNIs. PMID:24950191

  3. Stability of the Resistance to the Thiosemicarbazone Derived from 5,6-Dimethoxy-1-Indanone, a Non-Nucleoside Polymerase Inhibitor of Bovine Viral Diarrhea Virus

    PubMed Central

    Castro, Eliana F.; Campos, Rodolfo H.; Cavallaro, Lucía V.

    2014-01-01

    Bovine viral diarrhea virus (BVDV) is the prototype Pestivirus. BVDV infection is distributed worldwide and causes serious problems for the livestock industry. The thiosemicarbazone of 5,6-dimethoxy-1-indanone (TSC) is a non-nucleoside polymerase inhibitor (NNI) of BVDV. All TSC-resistant BVDV variants (BVDV-TSCr T1–5) present an N264D mutation in the NS5B gene (RdRp) whereas the variant BVDV-TSCr T1 also presents an NS5B A392E mutation. In the present study, we carried out twenty passages of BVDV-TSCr T1–5 in MDBK cells in the absence of TSC to evaluate the stability of the resistance. The viral populations obtained (BVDV R1–5) remained resistant to the antiviral compound and conserved the mutations in NS5B associated with this phenotype. Along the passages, BVDV R2, R3 and R5 presented a delay in the production of cytopathic effect that correlated with a decrease in cell apoptosis and intracellular accumulation of viral RNA. The complete genome sequences that encode for NS2 to NS5B, Npro and Erns were analyzed. Additional mutations were detected in the NS5B of BVDV R1, R3 and R4. In both BVDV R2 and R3, most of the mutations found were localized in NS5A, whereas in BVDV R5, the only mutation fixed was NS5A V177A. These results suggest that mutations in NS5A could alter BVDV cytopathogenicity. In conclusion, the stability of the resistance to TSC may be due to the fixation of different compensatory mutations in each BVDV-TSCr. During their replication in a TSC-free medium, some virus populations presented a kind of interaction with the host cell that resembled a persistent infection: decreased cytopathogenicity and viral genome synthesis. This is the first report on the stability of antiviral resistance and on the evolution of NNI-resistant BVDV variants. The results obtained for BVDV-TSCr could also be applied for other NNIs. PMID:24950191

  4. Synthesis and spectral characterization of mono- and binuclear copper(II) complexes derived from 2-benzoylpyridine-N?-methyl-3-thiosemicarbazone: crystal structure of a novel sulfur bridged copper(II) box-dimer.

    PubMed

    Jayakumar, K; Sithambaresan, M; Aiswarya, N; Kurup, M R Prathapachandra

    2015-03-15

    Mononuclear and binuclear copper(II) complexes of 2-benzoylpyridine-N(4)-methyl thiosemicarbazone (HL) were prepared and characterized by a variety of spectroscopic techniques. Structural evidence for the novel sulfur bridged copper(II) iodo binuclear complex is obtained by single crystal X-ray diffraction analysis. The complex [Cu2L2I2], a non-centrosymmetric box dimer, crystallizes in monoclinic C2/c space group and it was found to have distorted square pyramidal geometry (Addison parameter, ?=0.238) with the square basal plane occupied by the thiosemicarbazone moiety and iodine atom whereas the sulfur atom from the other coordinated thiosemicarbazone moiety occupies the apical position. This is the first crystallographically studied system having non-centrosymmetrical entities bridged via thiolate S atoms with Cu(II)I bond. The tridentate thiosemicarbazone coordinates in mono deprotonated thionic tautomeric form in all complexes except in sulfato complex, [Cu(HL)(SO4)]·H2O (1) where it binds to the metal centre in neutral form. The magnetic moment values and the EPR spectral studies reflect the binuclearity of some of the complexes. The spin Hamiltonian and bonding parameters are calculated based on EPR studies. In all the complexes g||>g?>2.0023 and the g values in frozen DMF are consistent with the d(x2-y2) ground state. The thermal stabilities of some of the complexes were also determined. PMID:25546494

  5. 5-Hy­droxy-2-nitro­benzaldehyde thio­semicarbazone (HNBATSC)

    PubMed Central

    Reddy, M. Sivasankar; Sarala, Y.; Jagadeesh, M.; Das, Samar K.; Ammireddy, Varada Reddy

    2014-01-01

    The asymmetric unit of the title compound, C8H8N4O3S, consists of two independent mol­ecules. Each mol­ecule is approximately planar with dihedral angles of 8.71?(3) and 1.50?(2)° between the aromatic ring and the thio­semicarbazide moiety while the NO2 group makes dihedral angles of 29.27?(3) and 17.78?(3)° with the benzene ring. In the crystal, the molecules are linked by N—H?S, O—H?O and N—H?O hydrogen bonds, forming two-dimensional networks parallel to (100). PMID:25249898

  6. Rate and Equilibrium Constants for the Addition of N-Heterocyclic Carbenes into Benzaldehydes: A Remarkable 2-Substituent Effect**

    PubMed Central

    Collett, Christopher J; Massey, Richard S; Taylor, James E; Maguire, Oliver R; O'Donoghue, AnnMarie C; Smith, Andrew D

    2015-01-01

    Rate and equilibrium constants for the reaction between N-aryl triazolium N-heterocyclic carbene (NHC) precatalysts and substituted benzaldehyde derivatives to form 3-(hydroxybenzyl)azolium adducts under both catalytic and stoichiometric conditions have been measured. Kinetic analysis and reaction profile fitting of both the forward and reverse reactions, plus onwards reaction to the Breslow intermediate, demonstrate the remarkable effect of the benzaldehyde 2-substituent in these reactions and provide insight into the chemoselectivity of cross-benzoin reactions. PMID:25908493

  7. Oxidation of Benzaldehyde to Benzoic Acid

    Microsoft Academic Search

    Hongyan Yan; Chunsheng Liu; Genxiang Luo

    2005-01-01

    Benzaldehyde was oxidized to benzoic acid using Na2WO4·2H2O as a catalyst. Different factors, such as different acidic additives, the reaction time, the amount of catalyst, and hydrogen peroxide dosage, on the isolated yield of benzoic acid were investigated. The effects of surfactants on yield of benzoic acid were also discussed in the acid-free system. The results indicated that both acidic

  8. Benzaldehyde suppresses murine allergic asthma and rhinitis.

    PubMed

    Jang, Tae Young; Park, Chang-Shin; Kim, Kyu-Sung; Heo, Min-Jeong; Kim, Young Hyo

    2014-10-01

    To evaluate the antiallergic effects of oral benzaldehyde in a murine model of allergic asthma and rhinitis, we divided 20 female BALB/c mice aged 8-10 weeks into nonallergic (intraperitoneally sensitized and intranasally challenged to normal saline), allergic (intraperitoneally sensitized and intranasally challenged to ovalbumin), and 200- and 400-mg/kg benzaldehyde (allergic but treated) groups. The number of nose-scratching events in 10 min, levels of total and ovalbumin-specific IgE in serum, differential counts of inflammatory cells in bronchoalveolar lavage (BAL) fluid, titers of Th2 cytokines (IL-4, IL-5, IL-13) in BAL fluid, histopathologic findings of lung and nasal tissues, and expressions of proteins involved in apoptosis (Bcl-2, Bax, caspase-3), inflammation (COX-2), antioxidation (extracellular SOD, HO-1), and hypoxia (HIF-1?, VEGF) in lung tissue were evaluated. The treated mice had significantly fewer nose-scratching events, less inflammatory cell infiltration in lung and nasal tissues, and lower HIF-1? and VEGF expressions in lung tissue than the allergic group. The number of eosinophils and neutrophils and Th2 cytokine titers in BAL fluid significantly decreased after the treatment (P<0.05). These results imply that oral benzaldehyde exerts antiallergic effects in murine allergic asthma and rhinitis, possibly through inhibition of HIF-1? and VEGF. PMID:25107441

  9. Synthesis and antihyperglycemic activity of 2-(substituted phenyl)-3-{[4-(1-naphthyl)-1,3-thiazol-2-yl] amino}-4-oxo-1,3-thiazolidin-5-ylacetic acid derivatives.

    PubMed

    Imran, Mohammad; Yar, Mohammad Shahar; Khan, Suroor Ahmad

    2009-01-01

    The title compounds were prepared by brominating 1-acetylnaphthalene in chloroform followed by condensation with substituted benzaldehyde thiosemicarbazones using ethanol to get 4-naphthalen-1-yl-2-{2-[(substituted phenyl)methylidene]hydrazino}-1,3-thiazoles. These thiazole derivatives were then cyclized to title compounds by reacting with thiomalic acid in dioxane using ZnCl2. All the synthesized compounds were characterized on the basis of their IR, 1H NMR, and elemental analysis. The antihyperglycemic study was divided into two phases. Phase-I involved evaluation of blood glucose lowering ability of thiazolidinones in normal rats by sucrose-loaded model (SLM). Phase-II study included the evaluation of blood sugar by alloxan model. PMID:19226969

  10. Investigation of vibrational theory of olfaction with variously labelled benzaldehydes

    E-print Network

    MacKay, David J.C.

    Investigation of vibrational theory of olfaction with variously labelled benzaldehydes L; received in revised form 15 June 2000; accepted 25 September 2000 Abstract Vibrational theory of olfaction-labelled benzaldehyde; Bitter almond aroma; Vibrational theory of olfaction; Infrared and sensory analysis 1

  11. A FACILE SYNTHESIS OF THIOSEMICARBAZIDESAND THIOSEMICARBAZONES BY THETRANSAMINATION OF 4METHYL4PHENYL3THIOSEMICARBAZIDE

    Microsoft Academic Search

    John P. Scovill

    1991-01-01

    Thiosemicarbazones of ?-(N)-heterocyclic ketones and aldehydes possess a broad spectrum of potentially useful chemotherapeutic activities. Thus, the antimalarial, antibacterial, and antiviral properties of this class have been explored by Klayman, et al. The antileishmanial activity of a series of acetyl ?-carboline thiosemicarbazones was recently described by Dodd and coworkers The ?-(N)-heterocyclic thiosemicarbazones act as tridentate ligands for transition metals; this

  12. Biological activity and mechanism of action of 3-thiosemicarbazones of 1-glycosylisatins

    Microsoft Academic Search

    G. I. Potapova; N. O. Gudratov; R. P. Alekhina; L. V. Éktova; M. N. Preobrazhenskaya

    1984-01-01

    In this work we studied the biological activity of 3-thiosemicarbazones of l-glycosylisatins, their influence on DNA synthesis in vivo and in vitro, the macromolecular structure of DNA, and DNA--protein interactions in cell nuclei. The TSC of unsubstituted l-glycosylisatins -- l-B-D-glucopyranoside (I), l-B-D-xylopyranoside (III), per-O-acetylated l~-L-arabinopyranoside (IV), l-8-D-ribofuranoside (X) and its O-acetylated derivative (XI), as well as l-glycosylisatin s with substituents

  13. Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(III) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives.

    PubMed

    Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish

    2014-03-21

    In this study we have developed an efficient synthesis of 1,2-dihydroquinoline and dihydrobenzo[b]azepine derivatives involving the iron(III) chloride intramolecular alkyne-carbonyl metathesis reaction for the first time. Various functionalized 1,2-dihydroquinolines and dihydrobenzo[b]azepines were prepared from easily accessible substrates in the presence of environmentally friendly and inexpensive iron(III) chloride (10 mol%) under mild conditions. The method is applicable to a wide range of substrates containing different functional groups and furnishing products in good to excellent yields. This methodology was further extended to the one-pot synthesis of 3-acyl quinolines via alkyne-carbonyl metathesis/detosylation/aromatization of N-propargyl-2-aminobenzaldehyde/acetophenone derivatives by the addition of NaOH/EtOH. While many Lewis acid and Brønsted acid catalysts were investigated, anhydrous iron(III) chloride turned out to be the best catalyst for this transformation. PMID:24500306

  14. Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.

    PubMed

    Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice

    2015-07-28

    The nickel(ii) complexes of three unsymmetrical thiosemicarbazone-based ligands featuring a sterically hindered salicylidene (1), aminophenol (2) or thiophenol (3) moiety were synthesized and structurally characterized. The metal ion lies in an almost square planar geometry in all the complexes. The cyclic voltammetry (CV) curve of 1 shows an irreversible oxidation wave at E = 0.49 V, which is assigned to the phenoxyl/phenolate redox couple. The CV curves of 2 and 3 display a reversible one-electron oxidation wave (E1/2 = 0.26 and 0.22 V vs. Fc(+)/Fc, respectively) and an one-electron reduction wave (E1/2 = -1.55 and -1.46 V, respectively). The cations 2(+) and 3(+) as well as the anions 2(-) and 3(-) were generated. The EPR spectra of the cations in THF show a rhombic signal at g1 = 2.034, g2 = 2.010 and g3 = 1.992 (2(+)) and g1 = 2.069, g2 = 2.018, g3 = 1.986 (3(+)) that is consistent with a main radical character of the complexes. The difference in anisotropy is assigned to the different nature of the radical, iminosemiquinonate vs. iminothiosemiquinonate. The anions display an isotropic EPR signal at giso = 2.003 (2(+)) and 2.006 (3(+)), which is indicative of a main ?-diimine radical character of the compounds. Both the anions and cations exhibit charge transfer transitions of low to moderate intensity in their visible spectrum. Quantum chemical calculations (B3LYP) reproduce both the g-values and Vis-NIR spectra of the complexes. The radical anions readily react with dioxygen to give the radical cations. 2(+) catalyzes the aerobic oxidation of benzyl alcohol into benzaldehyde. PMID:26086684

  15. Vanadium Complexes with Hydrazone or Thiosemicarbazone Ligands as Potential Anti-Mycobacterium tuberculosis Agents.

    PubMed

    de Souza, Paula C; Maia, Pedro I S; de Barros, Heloisa B; Leite, Clarice Q F; Deflon, Victor M; Pavan, Fernando R

    2015-01-01

    Tuberculosis (TB) is an infectious disease caused mainly by Mycobacterium tuberculosis (MTB) and still an important public health problem worldwide. Some factors like the emergence of multidrug resistant (MDR) and extensively drug-resistant (XDR) strains make urgent the research of new active compounds. Searching for new inorganic compounds against TB, three new dioxovanadium(V) complexes were obtained upon reaction of [VO(acac)2] with hydrazone and thiosemicarbazone ligands derived from di-2-pyridyl ketone. Spectroscopic studies and X-ray crystallography revealed asymmetrically oxo bridged binuclear complexes of the type [{VO(L(1,2))}2(?-O)2], involving the hydrazone ligands, while a mononuclear square pyramidal complex of the type [VO2(L(3))] was formed with the thiosemicarbazone ligand. The compounds were tested against M. tuberculosis and three of them, with MICs values between 2.00 and 3.76 ?M were considered promising for TB treatment. Such MIC values are comparable or better than those found for some drugs currently used in TB treatment. PMID:24433444

  16. Effect of thiosemicarbazones on corrosion of steel in phosphoric acid produced by wet process

    SciTech Connect

    Khamis, E.; Ameer, M.A.; AlAndis, N.M.; Al-Senani, G.

    2000-02-01

    Corrosion inhibition of steel in phosphoric acid (H{sub 3}PO{sub 4}) by thiosemicarbazide derivatives was studied using different chemical and electrochemical techniques. Protection efficiency up to 99% was obtained with small amounts (10{sup {minus}4} M) of cinnamaldehyde thiosemicarbazone (CTSCN). The order of increasing inhibition efficiency was correlated with the modification of the molecular structure of the inhibitors. Empirical kinetic relationship was obtained describing the experimental data obtained from the different compounds used in this investigation. Potentiodynamic polarization curves indicated that the compounds acted primarily as mixed-type inhibitors. Electrochemical impedance spectroscopy showed that the charge-transfer resistance increased and the capacitance of the double layer decreased with increasing the concentration of the inhibitor in the medium, confirming adsorption process mechanism. At high concentrations (>10{sup 4} M), the capacitance of the double layer leveled off since maximum double-layer thickness was attained. Kinetic-thermodynamic model and Flory-Huggins adsorption isotherm described the experimental findings. Number of active sites, binding constant, and change of free energy were computed for all inhibitors studied. Based on the inhibitor, it was found that each organic molecule replaced one or more adsorbed water molecule from the steel surface. The influence of exposure time on the performance of crotonaldehyde thiosemicarbazone (CrTSCN) was studied. Results showed that the inhibitor performed better with time and at a critical concentration of 5 x 10{sup {minus}4} M.

  17. Structure of the ThDP-dependent enzyme benzaldehyde lyase refined to 1.65?Å resolution

    PubMed Central

    Maraite, Andy; Schmidt, Thomas; Ansörge-Schumacher, Marion B.; Brzozowski, A. Marek; Grogan, Gideon

    2007-01-01

    Benzaldehyde lyase (BAL; EC 4.1.2.38) is a thiamine diphosphate (ThDP) dependent enzyme that catalyses the enantioselective carboligation of two molecules of benzaldehyde to form (R)-benzoin. BAL has hence aroused interest for its potential in the industrial synthesis of optically active benzoins and derivatives. The structure of BAL was previously solved to a resolution of 2.6?Å using MAD experiments on a selenomethionine derivative [Mosbacher et al. (2005 ?), FEBS J. 272, 6067–6076]. In this communication of parallel studies, BAL was crystallized in an alternative space group (P212121) and its structure refined to a resolution of 1.65?Å, allowing detailed observation of the water structure, active-site interactions with ThDP and also the electron density for the co-solvent 2-methyl-2,4-pentanediol (MPD) at hydrophobic patches of the enzyme surface. PMID:17620706

  18. Structural and spectral studies of copper(II) and nickel(II) complexes of pyruvaldehyde mixed bis{N(4)-substituted thiosemicarbazones}

    Microsoft Academic Search

    Lily J. Ackerman; Phillip E. Fanwick; Mark A. Green; Elizabeth John; William E. Running; John K. Swearingen; James W. Webb; Douglas X. West

    1999-01-01

    Pyruvaldehyde mixed bis(thiosemicarbazones) have been prepared in which the two thiosemicarbazone moieties have different N(4)-substituents. The mixed bis(thiosemicarbazones) and their copper(II) and nickel(II) complexes have been characterized with IR, electronic, mass, 1H NMR (Ni) and EPR (Cu) spectra. Representative crystal structures have been solved of nickel(II) complexes with either a pyruvaldehyde mixed bis(thiosemicarbazone) or a bis(thiosemicarbazone) with identical N(4)-substituents acting

  19. Synthesis and Biochemical Evaluation of Thiochromanone Thiosemicarbazone Analogues as Inhibitors of Cathepsin L

    PubMed Central

    2012-01-01

    A series of 36 thiosemicarbazone analogues containing the thiochromanone molecular scaffold functionalized primarily at the C-6 position were prepared by chemical synthesis and evaluated as inhibitors of cathepsins L and B. The most promising inhibitors from this group are selective for cathepsin L and demonstrate IC50 values in the low nanomolar range. In nearly all cases, the thiochromanone sulfide analogues show superior inhibition of cathepsin L as compared to their corresponding thiochromanone sulfone derivatives. Without exception, the compounds evaluated were inactive (IC50 > 10000 nM) against cathepsin B. The most potent inhibitor (IC50 = 46 nM) of cathepsin L proved to be the 6,7-difluoro analogue 4. This small library of compounds significantly expands the structure–activity relationship known for small molecule, nonpeptidic inhibitors of cathepsin L. PMID:24900494

  20. Vibrational spectroscopic studies and computational study of ethyl methyl ketone thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Anoop, M. R.; Binil, P. S.; Suma, S.; Sudarsanakumar, M. R.; Y, Sheena Mary.; Varghese, Hema Tresa; Panicker, C. Yohannan

    2010-04-01

    FT-IR and FT-Raman spectra of ethyl methyl ketone thiosemicarbazone were recorded and analyzed. The crystal structure is also described. The vibrational wavenumbers were computed using HF/6-31G(d) and B3LYP/6-31G(d) basis sets and are assigned with the aid of MOLEKEL program. The first hyperpolarizability, infrared intensities and Raman activities are also reported. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive molecule for future applications in non-linear optics. The geometrical parameters of the title compound obtained from XRD studies are in agreement with the calculated values. The red shift of the NH stretching wavenumber in the infrared spectrum compared to the computed wavenumber indicates the weakening of the N-H bond resulting in proton transfer to the neighbouring sulfur atom.

  1. Biomass pyrolysis: Thermal decomposition mechanisms of furfural and benzaldehyde

    NASA Astrophysics Data System (ADS)

    Vasiliou, AnGayle K.; Kim, Jong Hyun; Ormond, Thomas K.; Piech, Krzysztof M.; Urness, Kimberly N.; Scheer, Adam M.; Robichaud, David J.; Mukarakate, Calvin; Nimlos, Mark R.; Daily, John W.; Guan, Qi; Carstensen, Hans-Heinrich; Ellison, G. Barney

    2013-09-01

    The thermal decompositions of furfural and benzaldehyde have been studied in a heated microtubular flow reactor. The pyrolysis experiments were carried out by passing a dilute mixture of the aromatic aldehydes (roughly 0.1%-1%) entrained in a stream of buffer gas (either He or Ar) through a pulsed, heated SiC reactor that is 2-3 cm long and 1 mm in diameter. Typical pressures in the reactor are 75-150 Torr with the SiC tube wall temperature in the range of 1200-1800 K. Characteristic residence times in the reactor are 100-200 ?sec after which the gas mixture emerges as a skimmed molecular beam at a pressure of approximately 10 ?Torr. Products were detected using matrix infrared absorption spectroscopy, 118.2 nm (10.487 eV) photoionization mass spectroscopy and resonance enhanced multiphoton ionization. The initial steps in the thermal decomposition of furfural and benzaldehyde have been identified. Furfural undergoes unimolecular decomposition to furan + CO: C4H3O-CHO (+ M) ? CO + C4H4O. Sequential decomposition of furan leads to the production of HC?CH, CH2CO, CH3C?CH, CO, HCCCH2, and H atoms. In contrast, benzaldehyde resists decomposition until higher temperatures when it fragments to phenyl radical plus H atoms and CO: C6H5CHO (+ M) ? C6H5CO + H ? C6H5 + CO + H. The H atoms trigger a chain reaction by attacking C6H5CHO: H + C6H5CHO ? [C6H6CHO]* ? C6H6 + CO + H. The net result is the decomposition of benzaldehyde to produce benzene and CO.

  2. Benzaldehyde Schiff bases regulation to the metabolism, hemolysis, and virulence genes expression in vitro and their structure-microbicidal activity relationship.

    PubMed

    Xia, Lei; Xia, Yu-Fen; Huang, Li-Rong; Xiao, Xiao; Lou, Hua-Yong; Liu, Tang-Jingjun; Pan, Wei-Dong; Luo, Heng

    2015-06-01

    There is an urgent need to develop new antibacterial agents because of multidrug resistance by bacteria and fungi. Schiff bases (aldehyde or ketone-like compounds) exhibit intense antibacterial characteristics, and are therefore, promising candidates as antibacterial agents. To investigate the mechanism of action of newly designed benzaldehyde Schiff bases, a series of high-yielding benzaldehyde Schiff bases were synthesized, and their structures were determined by NMR and MS spectra data. The structure-microbicidal activity relationship of derivatives was investigated, and the antibacterial mechanisms were investigated by gene assays for the expression of functional genes in vitro using Escherichia coli, Staphylococcus aureus, and Bacillus subtilis. The active compounds were selective for certain active groups. The polar substitution of the R2 group of the amino acids in the Schiff bases, affected the antibacterial activity against E. coli and S. aureus; specific active group at the R3 or R4 groups of the acylhydrazone Schiff bases could improve their inhibitory activity against these three tested organisms. The antibacterial mechanism of the active benzaldehyde Schiff bases appeared to regulate the expression of metabolism-associated genes in E. coli, hemolysis-associated genes in B. subtilis, and key virulence genes in S. aureus. Some benzaldehyde Schiff bases were bactericidal to all the three strains and appeared to regulate gene expression associated with metabolism, hemolysis, and virulence, in vitro. The newly designed benzaldehyde Schiff bases possessed unique antibacterial activity and might be potentially useful for prophylactic or therapeutic intervention of bacterial infections. PMID:25982329

  3. Inner-shell spectroscopy of benzaldehyde, terephthalaldehyde, ethyl benzoate, terephthaloyl chloride, and phosgene: Models for core excitation of poly(ethylene terephthalate)

    Microsoft Academic Search

    A. P. Hitchcock; S. G. Urquhart; E. G. Rightor

    1992-01-01

    Oscillator strengths for C 1s and O 1s excitation of terephthalaldehyde, benzaldehyde, and ethyl benzoate and C 1s, O 1s and Cl 2p excitation of terephthaloyl chloride and phosgene have been derived from electron energy loss spectra recorded under scattering conditions where electric dipole transitions dominate. Extended Hueckel molecular orbital (EHMO) calculations were used to aid interpretation of the core

  4. Supramolecular interactions in biologically relevant compounds. 2-Pyrazineformamide thiosemicarbazones and some products of their cyclization

    NASA Astrophysics Data System (ADS)

    Castiñeiras, Alfonso; García-Santos, Isabel; Nogueiras, Silvia; Rodríguez-González, Iria; Rodríguez-Riobó, Raúl

    2014-09-01

    Reaction of 2-cyanopyrazine with thiosemicarbazide or N-methylthiosemicarbazide afforded the (Z)-2-(amino(pyrazin-2-yl)methylene)hydrazinecarbothioamide (HPzAm4DH) and (Z)-2-(amino(pyrazin-2-yl)methylene)-N-methylhydrazine carbothioamide (HPzAm4M), respectively. (2Z,N?E)-N?-(4-Oxothiazolidin-2-ylidene)pyrazine-2-carbohydrazonamide (HPzAmot, 5) and (2Z,N?E)-N?-(3-methyl-4-oxothiazolidin-2-ylidene)pyrazine-2-carbohydrazonamide (MPzAmot, 7) have been synthesized from these thiosemicarbazones with chloroacetic or bromoacetic acids, using a conventional synthetic methodology and microwave-assisted organic reaction enhancement. The crystal structures of the thiosemicarbazones and their solvates [HPzAm4DH?1/2 MeOH (1), HPzAm4DH?H2O (2), HPzAm4M (3), HPzAm4M?2H2O (4)] and the 1,3-thiazolidin-4-ones (5 and 7) have been studied by X-ray diffractometry. All of the compounds were characterized by elemental analysis, mass spectrometry, FT-IR and 1H and 13C NMR spectroscopy. Several by-products have also been isolated in a crystalline form, namely 3-((Z,E)-N?-(4-oxothiazolidin-2-ylidene)carbamohydrazonium-yl)pyrazin-1-ium dibromide monohydrate, (H3PzAmot)Br2?H2O (6), 2-((5-(pyrazin-2-yl)-1H-1,2,4-triazol-3-yl)thio)acetic acid, (H2Pz124ttAc) (8), 2-amino-5-(pyrazin-2-yl)-1,3,4-thiadiazol-3-ium chloride monohydrate, (HPz134tda)Cl?H2O (9), and 2-(methylamino)-5-(pyrazin-2-yl)-1,3,4-thiadiazol-3-ium chloride N-methyl-5-(pyrazin-2-yl)-1,3,4-thiadiazol-2-amine solvate, (HMPz134tda)Cl?(MPz134tda) (10). The structures of these compounds were also analyzed by X-ray diffractometry. The microwave-assisted organic reaction method for synthesis is easy, convenient, and ecofriendly when compared to the traditional synthetic methods. Crystal analysis revealed that the compounds have extended 3D supramolecular networks through high levels of H-bonding and weak molecular interactions between the molecular moieties and solvent molecules. The novel synthons, which are sustained by Nsbnd H⋯N and Nsbnd H⋯O hydrogen bonding and other weak interactions, have been shown to assemble with 1,3-thizolidine-4-ones, 1,2,4-trizole, or 1,3,4-thiadiazole derivatives in a zigzag or herringbone architecture.

  5. Structural study of two N(4)-substituted thiosemicarbazones prepared from 1-phenyl-1,2-propanedione-2-oxime and their

    E-print Network

    Kaminsky, Werner

    Structural study of two N(4)-substituted thiosemicarbazones prepared from 1-phenyl-1,2-propanedione of the oxime/thiosemicarbazones 1-phenyl-1-{N(4)-methyl- and 1-phenyl-1-{N(4)-ethylthiosemicar- bazone}-2 arrangement of the two moieties was found for 1-phenyl-1-(3-piperi- dylthiosemicarbazone)-2-oximepropane, H2

  6. Novel iron carbonyl complexes from thiophene-2-carboxaldehyde thiosemicarbazone

    Microsoft Academic Search

    Wen-Shyan Hong; Chih-Yu Wu; Chen-Shiang Lee; Wen-Shu Hwang; Michael Y Chiang

    2004-01-01

    The reaction of thiophene-2-carboxaldehyde thiosemicarbazone (2-C4H3SCHNNHC(S)NH2) (1) with diiron nonacarbonyl under mild conditions in anhydrous benzene yields three iron carbonyl organometallic clusters: (i) Fe2S2 square-base pyramidal cluster 2 ([Fe(CO)3]3(?3-S)2), (ii) Fe2S2 square-base pyramidal metal carbene cluster 3 ([Fe(CO)3]2Fe(CO)2(?3-S)2(C(NH2)NHNCH (2-C4H3S)), and (iii) double butterfly cluster 4 ([Fe(CO)3]3Fe(CO)2(?4-S)(C,N; C(NH2)NHNCH(2-C4H3S) (?2-S, N; SC(NH2)NNCH(2-C4H3S)), and an octahedral complex 5 (Fe(CO)2(S, N; SC(NH2)NNCH (2-C4H3S))2. These

  7. Crystal structure of 4-hy­droxy-3-meth­oxy­benzaldehyde 4-methyl­thio­semi­carbazone methanol monosolvate

    PubMed Central

    de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; Feitosa, Bárbara Regina Santos

    2015-01-01

    In the title solvate, C15H15N3O2S·CH3OH, the thio­semicarbazone mol­ecule is approximately planar; the maximum deviation from the mean plane is 0.4659?(14)?Å and the dihedral angle between the aromatic rings is 9.83?(8)°. This conformation is supported by an intra­molecular N—H?N hydrogen bond. In the crystal, the thio­semicarbazone mol­ecules are linked into dimers by pairs of N—H?S hydrogen bonds, thereby generating R 2 2(8) loops. The methanol solvent mol­ecule bonds to the thio­semicarbazone mol­ecule through a bifurcated O—H?(O,O) hydrogen bond and also accepts an O—H?O link from the thio­semicarbazone mol­ecule. Together, these links generate a three-dimensional network. PMID:25995922

  8. Spectral studies of copper(II) complexes of 6-(3-thienyl) pyridine-2-thiosemicarbazone

    SciTech Connect

    Mahjoub, Omima Abdalla; Farina, Yang [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia)

    2014-09-03

    Two novel copper(II) complexes [Cu(HL)Cl]Cl.H{sub 2}O (1) and [Cu(L)NO{sub 3}]Ðœ‡H{sub 2}O (2) of the three NNS donor thiosemicarbazone ligand 6-(3-thienyl) pyridine-2-thiosemicarbazone have been synthesized. The ligand and its copper(II) complexes were characterized by elemental analysis (C, H, N, and S), FT-IR, UV-visible, magnetic susceptibility and molar conductance. The thiosemicarbazone is present either as the thione form in complex 1 or as thiol form in complex 2 and is coordinated to copper(II) atom via the pyridine nitrogen atom, the azomethine nitrogen atom and the sulfur atom. The physicochemical and spectral data suggest square planar geometry for copper(II) atoms.

  9. Combinatorial optimization of isatin-beta-thiosemicarbazones as anti-poxvirus agents.

    PubMed

    Pirrung, Michael C; Pansare, Sunil V; Sarma, Koushik Das; Keith, Kathy A; Kern, Earl R

    2005-04-21

    Novel strategies are required to combat pox virus infections, whether caused by escape of viruses such as monkeypox from indigenous areas or intentional release of smallpox. Anti-smallpox drugs with a unique mode of antiviral action, inhibition of transcription termination, were known but not therapeutically useful. Using a combinatorial method, variants of the basic isatin-beta-thiosemicarbazone structure were prepared and examined for cytotoxicity and antiviral activity in vaccinia virus- and cowpox virus-infected human cells. Potent and much more selective N-aminomethyl-isatin-beta-thiosemicarbazones were discovered. PMID:15828843

  10. Anti-tumor evaluation of benzaldehyde in the dog and cat.

    PubMed

    MacEwen, E G

    1986-02-01

    Fourteen dogs and 11 cats with various malignant tumors were treated daily with benzaldehyde at a dosage rate of 10 mg/kg of body weight, orally, divided into 4 doses. Clinical signs of toxicosis were not observed. A partial response (greater than 50% regression) was observed in animals with an oral squamous cell carcinoma and an oral melanoma. A minimal response (less than 50% regression) was observed in animals with a sweat gland adenocarcinoma and a mast cell sarcoma. One dog with an oral melanoma had stabilization of tumor growth for 8 weeks. Seemingly, benzaldehyde has only minimal anti-tumor activity at the dose studied. PMID:3954233

  11. Zeolites as catalysts in organic reactions. Claisen-Schmidt condensation of acetophenone with benzaldehyde

    Microsoft Academic Search

    M. J. Climent; H. Garcia; J. Primo; A. Corma

    1990-01-01

    HY zeolites catalyze the crossed aldol condensation of acetophenone with benzaldehyde, in benzene at 80 °C, to give trans- and cis-chalcones. Together with these expected products, 3,3-diphenylpropiophenone is also produced. In the analogous basic condensation, using phase transfer catalysis, the Michael adduct was not detected, and besides chalcone a small percentage of the Cannizzaro reaction product was observed.

  12. Serotonin Mediates a Learned Increase in Attraction to High Concentrations of Benzaldehyde in Aged "C. elegans"

    ERIC Educational Resources Information Center

    Tsui, David; van der Kooy, Derek

    2008-01-01

    We utilized olfactory-mediated chemotaxis in "Caenorhabditis elegans" to examine the effect of aging on information processing and animal behavior. Wild-type (N2) young adults (day 4) initially approach and eventually avoid a point source of benzaldehyde. Aged adult animals (day 7) showed a stronger initial approach and a delayed avoidance to…

  13. Growth of 4-(dimethylamino) benzaldehyde doped triglycine sulphate single crystals and its characterization

    Microsoft Academic Search

    Chitharanjan Rai; K. Sreenivas; S. M. Dharmaprakash

    2009-01-01

    Single crystals of triglycine sulphate (TGS) doped with 1mol% of 4-(dimethylamino) benzaldehyde (DB) have been grown from aqueous solution at ambient temperature by slow evaporation technique. The effect of dopant on the crystal growth and dielectric, pyroelectric and mechanical properties of TGS crystal have been investigated. X-ray powder diffraction pattern for pure and doped TGS was collected to determine the

  14. Antifungal activity of redox-active benzaldehydes that target cellular antioxidation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many pathogenic fungi are becoming resistant to currently available drugs. Disruption of cellular antioxidation systems should be an effective method for control of fungal pathogens. Such disruption can be achieved with redox-active compounds. The aim of this study was to identify benzaldehydes that...

  15. Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors.

    PubMed

    Hameed, Abdul; Khan, Khalid Mohammed; Zehra, Syeda Tazeen; Ahmed, Ramasa; Shafiq, Zahid; Bakht, Syeda Mahwish; Yaqub, Muhammad; Hussain, Mazhar; de la Vega de León, Antonio; Furtmann, Norbert; Bajorath, Jürgen; Shad, Hazoor Ahmad; Tahir, Muhammad Nawaz; Iqbal, Jamshed

    2015-08-01

    Urease is an important enzyme which breaks urea into ammonia and carbon dioxide during metabolic processes. However, an elevated activity of urease causes various complications of clinical importance. The inhibition of urease activity with small molecules as inhibitors is an effective strategy for therapeutic intervention. Herein, we have synthesized a series of 19 benzofurane linked N-phenyl semithiocarbazones (3a-3s). All the compounds were screened for enzyme inhibitor activity against Jack bean urease. The synthesized N-phenyl thiosemicarbazones had varying activity levels with IC50 values between 0.077±0.001 and 24.04±0.14?M compared to standard inhibitor, thiourea (IC50=21±0.11?M). The activities of these compounds may be due to their close resemblance of thiourea. A docking study with Jack bean urease (PDB ID: 4H9M) revealed possible binding modes of N-phenyl thiosemicarbazones. PMID:26119990

  16. Spectroscopic and biological studies on newly synthesized nickel(II) complexes of semicarbazones and thiosemicarbazones

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Gupta, Lokesh Kumar

    2005-12-01

    Nickel(II) complexes, having the general composition Ni(L) 2X 2, have been synthesized [where L: isopropyl methyl ketone semicarbazone (LLA), isopropyl methyl ketone thiosemicarbazone (LLB), 4-aminoacetophenone semicarbazone (LLC) and 4-aminoacetophenone thiosemicarbazone (LLD) and X = Cl -, 1/2SO 42-]. All the Ni(II) complexes reported here have been characterized by elemental analyses, magnetic moments, IR, electronic and mass spectral studies. All the complexes were found to have magnetic moments corresponding to two unpaired electrons. The possible geometries of the complexes were assigned on the basis of electronic and infrared spectral studies. Newly synthesized ligand and its nickel(II) complexes have been screened against different bacterial and fungal growth.

  17. Rationalization of physicochemical characters of oxazolyl thiosemicarbazone analogs towards multi-drug resistant tuberculosis: a QSAR approach.

    PubMed

    Gupta, Revathi A; Gupta, Arun K; Soni, Love K; Kaskhedikar, S G

    2007-08-01

    The emergence of multi-drug resistant (MDR) strains of Mycobacterium tuberculosis and the continuing pandemic of tuberculosis emphasizes the urgent need for the development of new and potent anti-tubercular agents. In an effort to develop new and more effective agents to treat tuberculosis emphasis was focused on quantification of structure-activity relationship of oxazolyl thiosemicarbazone derivatives. The de novo analysis gave insight to some important structural features i.e. nitro group on phenyl ring at R(1) position is optimal for the activity and might be responsible for electronic interaction, while phenyl ring at R position interact with the hydrophobic pocket more effectively as compared to unsubstituted or methyl substituted analogs. Hansch approach offered the understanding and parameterization of interactions of the inhibitor with receptor. Similarly QSAR analysis gave some important physicochemical properties, i.e. empirical aromatic index (ARR) and 3D-MoRSE code value of scattering angle at 8A(-1). These two physicochemical properties shall be helpful in the development of more potent analogs. PMID:17343958

  18. Synthesis of water-soluble azomethines based on the substituted benzaldehydes of vanillin series and D-(+)-glucosamine hydrochloride

    Microsoft Academic Search

    E. A. Dikusar; V. I. Potkin; N. G. Kozlov

    2009-01-01

    A preparative method for the synthesis of water-soluble azomethines by the reaction of substituted benzaldehydes of vanillin\\u000a series with D-(+)-glucosamine hydrochloride in the presence of potassium hydrogen carbonate in methanol was developed.

  19. Preparation and antibacterial activity of Schiff bases from O -carboxymethyl chitosan and para -substituted benzaldehydes

    Microsoft Academic Search

    Xueqiong YinJunhua; Junhua Chen; Wen Yuan; Qiang Lin; Li Ji; Fang Liu

    Seven Schiff bases were synthesized from O-carboxymethyl chitosan (CMC) and para-substituted benzaldehydes. The Schiff bases were characterized through Fourier Transform Infrared Spectroscopy, Carbon-13\\u000a Nuclear Magnetic Resonance (13C NMR), Distortionless Enhancement of Polarization Transfer (DEPT) 135 NMR, elemental analysis, and acid–base titration. Antibacterial\\u000a activities of the Schiff bases against Escherichia coli (E. coli, ATCC 35218) and Staphylococcus aureus (S. aureus, ATCC

  20. Preclinical pharmacokinetics evaluation of an anticonvulsant candidate benzaldehyde semicarbazone free and included in ?-cyclodextrin

    Microsoft Academic Search

    Moacir Kaiser; Francine Johansson Azeredo; Flávia De Toni Uchôa; Heloísa de Oliveira Beraldo; Teresa Dalla Costa

    2010-01-01

    The study aimed to investigate the pharmacokinetics and tissue distribution of the benzaldehyde semicarbazone (BS) a potential antiepileptic drug, administered as a free drug or complexed ?-cyclodextrin (BS\\/?-CD). Free BS and BS\\/?-CD were administered to male Wistar rats as a 10mg\\/kg intravenous bolus dose. For the oral route, 50mg\\/kg and 100mg\\/kg doses of the free drug and 50mg\\/kg of the

  1. Benzyl Derivatives with in Vitro Binding Affinity for Human Opioid Receptors and Cannabinoid Receptors from the Fungus Eurotium repens

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Bioassay-guided fractionation of the fungus Eurotium repens resulted in the isolation of two benzyl derivatives, repenol A (1) and repenol B (2). Seven known secondary metabolites were also isolated including five benzaldehyde compounds, flavoglaucin (3), tetrahydroauroglaucin (4), dihydroauroglauci...

  2. Coordination Chemistry of Polyaromatic Thiosemicarbazones 2: Synthesis and Biological Activity of Zinc, Cobalt, and Copper Complexes of 1-(Naphthalene-2-yl)ethanone Thiosemicarbazone

    PubMed Central

    LeBlanc, Marc-Andre; Gonzalez-Sarrías, Antonio; Beckford, Floyd A.; Mbarushimana, P. Canisius; Seeram, Navindra P.

    2012-01-01

    A novel thiosemicarbazone from 2-acetonaphthone (represented as acnTSC) has been synthesized and its basic coordination chemistry with zinc(II), cobalt(II), and copper(II) explored. The complexes were characterized by elemental analysis and various spectroscopic techniques and are best formulated as [M(acnTSC)2Cl2] with the metal likely in an octahedral environment. The anticancer activity of the complexes was determined against a panel of human colon cancer cells (HCT-116 and Caco-2). The compounds bind to DNA via an intercalative mode with binding constants of 9.7 × 104 M?1, 1.8 × 105 M?1, and 9.5 × 104 M?1 for the zinc, cobalt, and copper complexes, respectively. PMID:22303515

  3. Synthesis of 1H-indole-2,3-dione-3-thiosemicarbazone ribonucleosides as antibacterial agents.

    PubMed

    Kassab, Shaymaa E; Hegazy, Gehan H; Eid, Nahed M; Amin, Kamelia M; El-Gendy, Adel A

    2010-01-01

    A new isatin ribonucleoside (3) was synthesized in a good yield by trimethylsilyl trifluoromethanesulfonate (TMSOTf) catalyzed coupling reaction between the silylated nitrogenated base of 1H-Indole-2,3-dione (1) and 1,2,3,5-tetra-O-acetyl-beta-D-ribfuranose (2). Thiosemicarbazides 4a-e were utilized by the prepared ribonucleoside (3) to give new series of 1H-indole-2,3-dione-3-thiosemicarbazone ribonucleosides 5a-e. All compounds tested as antibacterial agents showed slight inhibitory activity against the selected bacterial strains. PMID:20391194

  4. Inner-shell spectroscopy of benzaldehyde, terephthalaldehyde, ethyl benzoate, terephthaloyl chloride, and phosgene: Models for core excitation of poly(ethylene terephthalate)

    SciTech Connect

    Hitchcock, A.P.; Urquhart, S.G. [McMaster Univ., Ontario (Canada); Rightor, E.G. [Texas Polymer Centre, Freeport, TX (United States)

    1992-10-29

    Oscillator strengths for C 1s and O 1s excitation of terephthalaldehyde, benzaldehyde, and ethyl benzoate and C 1s, O 1s and Cl 2p excitation of terephthaloyl chloride and phosgene have been derived from electron energy loss spectra recorded under scattering conditions where electric dipole transitions dominate. Extended Hueckel molecular orbital (EHMO) calculations were used to aid interpretation of the core excitation spectra of these multifunctional organic molecules. The experimental molecular spectra and EHMO calculations were used to estimate the C 1s and O 1s core excitation spectra of poly(ethylene terephthalate) (PET). Comparisons to the C 1s and O 1s energy loss spectra of PET recorded in an electron microscope have demonstrated that gas-phase spectra and theoretical studies of molecular analogues are useful in interpreting the core excitation spectra of polymers. 48 refs., 14 figs., 13 tabs.

  5. Mononuclear ruthenium(III) complexes containing chelating thiosemicarbazones: Synthesis, characterization and catalytic property

    NASA Astrophysics Data System (ADS)

    Raja, N.; Ramesh, R.

    2010-02-01

    Mononuclear ruthenium(III) complexes of the type [RuX(EPh 3) 2(L)] (E = P or As; X = Cl or Br; L = dibasic terdentate dehydroacetic acid thiosemicarbazones) have been synthesized from the reaction of thiosemicarbazone ligands with ruthenium(III) precursors, [RuX 3(EPh 3) 3] (where E = P, X = Cl; E = As, X = Cl or Br) and [RuBr 3(PPh 3) 2(CH 3OH)] in benzene. The compositions of the complexes have been established by elemental analysis, magnetic susceptibility measurement, FT-IR, UV-vis and EPR spectral data. These complexes are paramagnetic and show intense d-d and charge transfer transitions in dichloromethane. The complexes show rhombic EPR spectra at LNT which are typical of low-spin distorted octahedral ruthenium(III) species. All the complexes are redox active and display an irreversible metal centered redox processes. Complex [RuCl(PPh 3) 2(DHA-PTSC)] ( 5) was used as catalyst for transfer hydrogenation of ketones in the presence of isopropanol/KOH and was found to be the active species.

  6. Benzoxyl radical decomposition kinetics: formation of benzaldehyde + H, phenyl + CH2O, and benzene + HCO.

    PubMed

    da Silva, Gabriel; Bozzelli, Joseph W

    2009-06-25

    The kinetics of benzoxyl radical decomposition was studied using ab initio computational chemistry and RRKM rate theory. The benzoxyl radical is an important but short-lived intermediate in the combustion of toluene and other alkylated aromatic hydrocarbons. A theoretical study of the thermochemistry and kinetics to products over a range of temperatures and pressures for benzoxyl decomposition is reported. Ab initio calculations with the G3X theoretical method reveal low-energy pathways from the benzoxyl radical to benzaldehyde + H and the phenyl radical + formaldehyde (CH(2)O), as well as a novel mechanism to benzene + the formyl radical (HC(*)O). RRKM simulations were performed for benzoxyl decomposition as a function of temperature and pressure. Benzaldehyde formation constitutes more than 80% of the total reaction products at temperatures below 1000 K, decreasing to around 50% at 2000 K. Formation of benzene + HC(*)O and phenyl + CH(2)O is of similar importance, each accounting for 5-10% of the decomposition products at around 1000 K, increasing to 20-30% at 2000 K. The results presented here should lead to improved kinetic models for the oxidation of alkylated aromatic hydrocarbons, particularly for the formation of benzene as a direct oxidation product of toluene. Re-evaluation of the phenyl radical heat of formation leads us to suggest a benzene C-H bond dissociation energy in the range of 113.5-114.5 kcal mol(-1). PMID:19496593

  7. Investigation of the l-phenylacetylcarbinol process to substituted benzaldehydes of interest.

    PubMed

    Maroney, Kerrie Anne N; Culshaw, Peter N; Wermuth, Urs D; Cresswell, Sarah L

    2014-02-01

    The large scale industrial manufacture of the nasal decongestant pseudoephedrine is typically carried out by the reductive amination of l-phenylacetylcarbinol (l-PAC), which in turn is produced via the biotransformation of benzaldehyde using yeast. In recent years there has been increasing legislative control of the supply of pseudoephedrine due to it being diverted for the clandestine production of methylamphetamine and there is some evidence that a number of clandestine drug laboratory chemists have considered the application of the l-PAC process to manufacture their own pseudoephedrine. This work examined the use of a number of substituted benzaldehydes for the manufacture of the corresponding substituted l-PAC analogue followed by reductive amination to the corresponding substituted pseudoephedrine/ephedrine analogues. These substituted pseudoephedrine/ephedrine analogues were either reduced or oxidised to determine the feasibility of producing the corresponding methylamphetamine or methcathinone analogues. As a result, the l-PAC process was identified as a viable route for synthesis of substituted methylamphetamines and methcathinones. PMID:24447451

  8. Electropolymerized fluorinated aniline-based fiber for headspace solid-phase microextraction and gas chromatographic determination of benzaldehyde in injectable pharmaceutical formulations.

    PubMed

    Mohammadi, Ali; Mohammadi, Somayeh; Bayandori Moghaddam, Abdolmajid; Masoumi, Vahideh; Walker, Roderick B

    2014-10-01

    In this study, a simple method was developed and validated to detect trace levels of benzaldehyde in injectable pharmaceutical formulations by solid-phase microextraction coupled with gas chromatography-flame ionization detector. Polyaniline was electrodeposited on a platinum wire in trifluoroacetic acid solvent by cyclic voltammetry technique. This fiber shows high thermal and mechanical stability and high performance in extraction of benzaldehyde. Extraction and desorption time and temperature, salt effect and gas chromatography parameters were optimized as key parameters. At the optimum conditions, the fiber shows good linearity between peak area ratio of benzaldehyde/3-chlorobenzaldehyde and benzaldehyde concentration in the range of 50-800 ng/mL with percent relative standard deviation values ranging from 0.75 to 8.64% (n = 3). The limits of quantitation and detection were 50 and 16 ng/mL, respectively. The method has the requisite selectivity, sensitivity, accuracy and precision to assay benzaldehyde in injectable pharmaceutical dosage forms. PMID:24125736

  9. Wittig reactions in water. Synthesis of new water-soluble phosphonium salts and their reactions with substituted benzaldehydes

    Microsoft Academic Search

    Matthew G Russell; Stuart Warren

    1998-01-01

    We report the synthesis of new phosphonium salts which are soluble and stable in basic aqueous solution. The Wittig reactions of these phosphonium salts with substituted benzaldehydes in aqueous sodium hydroxide are discussed. These reactions exclude the use of any organic solvents and the products are isolated by a simple filtration.

  10. Synthesis, Spectroscopic, and Antimicrobial Studies on Bivalent Zinc and Mercury Complexes of 2-Formylpyridine Thiosemicarbazone

    PubMed Central

    Chandra, Sulekh; Parmar, Shikha; Kumar, Yatendra

    2009-01-01

    A series of metal complexes of Zn(II) and Hg(II) having the general composition [M(L)2]X2 [where L = 2-formylpyridine thiosemicarbazone; M = Zn(II) and Hg(II); X = Cl?, NO3? and 1/2SO42?] have been prepared and characterized by elemental chemical analysis, molar conductance, and spectral (IR and mass) studies. The IR spectral data suggests the involvement of sulphur and azomethane nitrogen in coordination to the central metal ion. On the basis of spectral studies, a tetrahedral geometry has been assigned for Zn(II) and Hg(II) complexes. The free ligand and its metal complexes have been tested in vitro against a number of microorganisms in order to assess their antimicrobial properties. PMID:19421419

  11. Zwitterionic-surfactant-stabilized palladium nanoparticles as catalysts in the hydrogen transfer reductive amination of benzaldehydes.

    PubMed

    Drinkel, Emma E; Campedelli, Roberta R; Manfredi, Alex M; Fiedler, Haidi D; Nome, Faruk

    2014-03-21

    Palladium nanoparticles (NPs) stabilized by a zwitterionic surfactant are revealed here to be good catalysts for the reductive amination of benzaldehydes using formate salts as hydrogen donors in aqueous isopropanol. In terms of environmental impact and economy, metallic NPs offer several advantages over homogeneous and traditional heterogeneous catalysts. NPs usually display greater activity due to the increased metal surface area and sometimes exhibit enhanced selectivity. Thus, it is possible to use very low loadings of expensive metal. The methodology eliminates the use of a hydrogen gas atmosphere or toxic or expensive reagents. A range of aromatic aldehydes were converted to benzylamines when reacted with primary and secondary amines in the presence of the Pd NPs, which also displayed good activity when supported on alumina. In every case, the Pd NPs could be easily recovered and reused up to three more times, and at the end of the process, the product was metal-free. PMID:24552129

  12. Electronic excitation energies, three-state intersections, and photodissociation mechanisms of benzaldehyde and acetophenone

    NASA Astrophysics Data System (ADS)

    Cui, Ganglong; Lu, You; Thiel, Walter

    2012-06-01

    We report a theoretical study on the electronically excited states and the mechanisms of photodissociation of C6H5CHO and C6H5COCH3. For both molecules, we find an S1/T2/T1 three-state intersection region, which allows for an efficient S1 ? T1 intersystem crossing via the T2 state that acts as a relay. Consequently, T1 reactions become the major radical photodissociation channels. According to the computed energy profiles, T1 photodissociation mainly yields phenyl and formyl radicals in the case of benzaldehyde, and benzoyl and methyl radicals in the case of acetophenone, with different C-C bonds being cleaved preferentially. The computational results agree well with the available experimental data.

  13. Preparation and Biodistribution Studies of a Radiogallium-Acetylacetonate Bis (Thiosemicarbazone) Complex in Tumor-Bearing Rodents

    PubMed Central

    Jalilian, Amir Reza; Yousefnia, Hassan; Shafaii, Kamaleddin; Novinrouz, Aytak; Rajamand, Amir Abbas

    2012-01-01

    Various radiometal complexes have been developed for tumor imaging, especially Ga-68 tracer. In the present study, the development of a radiogallium bis-thiosemicarbazone complex has been reported. [67Ga] acetylacetonate bis(thiosemicarbazone) complex ([67Ga] AATS) was prepared starting [67Ga]Gallium acetate and freshly prepared acetylacetonate bis (thiosemicarbazone) (AATS) in 30 min at 90°C. The partition co-efficient and the stability of the tracer were determined in final solution (25°C) and the presence of human serum (37°C) up to 24 h. The biodistribution of the labeled compound in wild-type and fibrosarcoma-bearing rodents were determined up to 72 h. The radiolabled Ga complex was prepared in high radiochemical purity (> 97%, HPLC) followed by initial biodistribution data with the significant tumor accumulation of the tracer in 2 h which is far higher than free Ga-67 cation while the compound wash-out is significantly faster. Above-mentioned pharmacokinetic properties suggest an interesting radiogallium complex while prepared by the PET Ga radioisotope, 68Ga, in accordance with the physical half life, for use in fibrosarcoma tumors, and possibly other malignancies. PMID:24250475

  14. Derivate

    NSDL National Science Digital Library

    2011-03-16

    In this activity, students input functions in order to calculate the derivative and tangent line of that function. This activity allows students to explore tangent lines of various functions. This activity includes supplemental materials, including background information about the topics covered, a description of how to use the application, and exploration questions for use with the java applet.

  15. Hydrogen Transfer Reduction of 4- tert-Butylcyclohexanone and Aldol Condensation of Benzaldehyde with Acetophenone on Basic Solids

    Microsoft Academic Search

    J. Lopez; J. Sanchez Valente; J.-M. Clacens; F. Figueras

    2002-01-01

    The liquid-phase reduction of 4-tert-butylcyclohexanone into 4-tert-butylcyclohexanol by reaction with isopropanol at 355 K has been studied on solid bases: mixed oxides obtained by calcination of hydrotalcites, NaBEA zeolites, KF\\/alumina, and La2O3 characterized by calorimetric FTIR adsorption of CO2 and FTIR pyridine adsorption. The aldol condensation of benzaldehyde and acetophenone at 423 K was investigated in parallel to clarify the

  16. Synthesis and physico-chemical and biological studies on ruthenium (III) complexes with Schiff bases derived from aminocarboxylic acids

    Microsoft Academic Search

    Vinod K. Sharma; Om P. Pandey; Soumitra K. Sengupta

    1987-01-01

    Summary Ruthenium(III) complexes of types [Ru(L)3], [Ru(L')Cl(H2O)2], [Ru(L?)Cl2]n, [Ru(L?)Cl(H2O)]n(LH =Schiff bases derived from anthranilic acid and benzaldehyde, acetophenone, vanillin, cinnamaldehyde orm-hydroxyacetophenone; L'H2=Schiff bases derived from anthranilic acid and salicylaldehyde oro-hydroxyacetophenone; L?H=Schiff bases derived fromp-aminobenzoic acid and benzaldehyde, acetophenone, vanillin, cinnamaldehyde orm-hydroxyacetophenone; L?H2=Schiff bases derived fromp-aminobenzoic acid and salicylaldehyde oro-hydroxyacetophenone) have been synthesized and characterized on the basis of elemental analyses,

  17. Biphasic aqueous/organic biotransformation of acetaldehyde and benzaldehyde by Zymomonas mobilis pyruvate decarboxylase.

    PubMed

    Rosche, Bettina; Breuer, Michael; Hauer, Bernhard; Rogers, Peter L

    2004-06-30

    Zymomonas mobilis pyruvate decarboxylase (PDC) transformed acetaldehyde and benzaldehyde into (R)-phenylacetylcarbinol (PAC), the precursor for the synthesis of ephedrine and pseudoephedrine. Organic solvents were screened for a biphasic biotransformation with the enzyme in an aqueous phase and the toxic substrates delivered through the organic phase. In the absence of substrates a second phase of 1-pentanol, hexadecane or MTBE (methyl tertiary-butyl ether) stabilized the PDC activity in comparison to a control without added solvent. Organic phase solvents for optimal PAC production had partitioning coefficient (log P) values between 0.8 and 2.8 (production of more than 8 mg PAC/ U PDC), however there was no correlation between enzyme stability and log P. Best PAC formation was observed with the eight tested alcohols, which in contrast to the other solvents allowed lower initial concentrations of toxic acetaldehyde (54-81 mM) in the aqueous phase. 1-pentanol, 1-hexanol, and isobutanol resulted in the highest specific PAC production of 11 mg PAC /U PDC. Without the addition of an organic phase, only 1.2 mg/U was formed. PMID:15162454

  18. Iron Chelators in Photodynamic Therapy Revisited: Synergistic Effect by Novel Highly Active Thiosemicarbazones

    PubMed Central

    2014-01-01

    In photodynamic therapy (PDT), a noninvasive anticancer treatment, visible light, is used as a magic bullet selectively destroying cancer cells by a photosensitizer that is nontoxic in the dark. Protoporphyrin IX (PpIX) is a natural photosensitizer synthesized in the cell, which is also a chelating agent that if bonded to Fe2+ forms heme, a central component of hemoglobin. Therefore, xenobiotic iron chelators can disturb iron homeostasis, increasing the accumulation of PpIX, obstructing the last step of heme biosynthesis, and enhancing PDT efficiency. However, the attempts to use this promising idea have not proved to be hugely successful. Herein, we revisited this issue by analyzing the application of iron chelators highly toxic in the dark, which should have higher Fe2+ affinity than the nontoxic chelators used so far. We have designed and prepared thiosemicarbazones (TSC) with the highest dark cellular cytotoxicity among TSCs ever reported. We demonstrate that compound 2 exerts powerful PDT enhancement when used in combination with 5-aminolevulinic acid (ALA), a precursor of PpIX. PMID:24900837

  19. Ruthenium (II) complexes of thiosemicarbazone: synthesis, biosensor applications and evaluation as antimicrobial agents.

    PubMed

    Yildirim, Hatice; Guler, Emine; Yavuz, Murat; Ozturk, Nurdan; Kose Yaman, Pelin; Subasi, Elif; Sahin, Elif; Timur, Suna

    2014-11-01

    A conformationally rigid half-sandwich organoruthenium (II) complex [(?(6)-p-cymene)RuClTSC(N-S)]Cl, (1) and carbonyl complex [Ru(CO)Cl(PPh3)2TSC(N-S)] (2) have been synthesized from the reaction of [{(?(6)-p-cymene)RuCl}2(?-Cl)2] and [Ru(H)(Cl)(CO)(PPh3)3] with thiophene-2-carboxaldehyde thiosemicarbazon (TSC) respectively and both novel ruthenium (II) complexes have been characterized by elemental analysis, FT-IR and NMR spectroscopy. The peripheral TSC in the complexes acts as an electrochemical coupling unit providing the ability to carry out electrochemical deposition (ED) and to form an electro-deposited film on a graphite electrode surface. The biosensing applicability of complexes 1 and 2 was investigated by using glucose oxidase (GOx) as a model enzyme. Electrochemical measurements at -0.9V versus Ag/AgCl electrode by following the ED Ru(II) reduction/oxidation due to from the enzyme activity, in the presence of glucose substrate. The designed biosensor showed a very good linearity for 0.01-0.5mM glucose. The in vitro antimicrobial activities of complexes 1 and 2 were also investigated against nine bacterial strains and one fungus by the disc diffusion test method. No activity was observed against the Gram-negative strains and fungus, whereas complex 1 showed moderate antibacterial activities against Gram-positive bacterial strains. PMID:25280673

  20. Targeting triple negative breast cancer cells by N3-substituted 9,10-Phenanthrenequinone thiosemicarbazones and their metal complexes

    NASA Astrophysics Data System (ADS)

    Afrasiabi, Zahra; Stovall, Preston; Finley, Kristen; Choudhury, Amitava; Barnes, Charles; Ahmad, Aamir; Sarkar, Fazlul; Vyas, Alok; Padhye, Subhash

    2013-10-01

    Novel N3-substituted 9,10-Phenanthrenequinone thiosemicarbazones and their copper, nickel and palladium complexes are structurally characterized and reported along with the single crystal X-ray structures of three ligands and one nickel complex. All compounds were evaluated for their antiproliferative potential against Triple Negative Breast Cancer (TNBC) cells which have poor prognosis and no effective drugs to treat with. All compounds exhibited antiproliferative activity against these cells. Among the metal complexes evaluated, redox active copper complexes were found to be more potent. The possible mechanism for such enhanced activity can be attributed to the generation of oxidative stress, which was amenable for targeting through metal complexation.

  1. Targeting triple negative breast cancer cells by N3-substituted 9,10-phenanthrenequinone thiosemicarbazones and their metal complexes.

    PubMed

    Afrasiabi, Zahra; Stovall, Preston; Finley, Kristen; Choudhury, Amitava; Barnes, Charles; Ahmad, Aamir; Sarkar, Fazlul; Vyas, Alok; Padhye, Subhash

    2013-10-01

    Novel N(3)-substituted 9,10-Phenanthrenequinone thiosemicarbazones and their copper, nickel and palladium complexes are structurally characterized and reported along with the single crystal X-ray structures of three ligands and one nickel complex. All compounds were evaluated for their antiproliferative potential against Triple Negative Breast Cancer (TNBC) cells which have poor prognosis and no effective drugs to treat with. All compounds exhibited antiproliferative activity against these cells. Among the metal complexes evaluated, redox active copper complexes were found to be more potent. The possible mechanism for such enhanced activity can be attributed to the generation of oxidative stress, which was amenable for targeting through metal complexation. PMID:23770498

  2. NMR-Spektren von trans —Chalcon-oxim,-semicarbazon und-thiosemicarbazon und ihren cyclischen Isomeren (3,5Diphenyl2-isoxazolin und 1-substituierte 3,5Diphenyl2-pyrazoline)

    Microsoft Academic Search

    A. T. Balaban; I. Zugrâvescu; S. Avramovici; W. Silhan

    1970-01-01

    Frühere Strukturvorschläge für dastrans-Chalcon-oxim, semicarbazon und thiosemicarbazon1 werden mit Hilfe von NMR-Spektren richtiggestellt: Die sauer katalysierte Reaktion führt zwar zum Oxim, Semicarbazon und Thiosemicarbazon destrans-Chalcons; basische Katalysatoren bewirken dagegen eine interne Cyclisierung zu 3,5-Diphenyl-2-isoxazolin bzw. zu 1-substituierten 3,5-Diphenyl-2-pyrazolinen. Die Zuordnungen in den NMR-Spektren wurden durch Vergleich mittrans-Dypnon und seinem Semicarbazon getroffen.

  3. Action of p-(4-amidino-phenoxy)-benzaldehyde-p-amidino-phenylhydrazone dihydrochloride on Leishmania donovani infections in the golden hamster.

    PubMed

    Raether, W; Seidenath, H; Loewe, H

    1978-12-01

    The chemotherapeutic effect of a new diamidine, HOE 668, the p-(4-amidino-phenoxy)-benzaldehyde-p-amidino-phenylhydrazone dihydrochloride, was compared with that of known anti-leishmanial drugs in golden hamsters infected with Leishmania donovani. The effect of HOE 668 against visceral leishmaniasis proved superior to that of pentamidine isethionate and the pentavalent antimonial drugs, sodium stibogluconate and N-methylglucamine antimoniate. However, HOE 668 can be used only experimentally because of its toxicity. Its very good anti-leishmanial action qualifies HOE 668 as a standard compound in screening tests. PMID:216324

  4. Antibacterial, antifungal and in vitro antileukaemia activity of metal complexes with thiosemicarbazones.

    PubMed

    Pahontu, Elena; Julea, Felicia; Rosu, Tudor; Purcarea, Victor; Chumakov, Yurie; Petrenco, Petru; Gulea, Aurelian

    2015-04-01

    1-phenyl-3-methyl-4-benzoyl-5-pyrazolone 4-ethyl-thiosemicarbazone (HL) and its copper(II), vanadium(V) and nickel(II) complexes: [Cu(L)(Cl)]·C?H?OH·(1), [Cu(L)?]·H?O (2), [Cu(L)(Br)]·H?O·CH?OH (3), [Cu(L)(NO?)]·2C?H?OH (4), [VO?(L)]·2H?O (5), [Ni(L)?]·H?O (6), were synthesized and characterized. The ligand has been characterized by elemental analyses, IR, (1) H NMR and (13) C NMR spectroscopy. The tridentate nature of the ligand is evident from the IR spectra. The copper(II), vanadium(V) and nickel(II) complexes have been characterized by different physico-chemical techniques such as molar conductivity, magnetic susceptibility measurements and electronic, infrared and electron paramagnetic resonance spectral studies. The structures of the ligand and its copper(II) (2, 4), and vanadium(V) (5) complexes have been determined by single-crystal X-ray diffraction. The composition of the coordination polyhedron of the central atom in 2, 4 and 5 is different. The tetrahedral coordination geometry of Cu was found in complex 2 while in complex 4, it is square planar, in complex 5 the coordination polyhedron of the central ion is distorted square pyramid. The in vitro antibacterial activity of the complexes against Escherichia coli, Salmonella abony, Staphylococcus aureus, Bacillus cereus and the antifungal activity against Candida albicans strains was higher for the metal complexes than for free ligand. The effect of the free ligand and its metal complexes on the proliferation of HL-60 cells was tested. PMID:25708540

  5. Antibacterial, antifungal and in vitro antileukaemia activity of metal complexes with thiosemicarbazones

    PubMed Central

    Pahontu, Elena; Julea, Felicia; Rosu, Tudor; Purcarea, Victor; Chumakov, Yurie; Petrenco, Petru; Gulea, Aurelian

    2015-01-01

    1-phenyl-3-methyl-4-benzoyl-5-pyrazolone 4-ethyl-thiosemicarbazone (HL) and its copper(II), vanadium(V) and nickel(II) complexes: [Cu(L)(Cl)]·C2H5OH·(1), [Cu(L)2]·H2O (2), [Cu(L)(Br)]·H2O·CH3OH (3), [Cu(L)(NO3)]·2C2H5OH (4), [VO2(L)]·2H2O (5), [Ni(L)2]·H2O (6), were synthesized and characterized. The ligand has been characterized by elemental analyses, IR, 1H NMR and 13C NMR spectroscopy. The tridentate nature of the ligand is evident from the IR spectra. The copper(II), vanadium(V) and nickel(II) complexes have been characterized by different physico-chemical techniques such as molar conductivity, magnetic susceptibility measurements and electronic, infrared and electron paramagnetic resonance spectral studies. The structures of the ligand and its copper(II) (2, 4), and vanadium(V) (5) complexes have been determined by single-crystal X-ray diffraction. The composition of the coordination polyhedron of the central atom in 2, 4 and 5 is different. The tetrahedral coordination geometry of Cu was found in complex 2 while in complex 4, it is square planar, in complex 5 the coordination polyhedron of the central ion is distorted square pyramid. The in vitro antibacterial activity of the complexes against Escherichia coli, Salmonella abony, Staphylococcus aureus, Bacillus cereus and the antifungal activity against Candida albicans strains was higher for the metal complexes than for free ligand. The effect of the free ligand and its metal complexes on the proliferation of HL-60 cells was tested. PMID:25708540

  6. Evaluation of the Anti-Schistosoma mansoni Activity of Thiosemicarbazones and Thiazoles

    PubMed Central

    de Oliveira, Sheilla Andrade; de Oliveira Filho, Gevânio Bezerra; Moreira, Diogo Rodrigo Magalhaes; Gomes, Paulo André Teixeira; da Silva, Anekécia Lauro; de Barros, Andréia Ferreira; da Silva, Aline Caroline; dos Santos, Thiago André Ramos; Pereira, Valéria Rêgo Alves; Gonçalves, Gabriel Gazzoni Araújo; Brayner, Fábio André; Alves, Luiz Carlos; Wanderley, Almir Gonçalves; Leite, Ana Cristina Lima

    2014-01-01

    Schistosomiasis is a chronic and debilitating disease caused by a trematode of the genus Schistosoma and affects over 207 million people. Chemotherapy is the only immediate recourse for minimizing the prevalence of this disease and involves predominately the administration of a single drug, praziquantel (PZQ). Although PZQ has proven efficacy, there is a recognized need to develop new drugs as schistosomicides since studies have shown that repeated use of this drug in areas of endemicity may cause a temporary reduction in susceptibility in isolates of Schistosoma mansoni. Hydrazones, thiosemicarbazones, phthalimides, and thiazoles are thus regarded as privileged structures used for a broad spectrum of activities and are potential candidates for sources of new drug prototypes. The present study determined the in vitro schistosomicidal activity of 10 molecules containing these structures. During the assays, parameters such motility and mortality, oviposition, morphological changes in the tegument, cytotoxicity, and immunomodulatory activity caused by these compounds were evaluated. The results showed that compounds formed of thiazole and phthalimide led to higher mortality of worms, with a significant decline in motility, inhibition of pairing and oviposition, and a mortality rate of 100% starting from 144 h of exposure. These compounds also stimulated the production of nitric oxide and tumor necrosis factor alpha (TNF-?), thereby demonstrating the presence of immunomodulatory activity. The phthalyl thiazole LpQM-45 caused significant ultrastructural alterations, with destruction of the tegument in both male and female worms. According to the present study, phthalyl thiazole compounds possess antischistosomal activities and should form the basis for future experimental and clinical trials. PMID:24165185

  7. Evaluation of benzaldehyde derivatives from Morinda officinalis as anti-mite agents with dual function as acaricide and mite indicator.

    PubMed

    Yang, Ji-Yeon; Kim, Min-Gi; Park, Jun-Hwan; Hong, Seong-Tshool; Lee, Hoi-Seon

    2014-01-01

    Severe fever with thrombocytopenia syndrome (SFTS) is an emerging infectious disease caused by SFTS virus with 12-30% fatality rate. Despite severity of the disease, any medication or treatment for SFTS has not developed yet. One approach to prevent SFTS spreading is to control the arthropod vector carrying SFTS virus. We report that 2-methylbenzaldehyde analogues from M. officinalis have a dual function as acaricide against Dermatophagoides spp. and Haemaphysalis longicornis and indicator (color change) against Dermatophagoides spp. Based on the LD50 values, 2,4,5-trimethylbenzaldehyde (0.21, 0.19, and 0.68 ?g/cm(3)) had the highest fumigant activity against D. farinae, D. pteronyssinus, and H. longicornis, followed by 2,3-dimethylbenzaldehyde (0.46, 0.44, and 0.79 ?g/cm(3)), 2,4-dimethylbenzaldehyde (0.66, 0.59, and 0.95 ?g/cm(3)), 2,5-dimethylbenzaldehyde (0.65, 0.68, and 0.88 ?g/cm(3)), 2-methylbenzaldehyde (0.95, 0.87, and 1.28 ?g/cm(3)), 3-methylbenzaldehyde (0.99, 0.93, and 1.38 ?g/cm(3)), 4-methylbenzaldehyde (1.17, 1.15, and 3.67 ?g/cm(3)), and M. officinalis oil (7.05, 7.00, and 19.70 ?g/cm(3)). Furthermore, color alteration of Dermatophagoides spp. was shown to be induced, from colorless to dark brown, by the treatment of 2,3-dihydroxybenzaldehyde. These finding indicated that 2-methylbenzaldehyde analogues could be developed as functional agent associated with the arthropod vector of SFTS virus and allergen. PMID:25434408

  8. Nickel(II) Complex of Polyhydroxybenzaldehyde N4-Thiosemicarbazone Exhibits Anti-Inflammatory Activity by Inhibiting NF-?B Transactivation

    PubMed Central

    Loh, Sheng Wei; Looi, Chung Yeng; Hassandarvish, Pouya; Phan, Alicia Yi Ling; Wong, Won Fen; Wang, Hao; Paterson, Ian C.; Ea, Chee Kwee; Mustafa, Mohd Rais; Maah, Mohd Jamil

    2014-01-01

    Background The biological properties of thiosemicarbazone have been widely reported. The incorporation of some transition metals such as Fe, Ni and Cu to thiosemicarbazone complexes is known to enhance its biological effects. In this study, we incorporated nickel(II) ions into thiosemicarbazone with N4-substitution groups H3L (H; H3L1, CH3; H3L2, C6H5; H3L3 and C2H5; H3L4) and examined its potential anti-inflammatory activity. Methodology/Principal Findings Four ligands (1–4) and their respective nickel-containing complexes (5–8) were synthesized and characterized. The compounds synthesized were tested for their effects on NF-?B nuclear translocation, pro-inflammatory cytokines secretion and NF-?B transactivation activity. The active compound was further evaluated on its ability to suppress carrageenan-induced acute inflammation in vivo. A potential binding target of the active compound was also predicted by molecular docking analysis. Conclusions/Significance Among all synthesized compounds tested, we found that complex [Ni(H2L1)(PPh3)]Cl (5) (complex 5), potently inhibited I?B? degradation and NF-?B p65 nuclear translocation in LPS-stimulated RAW264.7 cells as well as TNF?-stimulated HeLa S3 cells. In addition, complex 5 significantly down-regulated LPS- or TNF?-induced transcription of NF-?B target genes, including genes that encode the pro-inflammatory cytokines TNF?, IFN? and IL6. Luciferase reporter assays confirmed that complex 5 inhibited the transactivation activity of NF-?B. Furthermore, the anti-inflammatory effect of complex 5 was also supported by its suppressive effect on carrageenan-induced paw edema formation in wild type C57BL/6 mice. Interestingly, molecular docking study showed that complex 5 potentially interact with the active site of IKK?. Taken together, we suggest complex 5 as a novel NF-?B inhibitor with potent anti-inflammatory effects. PMID:24977407

  9. Spectroscopic and biological approach of Ni(II) and Cu(II) complexes of 2-pyridinecarboxaldehyde thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Raizada, Smriti; Tyagi, Monika; Sharma, Praveen Kumar

    2008-03-01

    Ni(II) and Cu(II) complexes having the general composition [M(L) 2X 2] [where L = 2-pyridinecarboxaldehyde thiosemicarbazone, M = Ni(II) and Cu(II), X = Cl -, NO 3- and 1/2 SO 42-] have been synthesized. All the metal complexes were characterized by elemental analysis, molar conductance, magnetic moment, mass, IR, EPR and electronic spectral studies. The magnetic moment measurements of the complexes indicate that all the complexes are of high-spin type. On the basis of spectral studies an octahedral geometry has been assigned for Ni(II) complexes whereas tetragonal geometry for Cu(II) except [Cu(L) 2SO 4] which posseses five coordinated geometry. The ligand and its metal complexes were screened against phytopathogenic fungi and bacteria in vitro.

  10. Crystal structures of 5-Bromo-2-hydroxybenzaldehyde, 2-hydroxy-3-methoxybenzaldehyde, and 2-hydroxynaphthalene-1-carbaldehyde 4-(2-pyridyl) thiosemicarbazones

    NASA Astrophysics Data System (ADS)

    Chumakov, Yu. M.; Petrenko, P. A.; Codita, T. B.; Tsapkov, V. I.; Poirier, D.; Gulea, A. P.

    2014-03-01

    5-Bromo-2-hydroxybenzaldehyde, 2-hydroxy-3-methoxybenzaldehyde, and 2-hydroxynaphthalene-1-carbaldehyde 4-(2-pyridyl) thiosemicarbazones ( I-III, respectively) were synthesized and their crystal structures were determined by X-ray diffraction. All these molecules are almost planar. The presence of bulky substituents at the terminal nitrogen atoms of these molecules does not lead to changes in the conformation of the thiosemicarbazide moiety. Depending on the nature of substituents in the phenol rings, the crystals are composed of either centrosymmetric dimers ( I) or infinite chains ( II and III). In the concentration range of 10-5-10-7 mol/L, thiosemicarbazones I-III selectively inhibit the growth of human myeloid leukemia HL60 cells.

  11. Synthesis, antioxidant activities of the nickel(II), iron(III) and oxovanadium(IV) complexes with N2O2 chelating thiosemicarbazones

    NASA Astrophysics Data System (ADS)

    Bal-Demirci, Tülay; ?ahin, Musa; Özyürek, Mustafa; Kondakç?, Esin; Ülküseven, Bahri

    The nickel(II), iron(III) and oxovanadium(IV) complexes of the N2O2 chelating thiosemicarbazones were synthesized using 4-hydroxysalicyladehyde-S-methylthiosemicarbazone and R1-substitute-salicylaldehyde (R1: 4-OH, H) in the presence of Ni(II), Fe(III), VO(IV) ions by the template reaction. The structures of the thiosemicarbazone complexes were characterized by FT-IR, 1H NMR, elemental, ESI-MS and APCI-MS analysis. The synthesized compounds were screened for their antioxidant capacity by using the cupric reducing antioxidant capacity (CUPRAC) method. Trolox equivalent antioxidant capacity (TEAC) of iron(III) complex, 1c, was measured to be higher than that of the other complexes. Other parameters of antioxidant activity (scavenging effects on rad OH, O2rad - and H2O2) of these compounds were also determined. All the compounds have shown encouraging ROS scavenging activities.

  12. Synthesis, antioxidant activities of the nickel(II), iron(III) and oxovanadium(IV) complexes with N2O2 chelating thiosemicarbazones.

    PubMed

    Bal-Demirci, Tülay; Sahin, Musa; Ozyürek, Mustafa; Kondakç?, Esin; Ulküseven, Bahri

    2014-05-21

    The nickel(II), iron(III) and oxovanadium(IV) complexes of the N2O2 chelating thiosemicarbazones were synthesized using 4-hydroxysalicyladehyde-S-methylthiosemicarbazone and R1-substitute-salicylaldehyde (R1: 4-OH, H) in the presence of Ni(II), Fe(III), VO(IV) ions by the template reaction. The structures of the thiosemicarbazone complexes were characterized by FT-IR, (1)H NMR, elemental, ESI-MS and APCI-MS analysis. The synthesized compounds were screened for their antioxidant capacity by using the cupric reducing antioxidant capacity (CUPRAC) method. Trolox equivalent antioxidant capacity (TEAC) of iron(III) complex, 1c, was measured to be higher than that of the other complexes. Other parameters of antioxidant activity (scavenging effects on •OH, O2(•-) and H2O2) of these compounds were also determined. All the compounds have shown encouraging ROS scavenging activities. PMID:24656797

  13. Operational concept for the improved synthesis of (R)-3,3'-furoin and related hydrophobic compounds with benzaldehyde lyase.

    PubMed

    Ansorge-Schumacher, Marion B; Greiner, Lasse; Schroeper, Florian; Mirtschin, Sebastian; Hischer, Tanja

    2006-05-01

    Biphasic reaction systems for enzyme catalysis are an elegant way to overcome limited solubility and stability of reactants and facilitate continuous processes. However, many synthetically useful enzymes are not stable in biphasic systems of water and organic solvent. The entrapment in polymer beads of polyvinyl alcohol has been shown to enable the stable operation of enzymes unstable in conventional biphasic reaction systems. We report the extension of this concept to continuous operation in a fluidised bed reactor. The enzyme benzaldehyde lyase was used for the continuous synthesis of enantiopure (R)-3,3'-furoin. The results show enhanced stability with half-life times under operation conditions of more than 100 h, as well as superior enzyme utilisation in terms of productivity. Furthermore, racemisation and oxidation of the product could be successfully prevented under the non-aqueous and inert reaction conditions. PMID:16892292

  14. Single-crystal growth of 4-hydroxy-3-methoxy benzaldehyde by the Bridgman technique and its characterization

    NASA Astrophysics Data System (ADS)

    Kannan, V.; Jayaprakasan, M.; Bairava Ganesh, R.; Ramasamy, P.

    2006-08-01

    Single-crystal growth of 4-hydroxy-3-methoxy benzaldehyde (vanillin), an excellent molecular nonlinear optical (NLO) material, from the melt using the Bridgman technique is reported for the first time. Differential thermal analysis experiments indicated that the substance melts congruently at 81 °C. A precise temperature profile plot of the resistive furnace used was measured using a simple PC-based time-temperature data logging system. Powder X-ray diffraction analysis of the grown crystal revealed the crystal belongs to the monoclinic system. Fourier transform infrared spectra were used to assign various modes and identify the functional groups. The crystal exhibited a wide window of transmission unlike other organic NLO crystals. The optical second harmonic generation conversion efficiency of vanillin was determined using the Kurtz powder technique.

  15. Synthesis, Spectroscopic and Physicochemical Characterization and Biological Activity of Co(II) and Ni(II) Coordination Compounds with 4-Aminoantipyrine Thiosemicarbazone

    PubMed Central

    2005-01-01

    We describe the synthesis and characterization of cobalt(II) and nickel(II) coordination compounds of 4[N-(furan-2’-aldimine)amino]antipyrine thiosemicarbazone (FFAAPTS) and 4[N-(4'-nitrobenzalidene) amino]antipyrine thiosemicarbazone (4'-NO2BAAPTS). All the isolated compounds have the general composition MX2(L)(H2O) (M = Co2+ or Ni2+; X = Cl, Br, NO3, NCS or CH3COO; L = FFAAPTS or 4'-NO2BAAPTS) and M(ClO4)2(L)2 (M = Co2+ or Ni2+; L = FFAAPTS or 4'-NO2BAAPTS). Infrared spectral studies indicate that both the thiosemicarbazones coordinate in their neutral form and they act as {N,N,S} tridentate chelating ligands. Room temperature magnetic measurements and electronic spectral studies suggest the distorted octahedral geometries of the prepared complexes. Thermogravimetric studies are also reported and the possible structures of the complexes are proposed. Antibacterial and antifungal properties of these metal-coordination compounds have also been studied. PMID:18365104

  16. Application of solid-liquid TPPBs to the production of L-phenylacetylcarbinol from benzaldehyde using Candida utilis.

    PubMed

    Khan, Tanya R; Daugulis, Andrew J

    2010-11-01

    The biotransformation of benzaldehyde and glucose to L-phenylacetylcarbinol (PAC) using Candida utilis was demonstrated in a solid-liquid two-phase partitioning bioreactor (TPPB) with the aim of reducing substrate, product, and by-product toxicity via sequestration. Previous work in the field had used octanol as the sequestering phase of liquid-liquid TPPBs but was limited by the toxic effects of octanol on C. utilis. To improve solvent selection in any future studies, the critical log?P of C. utilis was determined in the current study to be 4.8 and can be used to predict biocompatible solvents. Bioavailability tests showed alkanes and alkenes to be non-bioavailable. As polymers are biocompatible and non-bioavailable, a wide range of commercially available polymers was screened and it was demonstrated that polymer softness plays a key role in absorptive capability. The polymer Hytrel G3548L was selected as the second phase to sequester benzaldehyde, PAC, and benzyl alcohol, with partition coefficients of 35, 7.5, and 10, respectively. With a 9% by volume partitioning phase, 13.6?g/L biomass of C. utilis achieved an overall PAC concentration of 11?g/L, a 1.9-fold improvement over the single-phase case. Benzyl alcohol concentration was 4.5?g/L, a 1.6-fold reduction. The volumetric productivity was 0.85?g/L?h, a 1.2-fold improvement over the single-phase system. These results demonstrate a promising starting point for solid-liquid TPPBs for PAC production. PMID:20552670

  17. Selective oxidation of toluene to benzaldehyde by O{sub 2} with visible light in barium(2+)- and calcium(2+)-exchanged zeolite Y

    SciTech Connect

    Sun, H.; Blatter, F.; Frei, H. [Lawrence Berkeley Lab., CA (United States)

    1994-08-24

    High selectivity has been demonstrted upon visible light induced oxygenation of toluene to benzaldehyde in alkaline earth exchanged zeolite Y. We attribute the tight product control to mainly two factors. One is access to the C{sub 6}H{sub 5}CH{sub 3}-O{sub 2} excited charge-transfer state by light of sufficiently long wavelength to prevent loss of product control by photofragmentation of primary products or by homolysis of the proposed hydroperoxide intermediate. The second is confinement of benzyl/HO{sub 2} radical pairs to the zeolite matrix cage, which suppresses indiscriminate attack of these radicals and forces them to combine. The Co{sup 3+}-catalyzed radical oxidation of toluene by O{sub 2} in solution used currently in an industrial process for benzaldehyde synthesis lacks this selectivity, mainly because of continued oxidation of the aldehyde to benzoic acid. 24 refs., 2 figs.

  18. Suitable combination of promoter and micellar catalyst for kilo fold rate acceleration on benzaldehyde to benzoic acid conversion in aqueous media at room temperature: a kinetic approach.

    PubMed

    Ghosh, Aniruddha; Saha, Rumpa; Ghosh, Sumanta K; Mukherjee, Kakali; Saha, Bidyut

    2013-05-15

    The kinetics of oxidation of benzaldehyde by chromic acid in aqueous and aqueous surfactant (sodium dodecyl sulfate, SDS, alkyl phenyl polyethylene glycol, Triton X-100 and N-cetylpyridinium chloride, CPC) media have been investigated in the presence of promoter at 303 K. The pseudo-first-order rate constants (kobs) were determined from a logarithmic plot of absorbance as a function time. The rate constants were found to increase with introduction of heteroaromatic nitrogen base promoters such as Picolinic acid (PA), 2,2'-bipyridine (bipy) and 1,10-phenanthroline (phen). The product benzoic acid has been characterized by conventional melting point experiment, NMR, HRMS and FTIR spectral analysis. The mechanism of both unpromoted and promoted reaction path has been proposed for the reaction. In presence of the anionic surfactant SDS, cationic surfactant CPC and neutral surfactant TX-100 the reaction can undergo simultaneously in both aqueous and micellar phase with an enhanced rate of oxidation in the micellar phase. Both SDS and TX-100 produce normal micellar effect whereas CPC produce reverse micellar effect in the presence of benzaldehyde. The observed net enhancement of rate effects has been explained by considering the hydrophobic and electrostatic interaction between the surfactants and reactants. SDS and bipy combination is the suitable one for benzaldehyde oxidation. PMID:23501718

  19. Suitable combination of promoter and micellar catalyst for kilo fold rate acceleration on benzaldehyde to benzoic acid conversion in aqueous media at room temperature: A kinetic approach

    NASA Astrophysics Data System (ADS)

    Ghosh, Aniruddha; Saha, Rumpa; Ghosh, Sumanta K.; Mukherjee, Kakali; Saha, Bidyut

    2013-05-01

    The kinetics of oxidation of benzaldehyde by chromic acid in aqueous and aqueous surfactant (sodium dodecyl sulfate, SDS, alkyl phenyl polyethylene glycol, Triton X-100 and N-cetylpyridinium chloride, CPC) media have been investigated in the presence of promoter at 303 K. The pseudo-first-order rate constants (kobs) were determined from a logarithmic plot of absorbance as a function time. The rate constants were found to increase with introduction of heteroaromatic nitrogen base promoters such as Picolinic acid (PA), 2,2'-bipyridine (bipy) and 1,10-phenanthroline (phen). The product benzoic acid has been characterized by conventional melting point experiment, NMR, HRMS and FTIR spectral analysis. The mechanism of both unpromoted and promoted reaction path has been proposed for the reaction. In presence of the anionic surfactant SDS, cationic surfactant CPC and neutral surfactant TX-100 the reaction can undergo simultaneously in both aqueous and micellar phase with an enhanced rate of oxidation in the micellar phase. Both SDS and TX-100 produce normal micellar effect whereas CPC produce reverse micellar effect in the presence of benzaldehyde. The observed net enhancement of rate effects has been explained by considering the hydrophobic and electrostatic interaction between the surfactants and reactants. SDS and bipy combination is the suitable one for benzaldehyde oxidation.

  20. Transition metal complexes of Vanillin- 4N-(2-pyridyl) thiosemicarbazone (H 2VPT); thermal, structural and spectroscopic studies

    NASA Astrophysics Data System (ADS)

    El-Reash, Gaber Abu; El-Ayaan, Usama; Gabr, I. M.; El-Rachawy, El-Bastawesy

    2010-04-01

    The present work carried out a study on the ligational behavior of the new ligand, Vanillin- 4N-(2-pyridyl) thiosemicarbazone (H 2VPT) 1 towards some transition metal ions namely, Mn 2+, Co 2+, Ni 2+, Cu 2+, Zn 2+,Cd 2+, Hg 2+ and U 6+. These complexes namely [Mn(HVPT)Cl] 2, [Co(VPT)(H 2O)] 2H 2O 3, [Ni(HVPT)Cl(H 2O)] 4, [Cu(HVPT)Cl(H 2O)] 5, [Zn(VPT)(H 2O)]H 2O 6, [Cd(HVPT)Cl(H 2O)] 7, [Hg(VPT)(H 2O)]H 2O 8 and [UO 2(H 2VPT)(OAc) 2]H 2O 9, were characterized by elemental analysis, spectral (IR, 1H NMR and UV-vis) and magnetic moment measurements. The suggested structures were confirmed by applying geometry optimization and conformational analysis. Thermal properties and decomposition kinetics of all compounds are investigated. The interpretation, mathematical analysis and evaluation of kinetic parameters ( E, A, ? H, ? S and ? G) of all thermal decomposition stages have been evaluated using Coats-Redfern equation. ESR spectra of [Cu(HVPT)Cl]H 2O at room temperature show broad signal, indicating spin-exchange interactions between copper(II) ions.

  1. Synthesis, spectroscopic, anticancer and antibacterial studies of Ni(II) and Cu(II) complexes with 2-carboxybenzaldehyde thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Vandana

    2014-08-01

    Ni(II) and Cu(II) complexes of 2-carboxybenzaldehyde thiosemicarbazone (L) were synthesized and investigated by their spectral and analytical data. These newly synthesized complexes have a composition of M(L)X(H2O)2 (where M = Ni(II), Cu(II) and X = Cl-, NO3-, CH3COO-) and (L) is the tridentate Schiff base ligand. The ligand and its complexes have been characterized on the basis of analytical, molar conductivity, magnetic susceptibility measurements, FT-IR, ESR, 1H NMR and electronic spectral analysis. All the compounds were non-electrolytic in nature. On the basis of spectral studies an octahedral geometry has been assigned for Ni(II) and a tetragonal geometry for Cu(II) complexes. The ligand and its metal complexes were screened for their anticancer studies against human breast cancer cell lines MCF-7 and calculated minimum inhibitory concentration and also for antibacterial activity using Kirby-Bauer single disk susceptibility test.

  2. Synthesis, spectroscopic, anticancer and antibacterial studies of Ni(II) and Cu(II) complexes with 2-carboxybenzaldehyde thiosemicarbazone.

    PubMed

    Chandra, Sulekh; Vandana

    2014-08-14

    Ni(II) and Cu(II) complexes of 2-carboxybenzaldehyde thiosemicarbazone (L) were synthesized and investigated by their spectral and analytical data. These newly synthesized complexes have a composition of M(L)X(H2O)2 (where M=Ni(II), Cu(II) and X=Cl(-), NO3(-), CH3COO(-)) and (L) is the tridentate Schiff base ligand. The ligand and its complexes have been characterized on the basis of analytical, molar conductivity, magnetic susceptibility measurements, FT-IR, ESR, (1)H NMR and electronic spectral analysis. All the compounds were non-electrolytic in nature. On the basis of spectral studies an octahedral geometry has been assigned for Ni(II) and a tetragonal geometry for Cu(II) complexes. The ligand and its metal complexes were screened for their anticancer studies against human breast cancer cell lines MCF-7 and calculated minimum inhibitory concentration and also for antibacterial activity using Kirby-Bauer single disk susceptibility test. PMID:24747857

  3. Synthesis, crystal structure and biological activity of 1-(1 H-benzoimidazol-2-yl)-ethanone thiosemicarbazone and its cobalt complex

    Microsoft Academic Search

    Mehmet Poyraz; Musa Sari; Fatih Demirci; Muberra Kosar; Seref Demirayak; Orhan Büyükgüngör

    2008-01-01

    1-(1H-Benzoimidazol-2-yl)-ethanone thiosemicarbazone (H2L) (1) was obtained by the condensation reaction of 2-acetylbenzimidazole, thiosemicarbazide and acetic acid in ethanol. The novel cobalt(III) complex [Co(L)(HL)] 2 was prepared by the direct reaction of CoCl2·6H2O with the ligand H2L. The reaction products were characterized by elemental analysis, thermogravimetric analysis (TGA), FT-IR and mass spectrometry for H2L, and magnetic measurement for the Co(III) complex.

  4. A case of vaccinia necrosum (or progressive vaccinia), with severe hypogammaglobulinaemia, treated with n-methyl isatin beta-thiosemicarbazone (33T57)

    PubMed Central

    Flewett, T. H.; Ker, F. L.

    1963-01-01

    A fatal case of vaccinia necrosum treated with antivaccinial ? globulin and N-methyl isatin ?-thiosemicarbazone (33T57) is described. Histological abnormalities found at necropsy included intranuclear as well as cytoplasmic inclusion bodies, absence of lymphoid germinal centres, grey hepatization, and bronchiolar epithelial hyperplasia. Virus titres were highest in the original skin lesion; virus was also found in the lymph node draining it and in the kidney and the brain. No toxic effects could be clearly attributed to the drug used in treatment. Images PMID:13945539

  5. The relationship between ligand structures and their Co and Ni complexes: Synthesis and characterization of novel dimeric Co\\/Co complexes of bis(thiosemicarbazone)

    Microsoft Academic Search

    H. S. Seleem; A. A. Emara; M. Shebl

    2005-01-01

    4,6-Diacetylresorcinol serves as a starting point for the generation of multidentate S\\/N\\/O or O\\/N\\/O symmetrical chelating agents by condensation with thiosemicarbazide or semicarbazide to yield the corresponding bis(thiosemicarbazone) H4L or bis(semicarbazone) H4L, respectively. Reaction of H4L and H4L with M(NO3)2·6H2O (M?=?Co or Ni) afforded dimeric complexes for H4L and binuclear complexes for H4L, revealing the tendency of S to form

  6. A case of vaccinia necrosum (or progressive vaccinia), with severe hypogammaglobulinaemia, treated with n-methyl isatin beta-thiosemicarbazone (33T57).

    PubMed

    FLEWETT, T H; KER, F L

    1963-05-01

    A fatal case of vaccinia necrosum treated with antivaccinial gamma globulin and N-methyl isatin beta-thiosemicarbazone (33T57) is described. Histological abnormalities found at necropsy included intranuclear as well as cytoplasmic inclusion bodies, absence of lymphoid germinal centres, grey hepatization, and bronchiolar epithelial hyperplasia. Virus titres were highest in the original skin lesion; virus was also found in the lymph node draining it and in the kidney and the brain. No toxic effects could be clearly attributed to the drug used in treatment. PMID:13945539

  7. High-performance liquid chromatographic separation of enantiomers and diastereomers of 2-methylcyclohexanone thiosemicarbazone, and determination of absolute configuration and configurational stability.

    PubMed

    Cirilli, R; Ferretti, R; La Torre, F; Secci, D; Bolasco, A; Carradori, S; Pierini, M

    2007-11-23

    Simultaneous HPLC diastereo- and enantioseparations of 2-methylcyclohexanone thiosemicarbazone (2-MCET) were accomplished on coated- and immobilized type polysaccharide-based chiral stationary phases (CSPs). The identification of all stereoisomeric forms and their stereochemistry were achieved by combining theoretical, HPLC and chiroptical data. The stereochemical stability of the target compound was studied by classical off-column and dynamic HPLC kinetic procedures and the influence of different parameters such solvent, TFA concentration and temperature on stereoisomerization process was evaluated. The findings obtained by chromatographic and kinetic experiments were used to develop a simple method to convert the racemic form of 2-MCET into a single enantiomer. PMID:17959189

  8. Redox activation of Fe(III)-thiosemicarbazones and Fe(III)-bleomycin by thioredoxin reductase: specificity of enzymatic redox centers and analysis of reactive species formation by ESR spin trapping

    PubMed Central

    Myers, Judith M.; Cheng, Qing; Antholine, William E.; Kalyanaraman, Balaraman; Filipovska, Aleksandra; Arnér, ArnerElias S.J.; Myers, Charles R.

    2013-01-01

    Thiosemicarbazones such as triapine (Tp) and Dp44mT are tridentate iron (Fe) chelators that have well-documented anti-neoplastic activity. While Fe-thiosemicarbazones can undergo redox-cycling to generate reactive species that may have important roles in their cytotoxicity, there is only limited insight into specific cellular agents that can rapidly reduce Fe(III)-thiosemicarbazones and thereby promote their redox activity. Here we report that thioredoxin reductase-1 (TrxR1) and glutathione reductase (GR) have this activity, and that there is considerable specificity to the interactions between specific redox centers in these enzymes and different Fe(III) complexes. Site-directed variants of TrxR1 demonstrate that the selenocysteine (Sec) of the enzyme is not required, whereas the C59 residue and the flavin have important roles. While TrxR1 and GR have analogous C59/flavin motifs, TrxR is considerably faster than GR. For both enzymes, Fe(III)(Tp)2 is reduced faster than Fe(III)(Dp44mT)2. This reduction promotes redox cycling and the generation of hydroxyl radical (HO•) in a peroxide-dependent manner, even with low ?M levels of Fe(Tp)2. TrxR also reduces Fe(III)-bleomycin and this activity is Sec-dependent. TrxR cannot reduce Fe(III)-EDTA at significant rates. Our findings are the first to demonstrate pro-oxidant reductive activation of Fe(III)-based antitumor thiosemicarbazones by interactions with specific enzyme species. The marked elevation of TrxR in many tumors could contribute to the selective tumor toxicity of these drugs by enhancing the redox activation of Fe(III)-thiosemicarbazones and the generation of reactive oxygen species such as HO• PMID:23485585

  9. A dual radiolabelling approach for tracking metal complexes: investigating the speciation of copper bis(thiosemicarbazonates) in vitro and in vivo.

    PubMed

    Hueting, Rebekka; Kersemans, Veerle; Tredwell, Matthew; Cornelissen, Bart; Christlieb, Martin; Gee, Antony D; Passchier, Jan; Smart, Sean C; Gouverneur, Véronique; Muschel, Ruth J; Dilworth, Jonathan R

    2015-05-13

    Copper(ii)bis(thiosemicarbazonato) complexes such as [(64)Cu]Cu-ATSM continue to be investigated for positron emission tomography (PET) imaging of tumour hypoxia. However, the currently proposed mechanisms for the mode of action of these complexes are unable to account fully for their observed biological behaviour. In order to examine the roles of the copper metal and the ligand, we designed a pair of (123)I/(64)Cu-copper bis(thiosemicarbazonates), radiolabelled at either the metal or at the ligand. In vitro cellular retention studies of the orthogonal pair demonstrate for the first time that retention under hypoxia involves dissociation of the copper bis(thiosemicarbazone) complex, consistent with the previously suggested mechanism of reductive trapping of copper. In contrast, in vivo biodistribution and dynamic PET/SPECT imaging of the orthogonally labelled complexes underline our previous findings for [(64)Cu]Cu-ATSM and [(64)Cu]Cu-acetate, providing further support for the important contribution of copper metabolism in the in vivo hypoxia selectivity of Cu-ATSM. This dual radiolabelling approach may find applications for determining the speciation of other metal complexes in vitro and in vivo. PMID:25768310

  10. Cinnamaldehyde and cuminaldehyde thiosemicarbazones and their copper(II) and nickel(II) complexes: a study to understand their biological activity.

    PubMed

    Bisceglie, Franco; Pinelli, Silvana; Alinovi, Rossella; Goldoni, Matteo; Mutti, Antonio; Camerini, Alessandro; Piola, Lorenzo; Tarasconi, Pieralberto; Pelosi, Giorgio

    2014-11-01

    This paper reports the synthesis and characterization of trans-cinnamaldehyde thiosemicarbazone (Htcin), cuminaldehyde thiosemicarbazone (Htcum) and their copper and nickel complexes. All the compounds, which on healthy cells (human fibroblasts) show a neglectable cytotoxicity, were screened in vitro in cell line U937 for their antileukemic activity. These compounds, in spite of their molecular similarity, present variegated behaviors. Htcin shows no inhibition activity in U935 cells, while both its metal complexes inhibit proliferation with IC50 at ?M concentrations. The other ligand, Htcum, and its metal complexes, besides inhibiting proliferation, induce apoptosis. The cell cycle analysis highlights a G2/M checkpoint stop suggesting a possible direct action on DNA or on topoisomerase IIa. From CD and UV spectroscopy experiments, the DNA results to be not the main target of all these molecules, while both copper complexes are effective topoisomerase IIa inhibitors. All of these molecules activate caspase-9 and caspase-3, while caspase-8 activity is significantly induced by both cinnamaldehyde metal complexes. Tests on PgP and intracellular metal concentrations (determined by mean of atomic absorption spectrometry) show that the compounds tend to accumulate in the cytoplasm and that the cells do not manage to pump out copper and nickel ions. PMID:25108184

  11. Partial conversion of thioamide into nitrile in a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone), a drug prototype for Alzheimer's disease.

    PubMed

    Vieira, Rafael P; Thompson, John R; Beraldo, Heloisa; Storr, Tim

    2015-06-01

    This work reports the crystal structure of [(Z)-2-((E)-1-{6-[1-({[amino(sulfanidyl-?S)methylidene]amino}imino-?N)ethyl]pyridin-2-yl-?N}ethylidene)-1-cyanohydrazinido-?N(1)]copper(II), [Cu(C11H11N7S)], the first description of a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone) showing partial conversion of a thioamide group to a nitrile group. The asymmetric ligand coordinates to the metal centre in an N,N',N'',S-tetradentate manner via the pyridine N atom, an imine N atom, the hydrazinide N atom and the sulfanidyl S atom, displaying a square-planar geometry. Ligand coordination results in two five-membered chelate rings and one six-membered chelate ring, and in crystal packing based on N-H...N hydrogen bonds of the cyanohydrazinide and hydrazinecarbothioamidate arms of the ligand. The correlation between the partial conversion upon metal complexation, H2S release and possible effects on the activity of bis(thiosemicarbazone)s as drug prototypes for Alzheimer's disease is also discussed. PMID:26044321

  12. Characterization of the anticancer effects of S115, a novel heteroaromatic thiosemicarbazone compound, in vitro and in vivo

    PubMed Central

    Liu, Min-yu; Xiao, Lin; Dong, Yu-qiong; Liu, Ying; Cai, Li; Xiong, Wei-xia; Yao, Yu-long; Yin, Ming; Liu, Quan-hai

    2014-01-01

    Aim: To investigate the anticancer effects of S115, a novel heteroaromatic thiosemicarbazone compound in vitro and in vivo. Methods: The anti-proliferative action of S115 was analyzed in 12 human and mouse cancer cell lines using MTT assay. Autograft and xenograft cancer models were made by subcutaneous inoculation of cancer cells into mice or nude mice. The mice were orally treated with S115 (2, 8, 32 mg·kg?1·d?1) for 7 d, and the tumor size was measured every 3 d. Cell apoptosis and cell cycle distribution were examined using flow cytometry, gene expression profile analyses, Western blots and RT-PCR. Results: The IC50 values of S115 against 12 human and mouse cancer cell lines ranged from 0.3 to 6.6 ?mol/L. The tumor growth inhibition rate caused by oral administration of S115 (32 mg·kg?1·d?1) were 89.7%, 81.7%, 78.4% and 77.8%, respectively, in mouse model of B16 melanoma, mouse model of Colon26 colon cancer, nude mouse model of A549 lung cancer and nude mouse model of SK-OV-3 ovarian cancer. Furthermore, oral administration of S115 (7.5 mg·kg?1·d?1) synergistically enhanced the anticancer effects of cyclophosphamide, cisplatin, or 5-fluorouracil in mouse model of S180 sarcoma. Treatment of A549 human lung cancer cells with S115 (1.5 ?mol/L) induced G0/G1 cell cycle arrest, and increased apoptosis. Furthermore, S115 downregulated the level of ubiquitin, and upregulated the level of Tob2 in A549 cells. Conclusion: S115 exerts anticancer effects against a variety of cancer cells in vitro and in grafted cancer models by inducing apoptosis, downregulating ubiquitin and upregulating Tob2. PMID:25220642

  13. Synthesis and anticandidal activity of some imidazopyridine derivatives.

    PubMed

    Kaplancikli, Zafer Asim; Turan-Zitouni, Gülhan; Ozdemir, Ahmet; Revial, Gilbert

    2008-12-01

    New hydrazide derivatives of imidazo[1,2-a]pyridine have been synthesized and evaluated for anticandidal activity. The reaction of imidazo[1,2-a]pyridine-2-carboxylic acid hydrazides with various benzaldehydes gave N-(benzylidene)imidazo[ 1,2-a]pyridine-2-carboxylic acid hydrazide derivatives. Their anticandidal activities against Candida albicans and Candida glabrata (isolates obtained from Osmangazi University, Faculty of Medicine, Eskisehir, Turkey), Candida albicans (ATCC 90028), Candida utilis (NRLL Y-900), Candida tropicalis (NRLL Y-12968), Candida krusei (NRLL Y-7179), Candida zeylanoides (NRLL Y-1774), and Candida parapsilosis (NRLL Y-12696) were investigated. PMID:18608774

  14. (E)-2,4-Dihydroxy­benzaldehyde 4-ethyl­thio­semicarbazone–4,4?-bipyridine–water (4/7/2)

    PubMed Central

    Ng, Seik Weng

    2009-01-01

    The asymmetric unit of the title compound, 7C10H8N2·4C10H13N3O2S·2H2O, contains two independent 2,4-hydroxy­benzaldehyde 4-ethyl­thio­semicarbazone mol­ecules, three and a half 4,4?-bipyridine mol­ecules and one water mol­ecule. Two of the 4,4?-bipyridine mol­ecules lie on general positions and the other three on centers of inversion. The two 4,4?-bipyridine mol­ecules on general positions and one of the three on special positions are disordered over two positions each with an occupancy of 0.50. The –NH—C(=S)—NH—NC fragment is close to planar in the two 2,4-hydroxy­benzaldehyde 4-ethyl­thio­semicarbazone mol­ecules (r.m.s. deviations = 0.04 and 0.05?Å). In the crystal, the Schiff base, N-heterocycle and water mol­ecules engage in O—H?O, O—H?N and N—H?O hydrogen-bonding inter­actions, generating a layer structure. PMID:21577541

  15. Metformin induces an intracellular reductive state that protects oesophageal squamous cell carcinoma cells against cisplatin but not copper-bis(thiosemicarbazones)

    PubMed Central

    2014-01-01

    Background Oesophageal squamous cell carcinoma (OSCC) is a highly aggressive carcinoma with a poor survival rate. One of the most commonly used chemotherapeutic drugs, cisplatin, displays varied and often poor efficacy in vivo. Therefore, alternative, cost-effective and more efficacious treatments are required. Metformin has been previously shown to reduce proliferative rates in various carcinoma cell lines. We report for the first time, the effect of metformin on OSCC cell proliferation and show that it antagonises cisplatin-induced but not copper-bis(thiosemicarbazone)-induced cytotoxicity in OSCC cells. Methods Cell proliferation and stage of the cell cycle were quantified by trypan blue counts and flow cytometry, respectively. All cytotoxicity measurements were made using the tetrazolium based MTT assay. Metabolic alterations to cells were determined as follows: glycolysis via a lactate dehydrogenase assay, reducing equivalents by MTT reduction and reduced intracellular thiols by monobromobimane-thiol fluorescence, and glutathione depletion using buthionine sulfoximine. Inductively coupled plasma mass spectrometry was used to quantify cisplatin-DNA adduct formation. Results Metformin was found to reduce cell proliferation significantly in all OSCC cell lines, with an accumulation of cells in G0/G1 phase of the cell cycle. However, metformin significantly protected OSCC cells against cisplatin toxicity. Our results indicate that a major mechanism of metformin-induced cisplatin resistance results from a significant increase in glycolysis, intracellular NAD(P)H levels with a concomitant increase in reduced intracellular thiols, leading to decreased cisplatin-DNA adduct formation. The glutathione synthesis inhibitor buthionine sulfoximine significantly ablated the protective effect of metformin. We subsequently show that the copper-bis(thiosemicarbazones), Cu-ATSM and Cu-GTSM, which are trapped in cells under reducing conditions, cause significant OSCC cytotoxicity, both alone and in combination with metformin. Conclusions This is the first study showing that metformin can be used to decrease cell proliferation in OSCC cells. However, metformin protects against cisplatin cytotoxicity by inducing a reducing intracellular environment leading to lower cisplatin-DNA adduct formation. As such, we advise that caution be used when administering cisplatin to diabetic patients treated with metformin. Furthermore, we propose a novel combination therapy approach for OSCC that utilises metformin with metformin-compatible cytotoxic agents, such as the copper-bis(thiosemicarbazones), Cu-ATSM and Cu-GTSM. PMID:24886082

  16. Asymmetric aldol reactions between acetone and benzaldehydes catalyzed by chiral Zn2+ complexes of aminoacyl 1,4,7,10-tetraazacyclododecane: fine-tuning of the amino-acid side chains and a revised reaction mechanism.

    PubMed

    Itoh, Susumu; Tokunaga, Takuya; Sonoike, Shotaro; Kitamura, Masanori; Yamano, Akihito; Aoki, Shin

    2013-09-01

    We previously reported that chiral Zn(2+) complexes that were designed to mimic the actions of class-I and class-II aldolases catalyzed the enantioselective aldol reactions of acetone and its analogues thereof with benzaldehyde derivatives. Herein, we report the synthesis of new chiral Zn(2+) complexes that contain Zn(2+)-tetraazacyclododecane (Zn(2+)-[12]aneN4) moieties and amino acids that contain aliphatic, aromatic, anionic, cationic, and dipeptide side chains. The chemical and optical yields of the aldol reaction were improved (up to 96?% ee) by using ZnL complexes of L-decanylglycyl-pendant [12]aneN4 (L-ZnL(7)), L-naphthylalanyl-pendant [12]aneN4 (L-ZnL(10)), L-biphenylalanyl-pendant [12]aneN4 (L-ZnL(11)), and L-phenylethylglycyl-pendant [12]aneN4 ligands (L-ZnL(12)). UV/Vis and circular dichroism (CD) titrations of acetylacetone (acac) with ZnL complexes confirmed that a ZnL-(acac)(-) complex was exclusively formed and not the enaminone of ZnL and acac, as we had previously proposed. Moreover, the results of stopped-flow experiments indicated that the complexation of (acac)(-) with ZnL was complete within milliseconds, whereas the formation of an enaminone required several hours. X-ray crystal-structure analysis of L-ZnL(10) and the ZnL complex of L-diphenylalanyl-pendant [12]aneN4 (L-ZnL(13)) shows that the NH2 groups of the amino-acid side chains of these ligands are coordinated to the Zn(2+) center as the fourth coordination site, in addition to three nitrogen atoms of the [12]aneN4 rings. The reaction mechanism of these aldol reactions is discussed and some corrections are made to our previous mechanistic hypothesis. PMID:23780779

  17. OZONE REACTION WITH N-ALDEHYDES (N=4-10), BENZALDEHYDE, ETHANOL, ISOPROPANOL, AND N-PROPANOL ADSORBED ON A DUAL-BED GRAPHITIZED CARBON/CARBON MOLECULAR SIEVE ADSORBENT CARTRIDGE

    EPA Science Inventory

    Ozone reacts with n-aldehydes (n = 4 - 10), benzaldehyde, ethanol, isopropanol, and n-propanol adsorbed on a dual-bed graphitized carbon/carbon molecular sieve adsorbent cartridge. Destruction of n-aldehydes increases with n number and with ozone concentration. In some samp...

  18. Synthesis, Spectroscopic and Polarographic Studies of Dibutyltin(IV) Complexes of Schiff Bases Derived from 2Aminophenol

    Microsoft Academic Search

    Mala Nath; Nidhee Chaudhary

    1998-01-01

    A series of dibutyltin(IV) complexes of Schiff bases derived from 2-minophenol and benzaldehyde (HL), anisaldehyde (HL), 2-furfural (HL), acetophenone (HL), benzylmethyl ketone (HL), benzil (HL), salicylaldehyde (H2L), 2-hydroxy-l-naphthaldehyde (H2L) and 2-hydroxy-acetophenone (H2L) have been synthesized by the reaction of dibutyltin(IV) oxide with the preformed Schiff bases in 1:l or 1:2 molar ratios in benzene with azeotropical removal of water. The

  19. 3-hydroxy-3-phenylpropanoic acid is an intermediate in the biosynthesis of benzoic acid and salicylic acid but benzaldehyde is not.

    PubMed

    Jarvis, A P; Schaaf, O; Oldham, N J

    2000-12-01

    Stable-isotope-labelled (2H6, 18O) 3-hydroxy-3-phenylpropanoic acid, a putative intermediate in the biosynthesis of benzoic acid (BA) and salicylic acid (SA) from cinnamic acid, has been synthesized and administered to cucumber (Cucumis sativus L.) and Nicotiana attenuata (Torrey). Analysis of the products by gas chromatography-mass spectrometry revealed incorporation of labelling into BA and SA, but not into benzaldehyde. In a separate experiment, 3-hydroxy-3-phenylpropanoic acid was found to be a metabolite of phenylalanine, itself the primary metabolic precursor of BA and SA. These data suggest that cinnamic acid chain shortening is probably achieved by beta-oxidation, and that the proposed "non-oxidative" pathway of side-chain degradation does not function in the biosynthesis of BA and SA, in cucumber and N. attenuata. PMID:11219576

  20. High efficient photocatalytic selective oxidation of benzyl alcohol to benzaldehyde by solvothermal-synthesized ZnIn{sub 2}S{sub 4} microspheres under visible light irradiation

    SciTech Connect

    Chen, Zhixin, E-mail: czx@fzu.edu.cn [State Key Laboratory Breeding Base of Photocatalysis, College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou 350002 (China); Instrumental Measurement and Analysis Center, Fuzhou University, Fuzhou 350002 (China); Xu, Jingjing; Ren, Zhuyun [State Key Laboratory Breeding Base of Photocatalysis, College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou 350002 (China); He, Yunhui; Xiao, Guangcan [State Key Laboratory Breeding Base of Photocatalysis, College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou 350002 (China); Instrumental Measurement and Analysis Center, Fuzhou University, Fuzhou 350002 (China)

    2013-09-15

    Hexagonal ZnIn{sub 2}S{sub 4} samples have been synthesized by a solvothermal method. Their properties have been determined by X-ray diffraction, ultraviolet–visible-light diffuse reflectance spectra, field emission scanning electron microscopy, nitrogen adsorption–desorption and X-ray photoelectron spectra. These results demonstrate that ethanol solvent has significant influence on the morphology, optical and electronic nature for such marigold-like ZnIn{sub 2}S{sub 4} microspheres. The visible light photocatalytic activities of the ZnIn{sub 2}S{sub 4} have been evaluated by selective oxidation of benzyl alcohol to benzaldehyde using molecular oxygen as oxidant. The results show that 100% conversion along with >99% selectivity are reached over ZnIn{sub 2}S{sub 4} prepared in ethanol solvent under visible light irradiation (?>420 nm) of 2 h, but only 58% conversion and 57% yield are reached over ZnIn{sub 2}S{sub 4} prepared in aqueous solvent. A possible mechanism of the high photocatalytic activity for selective oxidation of benzyl alcohol over ZnIn{sub 2}S{sub 4} is proposed and discussed. - Graphical abstract: Marigold-like ZnIn{sub 2}S{sub 4} microspheres were synthesized by a solvothermal method. The high visible photocatalytic activities of ZnIn{sub 2}S{sub 4} were evaluated by selective oxidation of benzyl alcohol to benzaldehyde under mild conditions. Display Omitted - Highlights: • Marigold-like ZnIn{sub 2}S{sub 4} microspheres were synthesized by a solvothermal method. • The solvents have a remarkably influence on the morphology and properties of samples. • It is the first time to apply ZnIn{sub 2}S{sub 4} for selective oxidation of benzyl alcohol. • ZnIn{sub 2}S{sub 4} shows high photocatalytic activity for selective oxidation of benzyl alcohol.

  1. Structure-activity relationship study of phenylpyrazole derivatives as a novel class of anti-HIV agents.

    PubMed

    Mizuhara, Tsukasa; Kato, Takayuki; Hirai, Atsushi; Kurihara, Hideki; Shimada, Yasuhiro; Taniguchi, Masahiko; Maeta, Hideki; Togami, Hiroaki; Shimura, Kazuya; Matsuoka, Masao; Okazaki, Shiho; Takeuchi, Tomoki; Ohno, Hiroaki; Oishi, Shinya; Fujii, Nobutaka

    2013-08-15

    The structure-activity relationship of phenylpyrazole derivative 1 was investigated for the development of novel anti-HIV agents. Initial efforts revealed that the diazenyl group can be replaced by an aminomethylene group. In addition, we synthesized various derivatives by the reductive amination of benzaldehydes with 5-aminopyrazoles and carried out parallel structural optimization on the benzyl group and the pyrazole ring. This optimization led to a six-fold more potent derivative 32j than the lead compound 1, and this derivative has a 3',4'-dichloro-(1,1'-biphenyl)-3-yl group. PMID:23845222

  2. Synthesis of Naphthalenes through Three-Component Coupling of Alkynes, Fischer Carbene Complexes, and Benzaldehyde Hydrazones via Isoindole Intermediates

    PubMed Central

    Duan, Shaofeng; Sinha-Mahapatra, Dilip K.; Herndon, James W.

    2008-01-01

    The synthesis of naphthalene derivatives through three-component coupling of 2-alkynylbenzaldehyde hydrazones with carbene complexes and electron-deficient alkynes has been examined. The reaction involves formation of an isoindole derivative, followed by intramolecular Diels–Alder reaction, followed by nitrene extrusion. The reaction was highly regioselective using unsymmetrical alkynes. PMID:18351767

  3. Cytotoxic evaluation of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone in peripheral blood lymphocytes of patients with refractory solid tumors using electron paramagnetic resonance

    PubMed Central

    KOLESAR, JILL M.; SACHIDANANDAM, KAMAKSHI; SCHELMAN, WILLIAM R.; EICKHOFF, JENS; HOLEN, KYLE D.; TRAYNOR, ANNE M.; ALBERTI, DONA B.; THOMAS, JAMES P.; CHITAMBAR, CHRISTOPHER R.; WILDING, GEORGE; ANTHOLINE, WILLIAM E.

    2011-01-01

    3-Aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP) is a metal chelator that potently inhibits the enzyme ribonucleotide reductase (RR), which plays a key role in cell division and tumor progression. A subunit of RR has a non-heme iron and a tyrosine-free radical, which are required for the enzymatic reduction of ribonucleotides to deoxyribonucleotides. The objective of the present study was to determine whether 3-AP affects its targeted action by measuring electron paramagnetic resonance (EPR) signals formed either directly or indirectly from low molecular weight ferric-3-AP chelates. Peripheral blood lymphocytes were collected from patients with refractory solid tumors at baseline and at 2, 4.5 and 22 h after 3-AP administration. Using EPR spectra, our study identified signals from high-spin Fe-transferrin, high-spin heme and low-spin iron or copper ions. An increase in the Fe-transferrin signal was observed, suggesting blockage of Fe uptake. It is hypothesized that formation of reactive oxygen species by FeT2 or CuT damages the transferrin or the transferrin receptor. An increase in the heme signal was also observed, which was a probable source of cytochrome c release from the mitochondria and potential apoptosis. In addition, increased levels of Fe and Cu were identified. These results, which were consistent with our previous study validating 3-AP-mediated signals by EPR, provide valuable insights into the in vivo mechanism of action of 3-AP. PMID:21373381

  4. Cytotoxic Evaluation of 3-Aminopyridine-2-Carboxaldehyde Thiosemicarbazone, 3-AP, in Peripheral Blood Lymphocytes of Patients with Refractory Solid Tumors using Electron Paramagnetic Resonance.

    PubMed

    Kolesar, Jill M; Sachidanandam, Kamakshi; Schelman, William R; Eickhoff, Jens; Holen, Kyle D; Traynor, Anne M; Alberti, Dona B; Thomas, James P; Chitambar, Christopher R; Wilding, George; Antholine, William E

    2011-01-01

    PURPOSE: 3-AP (3-aminopyridine-2-carboxaldehyde thiosemicarbazone, 3-AP) is a metal chelator that potently inhibits the enzyme ribonucleotide reductase, RR, which plays a key role in cell division and tumor progression. A sub-unit of RR has a non-heme iron and a tyrosine free radical, which are required for the enzymatic reduction of ribonucleotides to deoxyribonucleotides. The objective of the study was to determine whether 3-AP affects its targeted action by measuring EPR signals formed either directly or indirectly from low molecular weight ferric-3-AP chelates. METHODS: Peripheral blood lymphocytes were collected from patients with refractory solid tumors at baseline and at 2, 4.5 and 22 hours after 3-AP administration. EPR spectra were used to identify signals from high-spin Fe-transferrin, high-spin heme and low-spin iron or copper ions. RESULTS: An increase in Fe-transferrin signal was observed, suggesting blockage of Fe uptake. It is hypothesized that formation of reactive oxygen species by FeT(2) or CuT damage transferrin or the transferrin receptor. An increase in heme signal was also observed, which is a probable source of cytochrome c release from the mitochondria and potential apoptosis. In addition, increased levels of Fe and Cu were identified. CONCLUSION: These results, which were consistent with our earlier study validating 3-AP-mediated signals by EPR, provide valuable insights into the in vivo mechanism of action of 3-AP. PMID:21373381

  5. Computational study of the vibrational spectroscopic studies, natural bond orbital, frontier molecular orbital and second-order non-linear optical properties of acetophenone thiosemicarbazone molecule.

    PubMed

    Li, Xiao-Hong; Mei, Zheng; Zhang, Xian-Zhou

    2014-01-24

    The vibrational frequencies of acetophenone thiosemicarbazone in the ground state have been calculated using density functional method (B3LYP) with 6-31G(d), 6-31G(d,p) and 6-311++G(d,p) basis sets. The analysis of natural bond orbital was also performed. The IR spectra were obtained and interpreted by means of potential energies distributions (PEDs) using MOLVIB program. In addition, the results show that there exist N-H…N and N-H…S hydrogen bonds in the title compound, which play a major role in stabilizing the molecule and are confirmed by the natural bond orbital analysis. The predicted NLO properties show that the title compound is a good candidate as second-order NLO material. In addition, the frontier molecular orbitals were analyzed and the crystal structure obtained by molecular mechanics belongs to the Pbca space group, with lattice parameters Z=8, a=16.0735 Å, b=7.1719 Å, c=7.8725 Å, ?=0.808 g/cm(3). PMID:24084483

  6. Spectroscopic (FT-IR, FT-Raman) and quantum mechanical studies of 3t-pentyl-2r,6c-diphenylpiperidin-4-one thiosemicarbazone.

    PubMed

    Savithiri, S; Arockia doss, M; Rajarajan, G; Thanikachalam, V; Bharanidharan, S; Saleem, H

    2015-02-01

    In this study, the molecular structure and vibrational spectra of 3t-pentyl2r,6c-diphenylpiperidin-4-one thiosemicarbazone (PDPOTSC) were studied. The ground-state molecular geometry was ascertained by using the density functional theory (DFT)/B3LYP method using 6-31++G(d,p) as a basis set. The vibrational (FT-IR and FT-Raman) spectra of PDPOTSC were computed using DFT/B3LYP and HF methods with 6-31++G(d,p) basis set. The fundamental vibrations were assigned on the basis of the total energy distribution (TED?10%) of the vibrational modes, calculated with scaled quantum mechanics (SQM) methods PQS program. The electrical dipole moment (?) and first hyperpolarizability (?o) values have been computed using DFT/B3LYP and HF methods. The calculated result (?o) shows that the title molecule might have nonlinear optical (NLO) behavior. Atomic charges of C, N, S and molecular electrostatic potential (MEP) were calculated using B3LYP/6-31G++(d,p). The HOMO-LUMO energies were calculated and natural bonding orbital (NBO) analysis has also been carried out. PMID:25448976

  7. Spectroscopic (FT-IR, FT-Raman) and quantum mechanical studies of 3t-pentyl-2r,6c-diphenylpiperidin-4-one thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Savithiri, S.; Arockia doss, M.; Rajarajan, G.; Thanikachalam, V.; Bharanidharan, S.; Saleem, H.

    2015-02-01

    In this study, the molecular structure and vibrational spectra of 3t-pentyl2r,6c-diphenylpiperidin-4-one thiosemicarbazone (PDPOTSC) were studied. The ground-state molecular geometry was ascertained by using the density functional theory (DFT)/B3LYP method using 6-31++G(d,p) as a basis set. The vibrational (FT-IR and FT-Raman) spectra of PDPOTSC were computed using DFT/B3LYP and HF methods with 6-31++G(d,p) basis set. The fundamental vibrations were assigned on the basis of the total energy distribution (TED ? 10%) of the vibrational modes, calculated with scaled quantum mechanics (SQM) methods PQS program. The electrical dipole moment (?) and first hyperpolarizability (?o) values have been computed using DFT/B3LYP and HF methods. The calculated result (?o) shows that the title molecule might have nonlinear optical (NLO) behavior. Atomic charges of C, N, S and molecular electrostatic potential (MEP) were calculated using B3LYP/6-31G++(d,p). The HOMO-LUMO energies were calculated and natural bonding orbital (NBO) analysis has also been carried out.

  8. Halo-substituted thiosemicarbazones and their copper(II), nickel(II) complexes: Detailed spectroscopic characterization and study of antitumour activity against HepG2 human hepatoblastoma cells

    NASA Astrophysics Data System (ADS)

    Jagadeesh, M.; Kalangi, Suresh K.; Sivarama Krishna, L.; Reddy, A. Varada

    2014-01-01

    Copper(II) and nickel(II) complexes of two different halogen substituted thiosemicarbazone ligands were synthesized. The ligands 3,4-difluoroacetophenone thiosemicarbazone (1) and 2-bromo-4'-chloroacetophenone thiosemicarbazone (2) were characterized and confirmed spectroscopically by FT-IR, FT-Raman, UV-vis and fluorescence spectral analysis, while the respective copper(II) complexes [Cu(C9H9N3F2S)2Cl2] (1a), [Cu(C9H9N3ClBrS)2Cl2] (2a) and nickel(II) complexes [Ni(C9H9N3F2S)2] (1b), [Ni(C9H9N3ClBrS)2] (2b) were characterized by FT-IR, UV-vis and electron paramagnetic spectroscopy (EPR). The EPR spectra of the Cu(II) complexes provided the rhombic octahedral and axial symmetry of the complexes 1a and 2a respectively. For the complex 1a, the g values calculated as g1 = 2.1228, g2 = 2.0706 and g3 = 2.001 between 2900 and 3300 G. While for the complex 2a, a set of two resonance absorptions were observed. The synthesized compounds were tested for antitumor activity and showed that the ability to kill liver cancer cells significantly. Out of all the synthesized compounds, copper(II) complexes 1a and 2a showed high cytotoxic effect on liver cancer cells with 67.51% and 42.77% of cytotoxicity respectively at 100 ?M.

  9. Solvent-dependent mixed complex formation-NMR studies and asymmetric addition reactions of lithioacetonitrile to benzaldehyde mediated by chiral lithium amides.

    PubMed

    Sott, Richard; Granander, Johan; Hilmersson, Göran

    2002-05-01

    Lithioacetonitrile and a chiral lithium amide with an internally coordinating methoxy group form mixed dimers in diethyl ether (DEE) and in tetrahydrofuran (THF) according to NMR studies. Based on the observed (6)Li,(1)H heteronuclear Overhauser effects, in THF lithioacetonitrile is present in a mixed complex with the chiral lithium amide, and this complex has a central N-Li-N-Li core. In DEE, on the other hand, the acetonitrile anion bridges two lithiums of the dimer to form a central six-membered Li-N-C-C-Li-N ring. Gauge individual atomic orbital DFT calculations of the (13)C NMR chemical shifts of the DEE- and THF-solvated mixed dimers show good agreement with those obtained experimentally. Lithioacetonitrile complexed to the chiral lithium amide has been employed in asymmetric addition to benzaldehyde in both DEE and THF. In THF the product, (S)-3-phenyl-3-hydroxy propionitrile, is formed in 55 % ee and in DEE the R enantiomer is formed in 45 % ee. This change in stereoselectivity between solutions in DEE and THF was found to be general among a number of different chiral lithium amides, all with an internal chelating methoxy group. PMID:11981893

  10. Synthesis and antifungal activity of new hydrazide derivatives.

    PubMed

    Turan-Zitouni, Gülhan; Alt?ntop, Mehlika Dilek; Özdemir, Ahmet; Demirci, Fatih; Abu Mohsen, Usama; Kaplanc?kl?, Zafer As?m

    2013-12-01

    In this study, nine new hydrazide derivatives were synthesized. The reaction of 2-[(5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetohydrazide with various benzaldehydes or acetophenones resulted in N'-substituted-2-[(5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetohydrazide derivatives. The structure elucidation of the synthesized and purified compounds was performed by using IR, (1)H-NMR, and FAB(+)-MS spectral data and elemental analyses, respectively. Furthermore, the compounds were screened and evaluated for their antifungal activity against a panel of different human pathogenic Candida strains such as C. albicans, C. glabrata, C. utilis, C. tropicalis, C. krusei, C. zeylanoides and C. parapsilosis using agar diffusion and broth microdilution assays, respectively. Some of the tested compounds showed comparable antifungal activity (MIC = 0.0156->2 mg/mL) with ketoconazole. PMID:23009641

  11. Effects of the aldehyde dehydrogenase inhibitor disulfiram on the plasma pharmacokinetics, metabolism, and toxicity of benzaldehyde dimethane sulfonate (NSC281612, DMS612, BEN) in mice

    PubMed Central

    Parise, Robert A.; Beumer, Jan H.; Clausen, Dana M.; Rigatti, Lora H.; Ziegler, Judy A.; Gasparetto, Maura; Smith, Clayton A; Eiseman, Julie L.

    2013-01-01

    Purpose Benzaldehyde dimethane sulfonate (DMS612, NSC281612, BEN) is an alkylator with activity against renal cell carcinoma, currently in phase I trials. In blood, BEN is rapidly metabolized into its highly reactive carboxylic acid (BA), presumably the predominant alkylating species. We hypothesized that BEN is metabolized to BA by aldehyde dehydrogenase (ALDH) and aimed to increase BEN exposure in blood and tissues by inhibiting ALDH with disulfiram thereby shifting BA production from blood to tissues. Methods Female CD2F1 mice were dosed with 20 mg/kg BEN iv alone or 24 h after 300 mg/kg disulfiram ip. BEN, BA and metabolites were quantitated in plasma and urine, and toxicities were assessed. Results BEN had a plasma t½ <5 min and produced at least 12 products. The metabolite half-lives were <136 min. Disulfiram increased BEN plasma exposure 368-fold, (AUC0-inf from 0.11 to 40.5 mg/L•min), while plasma levels of BA remained similar. Urinary BEN excretion increased (1.0% to 1.5% of dose) while BA excretion was unchanged. Hematocrit, white blood cells counts and %lymphocytes decreased after BEN administration. Co-administration of disulfiram appeared to enhance these effects. Profound liver pathology was observed in mice treated with disulfiram and BEN. Conclusions BEN plasma concentrations increased after administration of disulfiram, suggesting that ALDH mediates the rapid metabolism of BEN in vivo, which may explain the increased toxicity seen with BEN after administration of disulfiram. Our results suggest that the co-administration of BEN with drugs that inhibit ALDH or to patients that are ALDH deficient may cause liver damage. PMID:24061865

  12. Core-Shell Structural CdS@SnO2 Nanorods with Excellent Visible-Light Photocatalytic Activity for the Selective Oxidation of Benzyl Alcohol to Benzaldehyde.

    PubMed

    Liu, Ya; Zhang, Ping; Tian, Baozhu; Zhang, Jinlong

    2015-07-01

    Core-shell structural CdS@SnO2 nanorods (NRs) were fabricated by synthesizing SnO2 nanoparticles with a solvent-assisted interfacial reaction and further anchoring them on the surface of CdS NRs under ultrasonic stirring. The morphology, composition, and microstructures of the obtained samples were characterized by field-emission scanning electron microscopy, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and nitrogen adsorption-desorption. It was found that SnO2 nanoparticles can be tightly anchored on the surface of CdS NRs, and the thickness of SnO2 shells can be conveniently adjusted by simply changing the addition amount of SnO2 quantum dots. UV-vis diffuse reflectance spectrum indicated that SnO2 shell layer also can enhance the visible light absorption of CdS NRs to a certain extent. The results of transient photocurrents and photoluminescence spectra revealed that the core-shell structure can effectively promote the separation rate of electron-hole pairs and prolong the lifetime of electrons. Compared with the single CdS NRs, the core-shell structural CdS@SnO2 exhibited a remarkably enhanced photocatalytic activity for selective oxidation of benzyl alcohol (BA) to benzaldehyde (BAD) under visible light irradiation, attributed to the more efficient separation of electrons and holes, improved surface area, and enhanced visible light absorption of core-shell structure. The radical scavenging experiments proved that in acetonitrile solution, ·O2- and holes are the main reactive species responsible for BA to BAD transformation, and the lack of ·OH radicals is favorable to obtaining high reaction selectivity. PMID:26057028

  13. Uptake of compounds that selectively kill multidrug-resistant cells: the copper transporter SLC31A1 (CTR1) increases cellular accumulation of the thiosemicarbazone NSC73306.

    PubMed

    Fung, King Leung; Tepede, Abisola K; Pluchino, Kristen M; Pouliot, Lynn M; Pixley, Jessica N; Hall, Matthew D; Gottesman, Michael M

    2014-08-01

    Acquired drug resistance in cancer continues to be a challenge in cancer therapy, in part due to overexpression of the drug efflux transporter P-glycoprotein (P-gp, MDR1, ABCB1). NSC73306 is a thiosemicarbazone compound that displays greater toxicity against cells expressing functional P-gp than against other cells. Here, we investigate the cellular uptake of NSC73306, and examine its interaction with P-gp and copper transporter 1 (CTR1, SLC31A1). Overexpression of P-gp sensitizes LLC-PK1 cells to NSC73306. Cisplatin (IC50 = 77 ?M), cyclosporin A (IC50 = 500 ?M), and verapamil (IC50 = 700 ?M) inhibited cellular accumulation of [(3)H]NSC73306. Cellular hypertoxicity of NSC73306 to P-gp-expressing cells was inhibited by cisplatin in a dose-dependent manner. Cells transiently expressing the cisplatin uptake transporter CTR1 (SLC31A1) showed increased [(3)H]NSC73306 accumulation. In contrast, CTR1 knockdown decreased [(3)H]NSC73306 accumulation. The presence of NSC73306 reduced CTR1 levels, similar to the negative feedback of CTR1 levels by copper or cisplatin. Surprisingly, although cisplatin is a substrate of CTR1, we found that CTR1 protein was overexpressed in high-level cisplatin-resistant KB-CP20 and BEL7404-CP20 cell lines. We confirmed that the CTR1 protein was functional, as uptake of NSC73306 was increased in KB-CP20 cells compared to their drug-sensitive parental cells, and downregulation of CTR1 in KB-CP20 cells reduced [(3)H]NSC73306 accumulation. These results suggest that NSC73306 is a transport substrate of CTR1. PMID:24800945

  14. A phase 2 consortium (P2C) trial of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP) for advanced adenocarcinoma of the pancreas

    PubMed Central

    Attia, Steven; Kolesar, Jill; Mahoney, Michelle R.; Pitot, Henry C.; Laheru, Daniel; Heun, James; Huang, Wei; Eickhoff, Jens; Erlichman, Charles

    2015-01-01

    Summary 3-Aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP, Triapine®) is a novel small molecule inhibitor of ribonucleotide reductase (RR) with clinical signs of activity in pancreatic cancer. Therefore, the Phase 2 Consortium (P2C) initiated a trial (two single stage studies with planned interim analysis) of 3-AP at 96 mg/m2 intravenously days 1–4 and 15–18 of a 28-day cycle in both chemotherapy-naive and gemcitabine-refractory (GR) patients with advanced pancreatic cancer. The primary endpoint was survival at six months (chemotherapy-naive) and four months (GR). Secondary endpoints were toxicity, response, overall survival, time to progression and mechanistic studies. Fifteen patients were enrolled including one chemotherapy-naïve and 14 GR. The chemotherapy-naïve patient progressed during cycle 1 with grade 3 and 4 toxicities. Of 14 GR patients, seven received two cycles, six received one cycle and one received eight cycles. Progression precluded further treatment in 11 GR patients. Additionally, one died of an ileus in cycle 1 considered related to treatment and two stopped treatment due to toxicity. Five GR patients had grade 4 toxicities possibly related to 3-AP and six GR patients had grade 3 fatigue. Toxicities and lack of meaningful clinical benefit prompted early study closure. Four-month survival in GR patients was 21% (95% CI: 8–58%). Correlative studies confirmed that 3-AP increased the percentage of S-phase buccal mucosal cells, the presence of multidrug resistance gene polymorphisms appeared to predict leukopenia, and baseline pancreatic tumor RR M2 expression was low relative to other tumors treated with 3-AP. In conclusion, this regimen appears inactive against predominantly GR pancreatic cancer. RR M2 protein may not have a critical role in the malignant potential of pancreatic cancer. PMID:18278438

  15. Exploring the anti-cancer activity of novel thiosemicarbazones generated through the combination of retro-fragments: dissection of critical structure-activity relationships.

    PubMed

    Serda, Maciej; Kalinowski, Danuta S; Rasko, Nathalie; Pot??ková, Eliška; Mrozek-Wilczkiewicz, Anna; Musiol, Robert; Ma?ecki, Jan G; Sajewicz, Mieczys?aw; Ratuszna, Alicja; Muchowicz, Angelika; Go??b, Jakub; Sim?nek, Tomáš; Richardson, Des R; Polanski, Jaroslaw

    2014-01-01

    Thiosemicarbazones (TSCs) are an interesting class of ligands that show a diverse range of biological activity, including anti-fungal, anti-viral and anti-cancer effects. Our previous studies have demonstrated the potent in vivo anti-tumor activity of novel TSCs and their ability to overcome resistance to clinically used chemotherapeutics. In the current study, 35 novel TSCs of 6 different classes were designed using a combination of retro-fragments that appear in other TSCs. Additionally, di-substitution at the terminal N4 atom, which was previously identified to be critical for potent anti-cancer activity, was preserved through the incorporation of an N4-based piperazine or morpholine ring. The anti-proliferative activity of the novel TSCs were examined in a variety of cancer and normal cell-types. In particular, compounds 1d and 3c demonstrated the greatest promise as anti-cancer agents with potent and selective anti-proliferative activity. Structure-activity relationship studies revealed that the chelators that utilized "soft" donor atoms, such as nitrogen and sulfur, resulted in potent anti-cancer activity. Indeed, the N,N,S donor atom set was crucial for the formation of redox active iron complexes that were able to mediate the oxidation of ascorbate. This further highlights the important role of reactive oxygen species generation in mediating potent anti-cancer activity. Significantly, this study identified the potent and selective anti-cancer activity of 1d and 3c that warrants further examination. PMID:25329549

  16. Targeting Estrogen Receptor Sites in Human Breast Cancer Cell Line T47D With Copper Conjugates of Nonsteriodal Anti-inflammatory Drug Derivatives: Antiproliferative Activity of Ketoprofen Derivative and its Copper Complex

    PubMed Central

    Saha, Dilip Kumar; Padhye, Shreelekha

    2001-01-01

    A square planar copper complex of derivatized NSAID drug (Ketoprofen thiosemicarbazone [3-benzoyl-?-methyl benzene acetic acid thiosemicarbazone]), is characterized by elemental analysis, spectroscopy, electrochemistry and magnetic susceptibility studies which exhibits dose-dependent and enhanced antiproliferative effects on human breast cancer cell line T47D rich in progesterone receptors. PMID:18475978

  17. New approaches for the synthesis of thiophene derivatives with anti-tumor activities.

    PubMed

    Mohareb, Rafat M; Abbas, Nermeen S; Ibrahim, Rehab A

    2013-01-01

    The reaction of either cyclohexanone or cyclopentanone with cyanoacetylhydrazine and elemental sulfur gave the 2-aminocycloalkeno[b]thiophene derivatives 3a and 3b, respectively. The latter compounds reacted with either aromatic benzaldehydes or active methylene reagents to give the Schiff's bases 5a-d and the pyrazole derivatives 7a-d and 9a-d, respectively. On the other hand, the reaction of 3-oxo-N-p-tolylbutanamide (10) with either of malononitrile or ethyl cyanoacetate gave the thiophene derivatives 13a and 13b, respectively. Compounds 13a,b were subjected to a series of heterocyclization reactions to give heterocyclic derivatives. Their cytotoxicity against the three human tumor cells lines, namely breast adenocarcinoma (MCF-7), non-small cell lung cancer (NCI-H460) and CNS cancer (SF-268) together against the normal human cell line namely the normal fibroblast cells WI 38 were measured. PMID:24169713

  18. Determination of human serum semicarbazide-sensitive amine oxidase activity via flow injection analysis with fluorescence detection after online derivatization of the enzymatically produced benzaldehyde with 1,2-diaminoanthraquinone.

    PubMed

    El-Maghrabey, Mahmoud H; Kishikawa, Naoya; Ohyama, Kaname; Imazato, Takahiro; Ueki, Yukitaka; Kuroda, Naotaka

    2015-06-30

    A fast, simple, and sensitive flow injection analysis method was developed for the measurement of semicarbazide-sensitive amine oxidase (SSAO) activity in human serum. Benzaldehyde, generated by the action of SSAO after incubation of serum with benzylamine, was derivatized with a novel aromatic aldehyde-specific reagent (1,2-diaminoanthraquinone) and the fluorescent product was measured by fluorescence detection at excitation and emission wavelengths of 390 and 570nm, respectively. Serum SSAO activity was defined as benzaldehyde (nmol) formed per milliliter serum per hour. The method was linear over SSAO activity of 0.2-150.0nmolmL(-1)h(-1) with a detection limit of 0.06nmolmL(-1)h(-1). The %RSD of intra-day and inter-day precision did not exceed 9.4% and the accuracy ranged from -6.5 to -0.6%. The method was applied for the determination of the serum SSAO activity in healthy controls (C, n=24) and diabetes mellitus patients (DM, n=18). It was demonstrated that the activity (mean±SE) of SSAO in diabetics sera was significantly higher than that in healthy subjects' ones (DM; 73.3±1.8nmolmL(-1)h(-1)vs C; 58.9±2.2nmolmL(-1)h(-1), P<0.01). PMID:26041530

  19. Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation

    SciTech Connect

    Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Shao, Yihan [Q-Chem, Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588 (United States)

    2014-07-14

    Working within the Tamm-Dancoff approximation, we calculate the derivative couplings between time-dependent density-functional theory excited states by assuming that the Kohn-Sham superposition of singly excited determinants represents a true electronic wavefunction. All Pulay terms are included in our derivative coupling expression. The reasonability of our approach can be established by noting that, for closely separated electronic states in the infinite basis limit, our final expression agrees exactly with the Chernyak-Mukamel expression (with transition densities from response theory). Finally, we also validate our approach empirically by analyzing the behavior of the derivative couplings around the T{sub 1}/T{sub 2} conical intersection of benzaldehyde.

  20. Derivatives Page

    NSDL National Science Digital Library

    Derivatives are financial securities whose value is derived from another "underlying" financial security. Options, futures, swaps, swaptions, and structured notes are all examples of derivative securities. Derivatives can be used in hedging, protecting against financial risk, or can be used to speculate on the movement of commodity or security prices, interest rates, or the levels of financial indices. The valuation of derivatives makes use of the statistical mathematics of uncertainty. With links to related articles. See also Derivatives Concepts A-Z, glossary of derivatives-related terminology designed to make the other articles in the Financial Pipeline's Derivatives section easier to understand.

  1. Thermophysical and thermoacoustical properties of benzaldehyde mixtures with ethylbenzene at 303.15, 308.15, and 313.15 K and a pressure of 0.1 MPa

    NASA Astrophysics Data System (ADS)

    Saravanakumar, K.; Lavanya, T. G.; Baskaran, R.; Kubendran, T. R.

    2012-04-01

    Ultrasound velocity ( u), density (?) and viscosity (?) measurements of benzaldehyde + ethylbenzene mixtures have been carried out at 303.15, 308.15, and 313.15 K. These values have been used to calculate the excess molar volume ( V E), deviation in viscosity (??), and deviation in isentropic compressibility (??s), deviations in ultrasound velocity (? u), excess free volume (? V f), excess intermolecular free length (? L f) and excess Gibbs free energy of activation of viscous flow (? G E). McAllister's three body interaction model is used for correlating kinematic viscosity of binary mixtures. The excess values were correlated using the Redlich-Kister polynomial equation to obtain their coefficients and standard deviations. The thermophysical properties under the study were fit to the Jouyban-Acree model. The observed variation of these parameters helps in understanding the nature of interactions in these mixtures. Further, theoretical values of the ultrasound speed were evaluated using theories and empirical relations.

  2. Antimycobacterial evaluation of novel [4,5-dihydro-1H-pyrazole-1-carbonyl]pyridine derivatives synthesized by microwave-mediated Michael addition.

    PubMed

    Sedighi, Vida; Azerang, Parisa; Sardari, Soroush

    2015-06-01

    The focus of this study is the synthesis and biological activity evaluation of a series of dibenzalaceton derivatives (3a-3n) and novel [4,5-dihydro-1H-pyrazole-1-carbonyl]pyridine derivatives (5a-5g) against Mycobacterium bovis, Bacillus Calmette-Guerin (BCG). Dibenzalacetone derivatives were synthesized by benzaldehyde derivatives. The [4,5-dihydro-1H-pyrazole-1-carbonyl]pyridine derivatives were synthesized by Michael addition reaction and using green chemistry microwave-mediated method. All compounds were evaluated against BCG and the activity expressed as minimum inhibitory concentration (MIC) in ?M. The result showed good activity for all the compounds especially compounds (3a), (3n), and (5a) illustrated high activity (7.03, 8.10 and 5.37??M, respectively). Copyright © 2014 John Wiley & Sons, Ltd. PMID:25219796

  3. Di-2-pyridylketone 4,4-dimethyl-3-thiosemicarbazone (Dp44mT) overcomes multidrug resistance by a novel mechanism involving the hijacking of lysosomal P-glycoprotein (Pgp).

    PubMed

    Jansson, Patric J; Yamagishi, Tetsuo; Arvind, Akanksha; Seebacher, Nicole; Gutierrez, Elaine; Stacy, Alexandra; Maleki, Sanaz; Sharp, Danae; Sahni, Sumit; Richardson, Des R

    2015-04-10

    Multidrug resistance (MDR) is a major obstacle in cancer treatment. More than half of human cancers express multidrug-resistant P-glycoprotein (Pgp), which correlates with a poor prognosis. Intriguingly, through an unknown mechanism, some drugs have greater activity in drug-resistant tumor cells than their drug-sensitive counterparts. Herein, we investigate how the novel anti-tumor agent di-2-pyridylketone 4,4-dimethyl-3-thiosemicarbazone (Dp44mT) overcomes MDR. Four different cell types were utilized to evaluate the effect of Pgp-potentiated lysosomal targeting of drugs to overcome MDR. To assess the mechanism of how Dp44mT overcomes drug resistance, cellular studies utilized Pgp inhibitors, Pgp silencing, lysosomotropic agents, proliferation assays, immunoblotting, a Pgp-ATPase activity assay, radiolabeled drug uptake/efflux, a rhodamine 123 retention assay, lysosomal membrane permeability assessment, and DCF (2',7'-dichlorofluorescin) redox studies. Anti-tumor activity and selectivity of Dp44mT in Pgp-expressing, MDR cells versus drug-sensitive cells were studied using a BALB/c nu/nu xenograft mouse model. We demonstrate that Dp44mT is transported by the lysosomal Pgp drug pump, causing lysosomal targeting of Dp44mT and resulting in enhanced cytotoxicity in MDR cells. Lysosomal Pgp and pH were shown to be crucial for increasing Dp44mT-mediated lysosomal damage and subsequent cytotoxicity in drug-resistant cells, with Dp44mT being demonstrated to be a Pgp substrate. Indeed, Pgp-dependent lysosomal damage and cytotoxicity of Dp44mT were abrogated by Pgp inhibitors, Pgp silencing, or increasing lysosomal pH using lysosomotropic bases. In vivo, Dp44mT potently targeted chemotherapy-resistant human Pgp-expressing xenografted tumors relative to non-Pgp-expressing tumors in mice. This study highlights a novel Pgp hijacking strategy of the unique dipyridylthiosemicarbazone series of thiosemicarbazones that overcome MDR via utilization of lysosomal Pgp transport activity. PMID:25720491

  4. Benzyl Derivatives with in Vitro Binding Affinity for Human Opioid and Cannabinoid Receptors from the Fungus Eurotium repens

    PubMed Central

    Gao, Jiangtao; León, Francisco; Radwan, Mohamed M.; Dale, Olivia R.; Husni, Afeef S.; Manley, Susan P.; Lupien, Shari; Wang, Xiaoning; Hill, Robert A.; Dugan, Frank M.; Cutler, Horace G.; Cutler, Stephen J.

    2011-01-01

    Bioassay-guided fractionation of the fungus Eurotium repens resulted in the isolation of two new benzyl derivatives, (E)-2-(hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol (1) and (E)-4-(hept-1-enyl)-7-(3-methylbut-2-enyl)-2,3-dihydrobenzofuran-2,5-diol (2) along with seven known compounds (3–9) including five benzaldehyde compounds, flavoglaucin (3), tetrahydroauroglaucin (4), dihydroauroglaucin (5), auroglaucin (6) and 2-(2?,3-epoxy-1?,3?-heptadienyl)- 6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde (7), one diketopiperazine alkaloid echinulin (8), and 5,7-dihydroxy-4-methylphthalide (9). The chemical structures of these compounds were established on the basis of extensive 1D, 2D NMR and HRMS data. Compounds 1–4 and 6 showed good binding affinity for human opioid or cannabinoid receptors. These findings have important implications for psychoactive studies with this class of compounds. PMID:21667972

  5. Aldol derivatives of Thioxoimidazolidinones as potential anti-prostate cancer agents.

    PubMed

    Khatik, Gopal L; Kaur, Jasmine; Kumar, Varun; Tikoo, Kulbhushan; Venugopalan, P; Nair, Vipin A

    2011-08-01

    The paper discusses the synthesis and stereochemical aspects of the anti aldol products, 3-(substituted phenyl)-5-[(substituted phenyl) hydroxy methyl]-5-methyl-4-oxo-2-thioxoimidazolidines. The stereochemistry observed in the aldol reactions with benzaldehydes was explained by transition state model of the endocyclic (E)-enolate formed from the rigid 4-oxo-2-thioxoimidazolidine skeleton. Proton NMR and ROESY spectral analyses were carried out to identify the syn and anti conformations of the aldol diastereomers. Configurations of the enantiomers of the representative anti aldol product 3-(4-chlorophenyl)-5-[(4-chlorophenyl) hydroxy methyl]-5-methyl-4-oxo-2-thioxoimidazolidine was determined by single crystal XRD studies. The compounds were screened in vitro against prostate cancer cell lines, PC-3 and LNCaP and the most potent derivatives were identified. PMID:21600678

  6. Novel cytochrome p450 bioactivation of a terminal phenyl acetylene group: formation of a one-carbon loss benzaldehyde and other oxidative products in the presence of N-acetyl cysteine or glutathione.

    PubMed

    Subramanian, Raju; Tam, Janet; Aidasani, Divesh; Reid, Darren L; Skiles, Gary L

    2011-05-16

    Compounds 1 (N1-(3-ethynylphenyl)-6-methyl-N5-(3-(6-(methylamino)pyrimidin-4-yl)pyridin-2-yl) isoquinoline-1,5-diamine) and 2 (N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; Erlotinib/Tarceva) are kinase inhibitors that contain a terminal phenyl acetylene moiety. When incubated in the presence of P450 and NADPH, the anticipated phenyl acetic acid metabolite was formed. When 10 mM of N-acetyl-l-cysteine was added to the incubation mixtures, the phenyl acetic acid product was reduced and at 25 mM or higher concentration of NAC, formation of the phenyl acetic acid was abolished. Instead, the phenyl acetylene moiety lost a carbon and formed a benzaldehyde product. Other oxidation products incorporating one or more equivalents of NAC were also observed. The identities of the metabolites were characterized by MS and NMR. Addition of deferoxamine or ascorbic acid diminished the formation of the NAC influenced products. Similar products were also observed when 1 or 2 were incubated in P450 reactions supplemented with GSH, in Fenton reactions supplemented with NAC or GSH, and in peroxidase reactions supplemented with NAC. We propose the thiols act as a pro-oxidant readily undergoing a one-electron oxidation to form thiyl radicals which in turn initiates the formation of other peroxy radicals that drive the reaction to the observed products. These in vitro findings suggest that one-electron oxidation of thiols may promote the cooxidation of xenobiotic substrates. PMID:21395287

  7. Complex derivatives

    NASA Astrophysics Data System (ADS)

    Battiston, Stefano; Caldarelli, Guido; Georg, Co-Pierre; May, Robert; Stiglitz, Joseph

    2013-03-01

    The intrinsic complexity of the financial derivatives market has emerged as both an incentive to engage in it, and a key source of its inherent instability. Regulators now faced with the challenge of taming this beast may find inspiration in the budding science of complex systems.

  8. Derivatives of the triaminoguanidinium ion, 3. Multiple N-functionalization of the triaminoguanidinium ion with isocyanates and isothiocyanates

    PubMed Central

    Szabo, Jan; Karger, Kerstin; Bucher, Nicolas

    2014-01-01

    Summary 1,2,3-Triaminoguanidinium chloride was combined with benzaldehyde and hydratropic aldehyde to furnish the corresponding tris(imines), which were converted into 1,2,3-tris(benzylamino)guanidinium salts by catalytic hydrogenation in the former, and by borane reduction in the latter case. The resulting alkyl-substituted triaminoguanidinium salts underwent a threefold carbamoylation with aryl isocyanates to furnish 1,2,3-tris(ureido)guanidinium salts, while p-toluenesulfonyl isocyanate led only to a mono-ureido guanidinium salt. With aryl isothiocyanates, 3-hydrazino-1H-1,2,4-triazole-5(4H)-thione derivatives were obtained. Compounds 7a and 8 show interesting solid-state structures with intra- and intermolecular hydrogen bonds. PMID:25298792

  9. Synthesis, characterization, DNA interaction, antioxidant and anticancer activity of new ruthenium(II) complexes of thiosemicarbazone/semicarbazone bearing 9,10-phenanthrenequinone.

    PubMed

    Anitha, Panneerselvam; Chitrapriya, Nataraj; Jang, Yoon Jung; Viswanathamurthi, Periasamy

    2013-12-01

    A new series of octahedral ruthenium(II) complexes supported by tridentate ligands derived from phenanthrenequinone and derivatives of thiosemicarbazide/semicarbazide and other co-ligands have been synthesized and characterized. DNA binding experiments indicated that ruthenium(II) complexes can interact with DNA through non-intercalation and the apparent binding constant value (Kb) of [RuCl(CO)(PPh?)(L?)] (3) at room temperature was calculated to be 2.27 × 10(3)M(-1). The DNA cleavage studies showed that the complexes have better cleavage of pBR 322 DNA. Antioxidative activity proved that the complexes have significant radical scavenging activity against free radicals. Cytotoxic activities showed that the ruthenium(II) complexes exhibited more effective cytotoxic activity against selected cancer cells. PMID:24144689

  10. 3-Bromo-2-hy­droxy­benzaldehyde

    PubMed Central

    Metlay, Jessica B.; Tanski, Joseph M.

    2012-01-01

    The mol­ecule of the title compound, C7H5BrO2, is almost planar (r.m.s. deviation from the plane of all the non-H atoms = 0.0271?Å) and displays intra­molecular O—H?O hydrogen bonding between the phenol group and the aldehyde O atom. Packing is directed by weak inter­molecular C—H?Br inter­actions and ?-stacking between nearly parallel mol­ecules [dihedral angle = 5.30?(6)° and centroid–centroid distance = 3.752?(1)?Å]. PMID:22904926

  11. Di-aqua-[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-?(4) N]iron(III) tri-fluoro-methane-sulfonate-4-hy-droxy-3-meth-oxy-benzaldehyde-water (1/1/2).

    PubMed

    Ben Haj Hassen, Leila; Ezzayani, Khaireddine; Rousselin, Yoann; Nasri, Habib

    2014-08-01

    In the title compound, [Fe(C44H24Cl4N4)(H2O)2](SO3CF3)·C8H8O3·2H2O, the Fe(III) cation is chelated by the four N atoms of the deprotonated tetra-kis-(4-chloro-tetra-phen-yl)porphyrin (TClPP) and further coordinated by two water mol-ecules in a distorted octa-hedral geometry. In the crystal, the cations, anions, 4-hy-droxy-3-meth-oxy-benzaldehyde and water mol-ecules of crystallization are linked by classical O-H?O hydrogen bonds and weak C-H?O and C-H?Cl hydrogen bonds into a three-dimensional supra-molecular architecture. The crystal packing is further stabilized by weak C-H?? inter-actions involving pyrrole and benzene rings. ?-? stacking between parallel benzene rings of adjacent 4-hy-droxy-3-meth-oxy-benzaldehyde mol-ecules is also observed, the centroid-centroid distance being 3.8003?(13)?Å. The three F atoms of the anion are disordered over two sets of sites, with a refined occupancy ratio 0.527?(12):0.473?(12). The O atom of one water mol-ecule of crystallization is also disordered over two positions in an occupancy ratio of 0.68?(5):0.32?(5). PMID:25249880

  12. A Vanillin Derivative Causes Mitochondrial Dysfunction and Triggers Oxidative Stress in Cryptococcus neoformans

    PubMed Central

    Kim, Jin Hyo; Lee, Han-Ok; Cho, Yong-Joon; Kim, Jeongmi; Chun, Jongsik; Choi, Jaehyuk; Lee, Younghoon; Jung, Won Hee

    2014-01-01

    Vanillin is a well-known food and cosmetic additive and has antioxidant and antimutagenic properties. It has also been suggested to have antifungal activity against major human pathogenic fungi, although it is not very effective. In this study, the antifungal activities of vanillin and 33 vanillin derivatives against the human fungal pathogen Cryptococcus neoformans, the main pathogen of cryptococcal meningitis in immunocompromised patients, were investigated. We found a structural correlation between the vanillin derivatives and antifungal activity, showing that the hydroxyl or alkoxy group is more advantageous than the halogenated or nitrated group in benzaldehyde. Among the vanillin derivatives with a hydroxyl or alkoxy group, o-vanillin and o-ethyl vanillin showed the highest antifungal activity against C. neoformans. o-Vanillin was further studied to understand the mechanism of antifungal action. We compared the transcriptome of C. neoformans cells untreated or treated with o-vanillin by using RNA sequencing and found that the compound caused mitochondrial dysfunction and triggered oxidative stress. These antifungal mechanisms of o-vanillin were experimentally confirmed by the significantly reduced growth of the mutants lacking the genes involved in mitochondrial functions and oxidative stress response. PMID:24586538

  13. The volatile profiles of a rare apple (Malus domestica Borkh.) honey: shikimic acid-pathway derivatives, terpenes, and others.

    PubMed

    Ku?, Piotr Marek; Jerkovi?, Igor; Tuberoso, Carlo Ignazio Giovanni; Šaroli?, Mladenka

    2013-09-01

    The volatile profiles of rare Malus domestica Borkh. honey were investigated for the first time. Two representative samples from Poland (sample?I) and Spain (sample?II) were selected by pollen analysis (44-45% of Malus spp. pollen) and investigated by GC/FID/MS after headspace solid-phase microextraction (HS-SPME) and ultrasonic solvent extraction (USE). The apple honey is characterized by high percentage of shikimic acid-pathway derivatives, as well as terpenes, norisoprenoids, and some other compounds such as coumaran and methyl 1H-indole-3-acetate. The main compounds of the honey headspace were (sample?I; sample?II): benzaldehyde (9.4%; 32.1%), benzyl alcohol (0.3%; 14.4%), hotrienol (26.0%, 6.2%), and lilac aldehyde isomers (26.3%; 1.7%), but only Spanish sample contained car-2-en-4-one (10.2%). CH2 Cl2 and pentane/Et2 O 1?:?2 (v/v) were used for USE. The most relevant compounds identified in the extracts were: benzaldehyde (0.9-3.9%), benzoic acid (2.0-11.2%), terpendiol I (0.3-7.4%), coumaran (0.0-2.8%), 2-phenylacetic acid (2.0-26.4%), methyl syringate (3.9-13.1%), vomifoliol (5.0-31.8%), and methyl 1H-indole-3-acetate (1.9-10.2%). Apple honey contained also benzyl alcohol, 2-phenylethanol, (E)-cinnamaldehyde, (E)-cinnamyl alcohol, eugenol, vanillin, and linalool that have been found previously in apple flowers, thus disclosing similarity of both volatile profiles. PMID:24078598

  14. Triapine and a more potent dimethyl derivative induce endoplasmic reticulum stress in cancer cells.

    PubMed

    Trondl, Robert; Flocke, Lea S; Kowol, Christian R; Heffeter, Petra; Jungwirth, Ute; Mair, Georg E; Steinborn, Ralf; Enyedy, Éva A; Jakupec, Michael A; Berger, Walter; Keppler, Bernhard K

    2014-03-01

    Triapine (3-AP; 3-aminopyridine-2-carboxaldehyde thiosemicarbazone), a ribonucleotide reductase inhibitor, has been extensively evaluated in clinical trials in the last decade. This study addresses the role of endoplasmic reticulum (ER) stress in the anticancer activity of 3-AP and the derivative N(4),N(4)-dimethyl-triapine (3-AP-Me), differing from 3-AP only by dimethylation of the terminal nitrogen. Treatment of colon cancer cells with 3-AP or 3-AP-Me activated all three ER stress pathways (PERK, IRE1a, ATF6) by phosphorylation of eIF2? and upregulation of gene expression of activating transcription factors ATF4 and ATF6. In particular, 3-AP-Me led to an upregulation of the alternatively spliced mRNA variant XBP1 (16-fold). Moreover, 3-AP and 3-AP-Me activated the cellular stress kinases c-Jun N-terminal kinase (JNK) and p38 mitogen-activated protein kinases, and inhibition of JNK activity antagonized the cytotoxic effect of both compounds. Subsequent to induction of the unfolded protein response, a significant upregulation of proapoptotic proteins was detected, including the transcription factor CHOP and Bim, an essential factor for ER stress-related apoptosis. In correlation with the higher degree of ER stress after 3-AP-Me treatment, also a more potent depolarization of mitochondrial membranes was found. These data suggest that 3-AP and 3-AP-Me induce apoptosis via ER stress. This was further corroborated by showing that inhibition of protein biosynthesis with cycloheximide prior to 3-AP and 3-AP-Me treatment leads to a significant reduction of the antiproliferative properties of both compounds. Taken together, this study demonstrates that induction of ER stress contributes to the mode of action of 3-AP and that terminal dimethylation leads to an even more pronounced manifestation of this effect. PMID:24378333

  15. Fluorescent sensors based on BODIPY derivatives for aluminium ion recognition: an experimental and theoretical study.

    PubMed

    Keawwangchai, Tasawan; Morakot, Nongnit; Wanno, Banchob

    2013-03-01

    Two BODIPY derivative sensors for metal ion recognition containing 10-(4-hydroxyphenyl) (L1) and 10-(3,4-dihydroxyphenyl) (L2) were synthesized in a one-pot reaction of benzaldehyde derivative and 2,4-dimethylpyrrole in the presence of trifluoroacetic acid as catalyst. The binding abilities between these sensors and 50 equivalents of Na(+), K(+), Ag(+), Ca(2+), Fe(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+), Cd(2+), Pb(2+), Al(3+) and Cr(3+) ions were studied using UV-vis and fluorescent spectroscopic methods. Of all the metal ions tested, Al(3+) ion showed the greatest decrease in intensity in the spectra of the sensors, and therefore Al(3+) ion forms the strongest complex. The binding abilities of BODIPY receptors with Na(+), Ag(+), Ca(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+) and Al(3+) ions were also investigated using density functional theory (DFT) calculations at B3LYP/LanL2DZ theoretical level. The calculated results point to the same conclusion. DFT calculations also provided the HOMO-LUMO energy levels, which can explain the spectrum change upon complexation. PMID:23224941

  16. Spectroscopic studies and structure of 3-methoxy-2 -[(2,4,4,6,6-pentachloro-1,3,5,2{lambda}{sup 5},4{lambda}{sup 5},6{lambda}{sup 5}-triazatriphosphin-2-yl)oxy] benzaldehyde

    SciTech Connect

    Oezay, H.; Yildiz, M., E-mail: myildiz@comu.edu.tr [Canakkale Onsekiz Mart University, Department of Chemistry, Faculty of Science and Arts (Turkey); Uenver, H.; Durlu, T. N. [Ankara University, Department of Physics, Faculty of Science (Turkey)] [Ankara University, Department of Physics, Faculty of Science (Turkey)

    2013-01-15

    The compound called 3-methoxy-2- [(2,4,4,6,6-pentachloro-1,3,5,2{lambda}{sup 5},4{lambda}{sup 5},6{lambda}{sup 5}-triazatriphosphin-2-yl)oxy] benzaldehyde has been synthesized from the reaction of 2-hydroxy-3-methoxybenzaldehyde with hexachlorocyclotriphosphazene. It has been characterized by elemental analysis, MS, IR, {sup 1}H NMR, {sup 13}C NMR, {sup 31}P NMR and UV-visible spectroscopic techniques. The structure of the title compound has been determind by X-ray analysis. Crystals are orthorhombic, space group P2{sub 1}2{sub 1}2{sub 1}, Z = 4, a = 7.705(1), b = 12.624(1), c = 17.825(2) A, R{sub 1} = 0.0390 and wR{sub 2} = 0.1074 [I > 2{sigma}(I)], respectively.

  17. X-ray and DFT calculated structures of 2-(1 H-imidazol-1-yl)-1-(2-naphthyl)ethan-1-one N-phenylthiosemicarbazone and 2-(1 H-imidazol-1-yl)-1-(2-naphthyl)ethan-1-one N-(4-chlorophenyl)thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Sahin, Z. S.; Septioglu, E.; Calis, U.; Isik, S.

    2014-12-01

    Crystal and molecular structures of two new compounds 2-(1 H-imidazol-1-yl)-1-(2-naphthyl)ethan-1-one N-phenylthiosemicarbazone, C22H19N5S, ( I) and 2-(1 H-imidazol-1-yl)-1-(2-naphthyl)ethan-1-one N-(4-chlorophenyl)thiosemicarbazone, C22H18ClN5S, ( II) have been determined by single-crystal X-ray diffraction. Molecular geometries from X-ray experiment of I and II have been compared with those calculated using the Density Functional Theory (DFT) with B3LYP/6-31G( d, p) basis set. Both compounds crystallize in the monoclinic space group P21/ c with Z = 4: a = 13.2880(5), 14.2648(3) Å, b = 9.4122(2), 9.3892(3) Å, c = 15.6341(6), 15.6268(4) Å, ? = 101.779(3)°, 104.926(2)°, for I and II, respectively. An extensive two-dimensional network of N-H⋯N hydrogen bonds and ?-ring interactions are responsible for crystal stabilization in both structures.

  18. Weather Derivative Valuation

    NASA Astrophysics Data System (ADS)

    Jewson, Stephen; Brix, Anders

    2005-04-01

    Weather Derivative Valuation is the first book to cover all the meteorological, statistical, financial and mathematical issues that arise in the pricing and risk management of weather derivatives. There are chapters on meteorological data and data cleaning, the modelling and pricing of single weather derivatives, the modelling and valuation of portfolios, the use of weather and seasonal forecasts in the pricing of weather derivatives, arbitrage pricing for weather derivatives, risk management, and the modelling of temperature, wind and precipitation. Specific issues covered in detail include the analysis of uncertainty in weather derivative pricing, time-series modelling of daily temperatures, the creation and use of probabilistic meteorological forecasts and the derivation of the weather derivative version of the Black-Scholes equation of mathematical finance. Written by consultants who work within the weather derivative industry, this book is packed with practical information and theoretical insight into the world of weather derivative pricing.

  19. Derivations of quasi *-algebras

    E-print Network

    F. Bagarello; A. Inoue; C. Trapani

    2009-03-31

    The spatiality of derivations of quasi *-algebras is investigated by means of representation theory. Moreover, in view of physical applications, the spatiality of the limit of a family of spatial derivations is considered.

  20. Derivation of Characteristic Formulae

    Microsoft Academic Search

    Markus Müller-Olm

    1998-01-01

    This paper shows how modal mu-calculus formulae characterizing finite-state processes up to strong or weak bisimulation can be derived directly from the well-known greatest fixpoint characterizations of the bisimulation relations. Our derivation simplifies earlier proofs for the strong bisimulation case and, by virtue of derivation, immediately generalizes to various other bisimulation-like relations, in particular weak bisimulation.

  1. Coordination of Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), Pd(II) and Pt(II) with 2,5-hexanedione bis(thiosemicarbazone), HBTS: Crystal structure of cis-[Pd(HBTS)]Cl2 and 1-(2,5-dimethyl-1H-pyrrol-yl)-thiourea

    NASA Astrophysics Data System (ADS)

    Jeragh, Bakir; El-Asmy, Ahmed A.

    2014-09-01

    Metal complexes of Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Pd2+ or Pt2+ with 2,5-hexanedione bis(thiosemicarbazone), HBTS; have been prepared and spectroscopically investigated. The empirical formulae of the complexes were suggested based on the elemental analysis. Single crystal of Pd(II) has been solved to be cis-form of square-planar geometry by the X-ray crystallography. 1H and 13C NMR spectra have been recorded for HBTS, Zn(II), Cd(II), Hg(II), Pd(II) and Pt(II) complexes, in DMSO-d6, showing the mode of chelation. The ligand acts as a neutral or a binegative tetradentate (N2S2) or neutral bidentate on the basis of FT-IR. The magnetic moments and electronic spectra provide information about the geometry of the complexes which supported by calculating the ligand field parameters for the Co(II) and Fe(III) complexes. The Ni(II) complex has subnormal magnetic moment (0.71 BM) indicative of a mixed stereochemistry of square-planar and tetrahedral structure. [Cu(HBTS-2H)] measured 0.93 BM indicating high interaction between the copper centers. The ligand may be ordered at the top of the spectrochemical series which giving high ligand field splitting energy (10Dq = 17,900 cm-1 for Co2+ complex). The mass spectra of some complexes proved their stable chemical formulae while the TGA depicts the degradation steps and the final residue. In evaporating the mother liquor during the preparation of HBTS, new compound is obtained naming 1-(2,5-dimethyl-1H-pyrrol-yl)thiourea and its crystal was solved.

  2. Synthesis, photoisomerization properties and thermal bleaching kinetics of pyrazolones containing 3-cyanobenzal.

    PubMed

    Deng, Caiming; Abdurehman, Samat; Liu, Lang; Wu, Dongling; Jia, Dianzeng; Zhou, Rong

    2015-09-01

    Through the design of molecules and the modification of structures, ten novel pyrazolone derivatives containing 3-cyanobenzal have been synthesized. They are 1-phenyl-3-methyl-4-(3-cyanobenzal)-5-hydroxypyrazole thiosemicarbazone (1)/4-methyl-3-thiosemicarbazone (2)/4-ethyl-3-thiosemicarbazone (3)/4-phenyl-3-thiosemicarbazone (4)/4-phenylsemicarbazone (5) and 1,3-diphenyl-4-(3-cyanobenzal)-5-hydroxypyrazole thiosemicarbazone (6)/4-methyl-3-thiosemicarbazone (7)/4-ethyl-3-thiosemicarbazone (8)/4-phenyl-3-thiosemicarbazone (9)/4-phenylsemicarbazone (10), in which seven compounds (1, 2, 3, 6, 7, 8 and 10) have photoisomerization behaviors. Their structures, photoisomerization properties, and first-order kinetics were investigated. The results show that the compounds 2, 3, 7 and 8 exhibit irreversible photoisomerization behaviors, the other three compounds have reversible photoisomerization behaviors under 365nm light irradiation and heat. But only 1,3-diphenyl-4-(3-cyanobenzal)-5-hydroxypyrazole 4-phenylsemicarbazone (10) exhibits good photochromic properties and fatigue resistance. Moreover, effects of various temperatures on the thermal bleaching reaction for 10 and substituent groups on the photochromic phenomenon are discussed. PMID:25909906

  3. Endohedral Metallofullerene Derivatives

    NASA Technical Reports Server (NTRS)

    Dorn, Harry C. (Inventor); Iezzi, Erick B. (Inventor); Duchamp, James (Inventor)

    2008-01-01

    Trimetallic nitride endohedral metallofullerene derivatives and their preparation are described. The trimetallic nitride endohedral metallofullerene derivatives have the general formula A(sub 3-n)X(sub n)@C(sub m)(R) where n ranges from 0 to 3, A and X may be trivalent metals and may be either rare earth metal or group IIIB metals, m is between about 60 and about 200, and R is preferably an organic group. Derivatives where the R group forms cyclized derivatives with the fullerene cage are also described.

  4. Partial Derivative Visualization Gallery

    NSDL National Science Digital Library

    Roberts, Lila F.

    2004-11-11

    This resource is a small gallery of demos for illustrating partial derivatives geometrically. These animations can be used by instructors in a classroom setting or by students to aid in acquiring a visualization background for partial derivatives. Two file formats, gif and QuickTime files are used for the animations which can be downloaded.

  5. 4-(N,N-dipropylamino)benzaldehyde inhibits the oxidation of all-trans retinal to all-trans retinoic acid by ALDH1A1, but not the differentiation of HL-60 promyelocytic leukemia cells exposed to all-trans retinal

    PubMed Central

    Russo, James; Barnes, Annette; Berger, Katie; Desgrosellier, Jay; Henderson, Jennifer; Kanters, Ana; Merkov, Lubo

    2002-01-01

    Background The signal transduction pathways mediated by retinoic acid play a critical role in the regulation of cell growth and differentiation during embryogenesis and hematopoiesis as well as in a variety of tumor cell lines in culture. Following the reports that two members of the superfamily of aldehyde dehydrogenase (ALDH) enzymes, ALDH1A1 and ALDH1A2, were capable of catalyzing the oxidation of all-trans retinal to all-trans retinoic acid with submicromolar Km values, we initiated an investigation of the ability of 4-(N,N-dipropylamino)benzaldehyde (DPAB) to inhibit the oxidation of retinal by purified mouse and human ALDH1A1. Results Our results show that DPAB potently inhibits retinal oxidation, with IC50 values of 0.11 and 0.13 ?M for purified mouse and human ALDH1A1, respectively. Since the HL-60 human myeloid leukemic cell line has been used extensively to study the retinoic acid induced differentiation of HL-60 cells to granulocytes, and ALDH1A1 activity had previously been reported in HL-60 cells, we investigated the ability of DPAB to block differentiation of HL-60 promyelocytic leukemia cells exposed to retinal in culture. In HL-60 cells coincubated with 1 ?M retinal and 50 ?M DPAB for 144 hours, cell differentiation was inhibited only 30%. Furthermore, the NAD-dependent oxidation of propanal or retinal was less than 0.05 nmoles NADH formed/min-107 cells in spectrophotometric assays using HL-60 cell extracts. Conclusion Although ALDH1A1 may be the major catalytic activity for retinal oxidation in some retinoid-dependent mouse and Xenopus embryonic tissues and in adult human and mouse hematopoietic stem cells, another catalytic activity appears to synthesize the retinoic acid ligand necessary to stimulate the differentiation of HL-60 cells to end stage granulocytes. PMID:11872149

  6. Synthesis and the selective antifungal activity of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine derivatives.

    PubMed

    Ozdemir, Ahmet; Turan-Zitouni, Gülhan; Asim Kaplancikli, Zafer; I?can, Gökalp; Khan, Shabana; Demirci, Fatih

    2010-05-01

    Even though there are new classes of compounds now frequently used in treatment of fungal infections, the density of deeply invasive candidiasis has increased at least 10-fold during the past decade. Furthermore, many infections due to Candida species are actually refractory to antifungal therapy. In this present study, it was aimed to synthesize, new hydrazide derivatives of tetrahydroimidazo[1,2-a]pyridine and evaluate their anticandidal activity and cytotoxicity in vitro. The reaction of tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid hydrazides with various benzaldehydes gave tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid benzylidene hydrazide derivatives. The chemical structures of the compounds were elucidated and confirmed by IR, 1H NMR, MS-FAB+ spectroscopy and elemental analyses. Eight new tetrahydroimidazo[1,2-a]pyridine derivatives were synthesized and screened for their antifungal effects against a panel of ten human pathogenic Candida albicans, Candida glabrata, Candida krusei, Candida parapsilosis, Candida tropicalis, Candida utilis, and Candida zeylanoides using agar diffusion and broth microdilution assays, respectively. Furthermore, their cytotoxicity was tested against six mammalian cell lines. Among the analogues, the compound 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid-(4-cyanobenzylidene) showed very strong inhibitory activity (up to MIC 0.016 mg/mL) against the screened Candida species. The same compound showed no in vitro toxicity up to 25 microg/mL concentration suggesting that its antifungal activity (MICs 0.016-1 mg/mL) is selective. PMID:20106559

  7. Derivative Matching Game

    NSDL National Science Digital Library

    Once again, the Mathematical Association of America has struck instructional gold with this latest gem from their online collection of resources for mathematics educators. Created by Barbara Margolius, this derivative matching game presents users with a game board showing graphs of functions on cards. Essentially, the goal of the game is to match the functions with their derivatives. Visitors can begin by reading an overview of the game, along with some brief instructions, and then they should dive right in. The game can also be customized to match functions with just first derivatives or both first and second derivatives. Mathematics educators will have a lot of fun with this one, and even the mathematically uncertain can be drawn into the fold with this easy to use resource.

  8. Derivative actions in China 

    E-print Network

    Lin, Shaowei

    2014-07-02

    The enactment of derivative action was expected to be actively used by shareholders to protect their interests. In fact, it turned out that this reform effort seemed futile as the right to engage in such actions was ...

  9. Definitions Derived from Neutrosophics

    E-print Network

    Florentin Smarandache

    2003-01-28

    Thirty-three new definitions are presented, derived from neutrosophic set, neutrosophic probability, neutrosophic statistics, and neutrosophic logic. Each one is independent, short, with references and cross references like in a dictionary style.

  10. Definitions Derived from Neutrosophics

    Microsoft Academic Search

    Florentin Smarandache

    2003-01-01

    Thirty-three new definitions are presented, derived from neutrosophic set, neutrosophic probability, neutrosophic statistics, and neutrosophic logic. Each one is independent, short, with references and cross references like in a dictionary style.

  11. Synthesis of phenoxatellurine derivatives

    SciTech Connect

    Maksimenko, A.A.; Rivkin, B.B.; Sadekov, I.D.; Minkin, V.I.

    1985-12-01

    The reaction of dimedon enol acetate with tellurium tetrachloride gives derivatives of octahydrophenoxatellurine. The reaction of cyclohexanone enol acetate and methyl ethyl ketone with tellurium tetrachloride or aryltellurium trichloride gives the respective organotellurium trichloride and diorganotellurium dichloride.

  12. Derived Hall Algebras

    Microsoft Academic Search

    Bertrand Toen

    2005-01-01

    The purpose of this work is to define a derived Hall algebra $\\\\mathcal{DH}(T)$, associated to any dg-category $T$ (under some finiteness conditions). Our main theorem states that $\\\\mathcal{DH}(T)$ is associative and unital. It is shown that $\\\\mathcal{DH}(T)$ contains the usual Hall algebra $\\\\mathcal{H}(T)$ when $T$ is an abelian category. We will also prove an explicit formula for the derived Hall

  13. Semisynthetic Derivatives of Epothilones

    NASA Astrophysics Data System (ADS)

    Altmann, Karl-Heinz

    Semisynthetic derivatives of natural products traditionally occupy a prominent space in natural-product-based drug discovery (1, 2). As many biologically active natural products exhibit a high degree of structural complexity (3), the chemical derivatization of material isolated from natural sources often represents the only feasible means (or at least the only economically viable approach) to explore structure-activity-relationships (SAR) and to produce analogs with more favorable pharmacokinetic and pharmacological properties than the natural product lead. Examples of clinically important drugs that are semisynthetic derivatives of natural products exist in virtually all disease areas (1, 2); in the treatment of cancer this includes compounds such as etoposide or teniposide (derived from podophyllotoxin) (4-6), irinotecan and topotecan (derived from camptothecin) (7-9), or docetaxel (derived from 10-deacetylbaccatin III) (10, 11). Even for taxol (11), which is a natural product (12), the sustained supply of sufficient quantities of material for widespread clinical use could only be secured through the development of a semisynthetic production process from another natural product, namely, 10-deacetylbaccatin III (13). In light of these facts, it is not surprising that semisynthesis approaches have also featured prominently in the elucidation of the SAR for epothilones and in the discovery of a number of clinical development candidates.

  14. Derivative-Free Optimization

    Microsoft Academic Search

    Oliver Kramer; David Ciaurri; Slawomir Koziel

    \\u000a In many engineering applications it is common to find optimization problems where the cost function and\\/or constraints require\\u000a complex simulations. Though it is often, but not always, theoretically possible in these cases to extract derivative information\\u000a efficiently, the associated implementation procedures are typically non-trivial and time-consuming (e.g., adjoint-based methodologies).\\u000a Derivative-free (non-invasive, black-box) optimization has lately received considerable attention within the

  15. Fractional Derivative Cosmology

    E-print Network

    Mark D. Roberts

    2009-09-07

    The degree by which a function can be differentiated need not be restricted to integer values. Usually most of the field equations of physics are taken to be second order, curiosity asks what happens if this is only approximately the case and the field equations are nearly second order. For Robertson-Walker cosmology there is a simple fractional modification of the Friedman and conservation equations. In general fractional gravitational equations similar to Einstein's are hard to define as this requires fractional derivative geometry. What fractional derivative geometry might entail is briefly looked at and it turns out that even asking very simple questions in two dimensions leads to ambiguous or intractable results. A two dimensional line element which depends on the Gamma-function is looked at.

  16. Derived Hall algebras

    Microsoft Academic Search

    Bertrand Toën

    2006-01-01

    The purpose of this work is to define a derived Hall algebra $\\\\mathcal{DH}(T)$ , associated to any differential graded (DG) category $T$ (under some finiteness conditions), generalizing the Hall algebra of an abelian category. Our main theorem states that $\\\\mathcal{DH}(T)$ is associative and unital. When the associated triangulated category $[T]$ is endowed with a t-structure with heart $\\\\mathcal{A}$ , it

  17. Derived Equivalences by Quantization

    Microsoft Academic Search

    Dmitry Kaledin

    2008-01-01

    We assume given a smooth symplectic (in the algebraic sense) resolution $X$\\u000aof an affine algebraic variety $Y$, and we prove that, possibly after replacing\\u000a$Y$ with an etale neighborhood of a point, the derived category of coherent\\u000asheaves on $X$ is equivalent to the dervied category of finitely generated left\\u000amodules over a non-commutative algebra $R$, a non-commutative resolution

  18. Lanolin and its derivatives

    Microsoft Academic Search

    Mitchell L. Schlossman; Justin P. McCarthy

    1978-01-01

    Lanolin, which is extensively used in pharmaceuticals and cosmetics, is generally considered to consist of a mixture of naturally\\u000a formed esters derived from higher alcohols and higher fatty acids. This paper encompasses the chemical description of lanolin;\\u000a the composition of its esters, acids, and alcohols; the chemical and physical modifications of lanolin; the refining of lanolin;\\u000a and some of its

  19. 4-Eth­oxy-3-meth­oxy­benzaldehyde

    PubMed Central

    Leka, Zorica; Novakovi?, Sladjana B.; Bogdanovi?, Goran A.; Muškinja, Jovana; Vuki?evi?, Rastko D.

    2013-01-01

    In the title compound, C10H12O3, all non-H atoms are approximately coplanar, with an r.m.s. deviation of 0.046?Å. In the crystal, very weak C—H?O inter­actions link the mol­ecules into sheets parallel to (101). PMID:24454190

  20. Deriving Darcy's Law

    NSDL National Science Digital Library

    Karen Salvage

    This exercise begins with a demonstration of fluid flow through porous sediment using a constant head permeameter, with the students conducting the experiment and collecting the data. The demo is followed by a Think-Pair-Share exercise in which the question is posed to the class: "What could we change in order to increase flow through the system?" The class then works through their brainstormed list of ideas, discussing each and evaluating whether it is correct or a misconception. The students derive Darcy's Law qualitatively, based upon the results of the Think-Pair-Share exercise and discussions.

  1. Space Derived Air Monitor

    NASA Technical Reports Server (NTRS)

    1983-01-01

    COPAMS, Commonwealth of Pennsylvania Air Monitoring System, derives from technology involved in building unmanned spacecraft. The Nimbus spacecraft carried experimental sensors to measure temperature, pressure, ozone, and water vapor, and instruments for studying solar radiation and telemetry. The process which relayed these findings to Earth formed the basis for COPAMS. The COPAMS system consists of data acquisition units which measure and record pollution level, and sense wind speed and direction, etc. The findings are relayed to a central station where the information is computerized. The system is automatic and supplemented by PAQSS, PA Air Quality Surveillance System.

  2. Adipose-derived cells.

    PubMed

    Meliga, Emanuele; Strem, Brian M; Duckers, H J; Serruys, Patrick W

    2007-01-01

    Heart failure is by far the most common cause of hospitalization in Western countries, with onerous economic consequences. Cell therapy holds great promise for use in tissue regeneration and is increasingly used in an effort to improve outcomes in cardiac disease. Recently it has been shown that adipose tissue, in addition to committed adipogenic, endothelial progenitor cells and pluripotent vascular progenitor cells, also contains multipotent cell types (adipose-derived stem cells, ADSCs) that, in cell culture conditions, have shown to have an impressive developmental plasticity including the ability to undergo multilineage differentiation and self-renewal. ADSCs express multiple CD marker antigens similar to those observed on MSCs and are also capable of secreting a large number of angiogenesis-related cytokines, including vascular endothelial growth factor, granulocyte/macrophage colony stimulating factor, stromal-derived factor-1alpha, and hepatocyte growth factor. Adipose tissue can be harvested in large quantities with minimal morbidity in several regions of the body and, on average, 100 ml of human adipose tissue yields about 1 x 10(6) stem cells. Studies conducted in porcine AMI models have shown a significant LV functional improvement, with no report of any potentially fatal arrhythmias. The APOLLO trial, a prospective, double blind, randomized, placebo-controlled trial currently in the recruiting phase, is a "first-in-man" study that explores the safety and feasibility of ADSC transplantation in patients with acute MI. PMID:18293895

  3. 6-Bromocholesterol derivatives

    SciTech Connect

    Flanagan, R.J.

    1984-02-07

    Novel 6-bromo derivatives of cholesterol have the formula 3-(R-O-),6-BR,17-((H3C-)2-HC-H2C-H2C-H2C-HC(-CH3)-)-ESTR-5-ENE Such compounds are prepared from the known 6-iodocholesterol by treatment with cuprous bromide. These compounds, labelled with radioisotopes of Br-82 or Br-77, are localized in the adrenal, mammary and ovary tissue of female mammals and in the adrenal or prostate tissue of males when administered to such individuals. This provides a method for imaging adrenal, ovary or prostate tissue which is superior to use of the prior art 6-iodo-cholesterol.

  4. Deriving Category Theory Type Theory

    E-print Network

    Crole, Roy L.

    Deriving Category Theory from Type Theory Roy L. Crole March 1993 Abstract This work expounds for example [BW90] or [Pie91]. Before we embark on our derivation of a category, let us review the traditional

  5. The Antioxidant Activity of New Coumarin Derivatives

    PubMed Central

    Kadhum, Abdul Amir H.; Al-Amiery, Ahmed A.; Musa, Ahmed Y.; Mohamad, Abu Bakar

    2011-01-01

    The antioxidant activity of two synthesized coumarins namely, N-(4,7-dioxo-2- phenyl-1,3-oxazepin-3(2H,4H,7H)-yl)-2-(2-oxo-2H-chromen-4-yloxy)acetamide 5 and N-(4-oxo-2-phenylthiazolidin-3-yl)-2-(2-oxo-2H-chromen-4-yloxy)acetamide 6 were studied with the DPPH, hydrogen peroxide and nitric oxide radical methods and compared with the known antioxidant ascorbic acid. Compounds 5 and 6 were synthesized in a good yield from the addition reaction of maleic anhydride or mercaptoacetic acid to compound 4, namely N?-benzylidene-2-(2-oxo-2H-chromen-4-yloxy)acetohydrazide. Compound 4 was synthesized by the condensation of compound 3, namely 2-(2-oxo-2H-chromen-4-yloxy) acetohydrazide, with benzaldehyde. Compound 3, however, was synthesized from the addition of hydrazine to compound 2, namely ethyl 2-(2-oxo-2H-chromen-4-yloxy)acetate, which was synthesized from the reaction of ethyl bromoacetate with 4-hydroxycoumarin 1. Structures for the synthesized coumarins 2–6 are proposed on the basis of spectroscopic evidence. PMID:22016624

  6. Synthesis of phenyldithioglyoxalic acid and its esters. A route to a-ketodithioacid derivatives

    Microsoft Academic Search

    Jayalakshmi Ramachandran; D. V. Ramana; S. R. Ramadas; C. N. Pillai

    1980-01-01

    A novel route has been developed for the direct synthesis of the hitherto unknowna-ketodithioacid. Benzaldehyde has been treated with carbon disulphide in the presence of potassium cyanide, thereby making\\u000a the intermediate carbanion Ph-C(OH)CN to add on to carbon disulphide eventually leading to thea-ketodithioacid. The methyl and ?-carboxypropyl esters of this acid have also been prepared.

  7. Biomolecule derived nanostructured arrays

    NASA Astrophysics Data System (ADS)

    Yuan, Zhen

    During the last decade, intensive research have been reported on biomimetic approaches towards achieving mono-dispersed nanoparticles, and building self-assembled system out of those (organizing nanoparticles). However the development of this research avenue is being hindered by the limited knowledge and very few practical, efficient, cost-effective approaches for implementation of the bio-derived arrays into engineering practice. The objective of this work is to biomimeticaly form nanocomposite materials using a simple, rapid, inexpensive, scalable approach, which is general enough and not limited to colloidal particle self-assembly. Throughout the studies, we have developed a universally applicable process, which is to fabricate macro-biomolecular arrays on solid substrates based on the convective self-assembly of colloidal particles. We have demonstrated that protein (ferritin) and virus (phage) arrays were directly deposited onto solid substrates such as glass, silicon wafer, and gold substrate in closed or near closed-packed order. The arrays were further incorporated into a more robust silica matrix, in such that strengthens the thermal stability and provides porous accessibility. After treatment in controlled pyrolysis, the organic protein shell was removed, left mono-dispersed iron-oxide nanoparticles intact on the substrate or in the silica matrix. Both iron-oxide nanoparticles arrays with or without silica matrix have been further characterized to possess superferromagnetic properties at low temperature (15 K), same as that in bulk material. Initial work on protein patterning, through combining either lithography based top-down or bottom-up techniques with our novel deposition approach, was presented as well. Thin film deposition of mesoporous materials using convective self-assembly is another main part in this work. Both silica and carbon mesoporous thin films were successfully formed using the convective self-assembly horizontal-coating approach. We have shown that ultra thin mesoporous film (less than 100 nm) could be obtained through increasing the coating speed with the solution concentration remained same. Combining with lithographically patterned surface, the mesoporous thin films will be well suited for applications for bio-sensing, separations and etc. Studies were also carried out on the transport of fluid and electric current in fluidic channels with size in nanometer range; particular attention was paid on the effect of the electrolyte valence. At these dimensions new physical phenomena begin to occur because the electric double layers formed at the channel walls become comparable to the channel width and the overall wall surface to channel volume ratio increases. Numerical analysis predicts that the electrokinetic transport phenomena differ from multivalent ions to monovalent ions in the nanochannel when double layer overlap is large. This dependence affects the transport of current, fluid and dissolved analytes in a fluidic channel. The valence of the dissolved counterions determines the electric current and fluid flow in a nanochannel by shaping the electrostatic potential distribution. Our calculation shows that in absence of strong adsorption at the wall, divalent counterions lead to greater current and fluid flow than monovalent electrolyte for the same overall ionic strength. The results also indicate that control over the transport processes in fluidic nanochannels can be accomplished through properly selecting and combining electrolytes.

  8. 2-Benzoyl-4-chloro­aniline thio­semi­carbazone

    PubMed Central

    Bandeira, Katlen C. T.; Bresolin, Leandro; Lehmann, Ueslei Z.; Zambiazi, Priscilla J.; de Oliveira, Adriano Bof

    2014-01-01

    In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloro­aniline with thio­semicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31?(13)°. In the crystal, the mol­ecules are linked by three N—H?S hydrogen bonds, forming centrosymmetric rings with set-graph motif R 2 2(8) and R 2 2(18), and resulting in the formation of a two-dimensional network lying parallel to (010). PMID:24940260

  9. 2-Benzoyl-4-chloro-aniline thio-semi-carbazone.

    PubMed

    Bandeira, Katlen C T; Bresolin, Leandro; Lehmann, Ueslei Z; Zambiazi, Priscilla J; de Oliveira, Adriano Bof

    2014-06-01

    In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloro-aniline with thio-semicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31?(13)°. In the crystal, the mol-ecules are linked by three N-H?S hydrogen bonds, forming centrosymmetric rings with set-graph motif R 2 (2)(8) and R 2 (2)(18), and resulting in the formation of a two-dimensional network lying parallel to (010). PMID:24940260

  10. Programmed Derivations of Relational Structures

    Microsoft Academic Search

    Andrea Maggiolo-schettini; Józef Winkowski

    1990-01-01

    Derivations of relational structures by applying productions are considered. The corresponding concepts are taken from the existing algebraic (category theory) approach to transformations of relational structures. An idea of programs for defining sets of derivations is introduced. A number of programming constructs is introduced to specify applications of productions in a controlled way. These constructs are given together with two

  11. Pseudorandom Financial Derivatives [Extended Abstract

    E-print Network

    Zuckerman, David

    in the recent financial crisis. A derivative is a financial product whose value is a function of one or more un computational assumption. In- deed, in the recent financial crisis, it appears that sellers did pack lemonsPseudorandom Financial Derivatives [Extended Abstract] David Zuckerman Department of Computer

  12. Inflation Derivatives L. P. Hughston

    E-print Network

    Macrina, Andrea

    Inflation Derivatives L. P. Hughston Department of Mathematics King's College London The Strand (0)207 848 2855 Abstract. A general theory for the pricing and hedging of inflation The purpose of this note is to outline briefly a general model of inflation and inflation-linked derivatives

  13. Elementary derivation of Kepler's laws

    Microsoft Academic Search

    Erich Vogt

    1996-01-01

    A simple derivation of all three so-called Kepler laws is presented in which the orbits, bound and unbound, follow directly and immediately from conservation of energy and angular momentum. The intent is to make this crowning achievement of Newtonian mechanics easily accessible to students in introductory physics courses. The method is also extended to simplify the derivation of the Rutherford

  14. The Amazingly Versatile Titanocene Derivatives

    NASA Astrophysics Data System (ADS)

    Bowman, Donald C.

    2006-05-01

    Derivatives of titanocene are remarkably versatile in their chemical applications. This article presents a brief review of the derivatives' uses in the fields of polymers, medical oncology, and organic synthesis. While exhaustive studies exist emphasizing a single field of application, this article shows the breadth of application existing with these complexes.

  15. Derivations and skew derivations of the Grassmann algebras

    E-print Network

    Bavula, V V

    2007-01-01

    Surprisingly, skew derivations rather than ordinary derivations are more basic (important) object in study of the Grassmann algebras. Let $\\L_n = K\\lfloor x_1, ..., x_n\\rfloor$ be the Grassmann algebra over a commutative ring $K$ with ${1/2}\\in K$, and $\\d$ be a skew $K$-derivation of $\\L_n$. It is proved that $\\d$ is a unique sum $\\d = \\d^{ev} +\\d^{od}$ of an even and odd skew derivation. Explicit formulae are given for $\\d^{ev}$ and $\\d^{od}$ via the elements $\\d (x_1), ..., \\d (x_n)$. It is proved that the set of all even skew derivations of $\\L_n$ coincides with the set of all the inner skew derivations. Similar results are proved for derivations of $\\L_n$. In particular, $\\Der_K(\\L_n)$ is a faithful but not simple $\\Aut_K(\\L_n)$-module (where $K$ is reduced and $n\\geq 2$). All differential and skew differential ideals of $\\L_n$ are found. It is proved that the set of generic normal elements of $\\L_n$ that are not units forms a single $\\Aut_K(\\L_n)$-orbit (namely, $\\Aut_K(\\L_n)x_1$) if $n$ is even and two...

  16. Derivations and skew derivations of the Grassmann algebras

    E-print Network

    V. V. Bavula

    2007-04-29

    Surprisingly, skew derivations rather than ordinary derivations are more basic (important) object in study of the Grassmann algebras. Let $\\L_n = K\\lfloor x_1, ..., x_n\\rfloor$ be the Grassmann algebra over a commutative ring $K$ with ${1/2}\\in K$, and $\\d$ be a skew $K$-derivation of $\\L_n$. It is proved that $\\d$ is a unique sum $\\d = \\d^{ev} +\\d^{od}$ of an even and odd skew derivation. Explicit formulae are given for $\\d^{ev}$ and $\\d^{od}$ via the elements $\\d (x_1), ..., \\d (x_n)$. It is proved that the set of all even skew derivations of $\\L_n$ coincides with the set of all the inner skew derivations. Similar results are proved for derivations of $\\L_n$. In particular, $\\Der_K(\\L_n)$ is a faithful but not simple $\\Aut_K(\\L_n)$-module (where $K$ is reduced and $n\\geq 2$). All differential and skew differential ideals of $\\L_n$ are found. It is proved that the set of generic normal elements of $\\L_n$ that are not units forms a single $\\Aut_K(\\L_n)$-orbit (namely, $\\Aut_K(\\L_n)x_1$) if $n$ is even and two orbits (namely, $\\Aut_K(\\L_n)x_1$ and $\\Aut_K(\\L_n)(x_1+x_2... x_n)$) if $n$ is odd.

  17. Cytochalasin derivatives from a jellyfish-derived fungus Phoma sp.

    PubMed

    Kim, Eun La; Wang, Haibo; Park, Ju Hee; Hong, Jongki; Choi, Jae Sue; Im, Dong Soon; Chung, Hae Young; Jung, Jee H

    2015-05-15

    Four new cytochalasin derivatives (1-4), together with proxiphomin (5), were isolated from a jellyfish-derived fungus Phoma sp. The planar structures and relative stereochemistry were established by analysis of 1D and 2D NMR data. The absolute configuration was defined by the modified Mosher's method. The compounds showed moderate cytotoxicity against a small panel of human solid tumor cell lines (A549, KB, and HCT116). PMID:25881821

  18. Quinazoline derivatives: synthesis and bioactivities

    PubMed Central

    2013-01-01

    Owing to the significant biological activities, quinazoline derivatives have drawn more and more attention in the synthesis and bioactivities research. This review summarizes the recent advances in the synthesis and biological activities investigations of quinazoline derivatives. According to the main method the authors adopted in their research design, those synthetic methods were divided into five main classifications, including Aza-reaction, Microwave-assisted reaction, Metal-mediated reaction, Ultrasound-promoted reaction and Phase-transfer catalysis reaction. The biological activities of the synthesized quinazoline derivatives also are discussed. PMID:23731671

  19. Complex higher order derivative theories

    SciTech Connect

    Margalli, Carlos A.; Vergara, J. David [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, Mexico 04510 DF (Mexico)

    2012-08-24

    In this work is considered a complex scalar field theory with higher order derivative terms and interactions. A procedure is developed to quantize consistently this system avoiding the presence of negative norm states. In order to achieve this goal the original real scalar high order field theory is extended to a complex space attaching a complex total derivative to the theory. Next, by imposing reality conditions the complex theory is mapped to a pair of interacting real scalar field theories without the presence of higher derivative terms.

  20. 21 CFR 184.1685 - Rennet (animal-derived) and chymosin preparation (fermentation-derived).

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...animal-derived) and chymosin preparation (fermentation-derived). 184.1685 Section...animal-derived) and chymosin preparation (fermentation-derived). (a)(1...4.23.4). It is derived, via fermentation, from a nonpathogenic and...

  1. 21 CFR 184.1685 - Rennet (animal-derived) and chymosin preparation (fermentation-derived).

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...animal-derived) and chymosin preparation (fermentation-derived). 184.1685 Section...animal-derived) and chymosin preparation (fermentation-derived). (a)(1...4.23.4). It is derived, via fermentation, from a nonpathogenic and...

  2. 21 CFR 184.1685 - Rennet (animal-derived) and chymosin preparation (fermentation-derived).

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...animal-derived) and chymosin preparation (fermentation-derived). 184.1685 Section...animal-derived) and chymosin preparation (fermentation-derived). (a)(1...4.23.4). It is derived, via fermentation, from a nonpathogenic and...

  3. 21 CFR 184.1685 - Rennet (animal-derived) and chymosin preparation (fermentation-derived).

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...animal-derived) and chymosin preparation (fermentation-derived). 184.1685 Section...animal-derived) and chymosin preparation (fermentation-derived). (a)(1...4.23.4). It is derived, via fermentation, from a nonpathogenic and...

  4. 21 CFR 184.1685 - Rennet (animal-derived) and chymosin preparation (fermentation-derived).

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...animal-derived) and chymosin preparation (fermentation-derived). 184.1685 Section...animal-derived) and chymosin preparation (fermentation-derived). (a)(1...4.23.4). It is derived, via fermentation, from a nonpathogenic and...

  5. Derivative-Free Optimization Proximal Point Methods Derivative-Free Proximal Point Conclusion Derivative-Free Optimization via Proximal

    E-print Network

    Derivative-Free Optimization Proximal Point Methods Derivative-Free Proximal Point Conclusion Derivative-Free Optimization via Proximal Point Methods Yves Lucet & Warren Hare July 24, 2013 1 / 26 #12;Derivative-Free Optimization Proximal Point Methods Derivative-Free Proximal Point Conclusion Outline 1

  6. Sol-gel derived sorbents

    DOEpatents

    Sigman, Michael E.; Dindal, Amy B.

    2003-11-11

    Described is a method for producing copolymerized sol-gel derived sorbent particles for the production of copolymerized sol-gel derived sorbent material. The method for producing copolymerized sol-gel derived sorbent particles comprises adding a basic solution to an aqueous metal alkoxide mixture for a pH.ltoreq.8 to hydrolyze the metal alkoxides. Then, allowing the mixture to react at room temperature for a precalculated period of time for the mixture to undergo an increased in viscosity to obtain a desired pore size and surface area. The copolymerized mixture is then added to an immiscible, nonpolar solvent that has been heated to a sufficient temperature wherein the copolymerized mixture forms a solid upon the addition. The solid is recovered from the mixture, and is ready for use in an active sampling trap or activated for use in a passive sampling trap.

  7. Magnetic cellulose-derivative structures

    DOEpatents

    Walsh, M.A.; Morris, R.S.

    1986-09-16

    Structures to serve as selective magnetic sorbents are formed by dissolving a cellulose derivative such as cellulose triacetate in a solvent containing magnetic particles. The resulting solution is sprayed as a fine mist into a chamber containing a liquid coagulant such as n-hexane in which the cellulose derivative is insoluble but in which the coagulant is soluble or miscible. On contact with the coagulant, the mist forms free-flowing porous magnetic microspheric structures. These structures act as containers for the ion-selective or organic-selective sorption agent of choice. Some sorption agents can be incorporated during the manufacture of the structure. 3 figs.

  8. Magnetic cellulose-derivative structures

    DOEpatents

    Walsh, Myles A. (Falmouth, MA); Morris, Robert S. (Fairhaven, MA)

    1986-09-16

    Structures to serve as selective magnetic sorbents are formed by dissolving a cellulose derivative such as cellulose triacetate in a solvent containing magnetic particles. The resulting solution is sprayed as a fine mist into a chamber containing a liquid coagulant such as n-hexane in which the cellulose derivative is insoluble but in which the coagulant is soluble or miscible. On contact with the coagulant, the mist forms free-flowing porous magnetic microspheric structures. These structures act as containers for the ion-selective or organic-selective sorption agent of choice. Some sorbtion agents can be incorporated during the manufacture of the structure.

  9. Informational derivation of Quantum Theory

    E-print Network

    G. Chiribella; G. M. D'Ariano; P. Perinotti

    2011-07-15

    Quantum theory can be derived from purely informational principles. Five elementary axioms-causality, perfect distinguishability, ideal compression, local distinguishability, and pure conditioning-define a broad class of theories of information-processing that can be regarded as a standard. One postulate-purification-singles out quantum theory within this class. The main structures of quantum theory, such as the representation of mixed states as convex combinations of perfectly distinguishable pure states, are derived directly from the principles without using the Hilbert space framework.

  10. Empirically derived injury prevention rules.

    PubMed Central

    Peterson, L; Schick, B

    1993-01-01

    This study describes a set of empirically derived safety rules that if followed, would have prevented the occurrence of minor injuries. Epidemiologists have criticized behavioral interventions as increasing "safe" behavior but failing to demonstrate a decrease in injury. The present study documents retrospectively the link between safe behavior and injury. It demonstrates that these empirically derived rules are very similar to rules for the prevention of serious injury. The study also shows that these rules are not widely accepted and implemented by parents. Suggestions for future research in this area are advanced. PMID:8307829

  11. 12 CFR 163.172 - Financial derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  12. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  13. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  14. 12 CFR 163.172 - Financial derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  15. 12 CFR 390.352 - Financial derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  16. 12 CFR 390.352 - Financial derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  17. 12 CFR 163.172 - Financial derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  18. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  19. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  20. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  1. 12 CFR 390.352 - Financial derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...financial derivative is a financial contract whose value...The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage...investment conduit, is not a financial derivative under...

  2. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 2011-07-01 false Bisphenol derivative. 721.1820 Section 721...Chemical Substances § 721.1820 Bisphenol derivative. (a) Chemical substance...chemical substance identified generically as bisphenol derivative (PMN No....

  3. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 2010-07-01 false Bisphenol derivative. 721.1820 Section 721...Chemical Substances § 721.1820 Bisphenol derivative. (a) Chemical substance...chemical substance identified generically as bisphenol derivative (PMN No....

  4. INCREMENTAL APPROACH TO DERIVATIVE POLAROGRAPHY

    Microsoft Academic Search

    Clemens Auerbach; H. L. Finston; George Kissel; Joseph Glickstein

    1961-01-01

    A new approach to direct current polarography is described, which ; provides an incremental approximation to the derivative current-voltage curve. ; Incremental polarograms are determined by a sequence of automatic operations. ; Instrumentation of relatively simple design was built, with extensive use of plug-; in ampllfiers. Provision is made for simultaneous or separate readout of both ; current increments and

  5. Quaternion Derivatives: The GHR Calculus

    E-print Network

    Dongpo Xu; Cyrus Jahanchahi; Clive C. Took; Danilo P. Mandic

    2014-09-25

    Quaternion derivatives in the mathematical literature are typically defined only for analytic (regular) functions. However, in engineering problems, functions of interest are often real-valued and thus not analytic, such as the standard cost function. The HR calculus is a convenient way to calculate formal derivatives of both analytic and non-analytic functions of quaternion variables, however, both the HR and other functional calculus in quaternion analysis have encountered an essential technical obstacle, that is, the traditional product rule is invalid due to the non- commutativity of the quaternion algebra. To address this issue, a generalized form of the HR derivative is proposed based on a general orthogonal system. The so introduced generalization, called the generalized HR (GHR) calculus, encompasses not just the left- and right-hand versions of quaternion derivative, but also enables solutions to some long standing problems, such as the novel product rule, the chain rule, the mean-valued theorem and Taylor's theorem. At the core of the proposed approach is the quaternion rotation, which can naturally be applied to other functional calculi in non-commutative settings. Examples on using the GHR calculus in adaptive signal processing support the analysis.

  6. Hedging Derivative Securities with Genetic

    Microsoft Academic Search

    Programming Shu-Heng Chen; Wo-Chiang Lee; Chia-Hsuan Yeh

    One of the most recent applications of GP to finance is to use genetic program- ming to derive option pricing formulas. Earlier studies take the Black-Scholes model as the true model and use the artificial data generated by it to train and to test GP. The aim of this paper is to provide some initial evidence of the empirical relevance

  7. Program for IIB Derivative Corrections

    E-print Network

    Gordon Chalmers

    2005-11-05

    A Matlab program is presented that computes derivative corrections in the S-dual invariant formulation for IIB graviton scattering to any order in perturbation theory. The coefficients of the four-point function are produced, pertaining to the non-logarithmic terms. The program can be modified to find coefficients of the higher-point functions. Instantons have not explicitly been included.

  8. Shuttle derived unmanned launch vehicle

    Microsoft Academic Search

    D. N. Buell; J. R. Tewell

    1985-01-01

    An unmanned launch vehicle derived using existing Space Transportation System (STS) components was studied. The vehicle incorporates a standard STS external tank and solid rocket boosters, a new payload module and a recoverable propulsion\\/avionics module housing the high cost avionics and propulsion systems. The main propulsion system is a cluster of three STS space shuttle main engines compatible with the

  9. Synthesis of Resorcinol Derived Spironitronates

    PubMed Central

    Marsini, Maurice A.; Huang, Yaodong; Van De Water, Ryan W.; Pettus, Thomas R. R.

    2008-01-01

    Syntheses of several unique spironitronates are reported. The key transformation involves the first known example of an ipso oxidative cyclization of nitro functionality. Oxidation proceeds from both o-and p-phenols. Reductions of these compounds provide novel spiroisoxazoline derivatives. PMID:17645344

  10. Heisenberg Double Versus Deformed Derivatives

    NASA Astrophysics Data System (ADS)

    Škoda, Zoran

    Two approaches to the tangent space of a noncommutative space whose coordinate algebra is the enveloping algebra of a Lie algebra are known: the Heisenberg double construction and the approach via deformed derivatives, usually defined by procedures involving orderings among noncommutative coordinates or equivalently involving realizations via formal differential operators. In an earlier work, we rephrased the deformed derivative approach introducing certain smash product algebra twisting a semicompleted Weyl algebra. We show here that the Heisenberg double in the Lie algebra case, is isomorphic to that product in a nontrivial way, involving a datum ? parametrizing the orderings or realizations in other approaches. This way, we show that the two different formalisms, used by different communities, for introducing the noncommutative phase space for the Lie algebra type noncommutative spaces are mathematically equivalent.

  11. [Morphoregulatory effects of xanthene derivatives].

    PubMed

    Buchenauer, H; Grossmann, F

    1970-03-01

    Of the compounds tested especially xanthene-9-carboxylic acid [I], applied via the roots (10(-4)M), strongly affected the morphogenesis of tomato plants. The leaves were deformed, the laminae reduced, the internodes shortened and the growth of axillary buds was stimulated. Geo- and phototropism of wheat and rye seedlings were disturbed. The observed effects are very similar to the influence of the structurally related derivatives of 9-hydroxyfluorenecarboxylic acid-(9) [II], known as "morphactins". PMID:24496665

  12. Myeloid-Derived Suppressor Cells

    Microsoft Academic Search

    Srinivas Nagaraj; Dmitry I. Gabrilovich

    \\u000a The development of tumor-specific T cell tolerance is largely responsible for tumor escape. Accumulation of myeloid-derived\\u000a suppressor cells (MDSCs) in animal tumor models as well as in cancer patients is involved in tumor-associated T cell tolerance.\\u000a In recent years, it has become increasingly evident that MDSCs bring about antigen-specific T cell tolerance by various mechanisms,\\u000a which is the focus of

  13. Faster Valuation of Financial Derivatives

    Microsoft Academic Search

    Spassimir H. Paskov; Joseph F. Traub

    1995-01-01

    High-dimensional integrals are usually solved with Monte Carlo algorithms although theory suggests that low-discrepancy algorithms are sometimes superior. We report on numerical testing which compares low-discrepancy and Monte Carlo algorithms on the evaluation of financial derivatives. The testing is performed on a Collateralized Mortgage Obligation (CMO) which is formulated as the computation of ten integrals of dimension up to 360.

  14. Chemical derivatives of castor oil

    Microsoft Academic Search

    K. T. Achaya

    1971-01-01

    The chemistry of castor oil and its derivatives is reviewed with particular reference to work done in India in general and\\u000a at the Regional Research Laboratory in Hyderabad in particular. Topics covered are the structure of castor oil, preparation\\u000a of ricinoleic acid and its glycerides, monoglycerides, surfactants from castor oil, diverse hydrogenations, dehydration, preparation\\u000a and properties of estolides, alkali fusion

  15. On Derivations Of Genetic Algebras

    NASA Astrophysics Data System (ADS)

    Mukhamedov, Farrukh; Qaralleh, Izzat

    2014-11-01

    A genetic algebra is a (possibly non-associative) algebra used to model inheritance in genetics. In application of genetics this algebra often has a basis corresponding to genetically different gametes, and the structure constant of the algebra encode the probabilities of producing offspring of various types. In this paper, we find the connection between the genetic algebras and evolution algebras. Moreover, we prove the existence of nontrivial derivations of genetic algebras in dimension two.

  16. Endothelium-derived endothelin-1

    Microsoft Academic Search

    Eric Thorin; David J. Webb

    2010-01-01

    One year after the revelation by Dr. Furchgott in 1980 that the endothelium was obligatory for acetylcholine to relax isolated\\u000a arteries, it was clearly shown that the endothelium could also promote contraction. In 1988, Dr. Yanagisawa's group identified\\u000a endothelin-1 (ET-1) as the first endothelium-derived contracting factor. The circulating levels of this short (21-amino acid)\\u000a peptide were quickly determined in humans,

  17. Comparative Study of Derivative Free Optimization Algorithms

    Microsoft Academic Search

    Nam Pham; A. Malinowski; T. Bartczak

    2011-01-01

    Derivative free optimization algorithms are often used when it is difficult to find function derivatives, or if finding such derivatives are time consuming. The Nelder Mead's simplex method is one of the most popular derivative free optimization algorithms in the fields of engineering, statistics, and sciences. This algorithm is favored and widely used because of its fast con- vergence and

  18. Binder enhanced refuse derived fuel

    DOEpatents

    Daugherty, Kenneth E. (Lewisville, TX); Venables, Barney J. (Denton, TX); Ohlsson, Oscar O. (Naperville, IL)

    1996-01-01

    A refuse derived fuel (RDF) pellet having about 11% or more particulate calcium hydroxide which is utilized in a combustionable mixture. The pellets are used in a particulate fuel bring a mixture of 10% or more, on a heat equivalent basis, of the RDF pellet which contains calcium hydroxide as a binder, with 50% or more, on a heat equivalent basis, of a sulphur containing coal. Combustion of the mixture is effective to produce an effluent gas from the combustion zone having a reduced SO.sub.2 and polycyclic aromatic hydrocarbon content of effluent gas from similar combustion materials not containing the calcium hydroxide.

  19. Myeloid-derived suppressor cells

    PubMed Central

    Chandra, Dinesh; Gravekamp, Claudia

    2013-01-01

    While conventional anticancer therapies, including surgical resection, radiotherapy, and/or chemotherapy, are relatively efficient at eliminating primary tumors, these treatment modalities are largely ineffective against metastases. At least in part, this reflects the rather inefficient delivery of conventional anticancer agents to metastatic lesions. We have recently demonstrated that myeloid-derived suppressor cells (MDSCs) can be used as cellular missiles to selectively deliver a radioisotope-coupled attenuated variant of Listeria monocytogenes to both primary and metastatic neoplastic lesions in mice with pancreatic cancer. This novel immunotherapeutic intervention robustly inhibited tumor growth while promoting a dramatic decrease in the number of metastases. PMID:24427545

  20. Deriving projective hyperspace from harmonic

    SciTech Connect

    Jain, Dharmesh; Siegel, Warren [C. N. Yang Institute for Theoretical Physics, State University of New York, Stony Brook, New York 11794-3840 (United States)

    2009-08-15

    We derive actions for projective N=2 superspace ('hyperspace') from those for harmonic hyperspace, including that for non-Abelian Yang-Mills theory (a new result). The method uses Wick rotation of the sphere from complex conjugate coordinates to real, null ones, which can be treated as independent. The result can be considered 'holographic' in that the dimension of the internal (R symmetry) space is reduced from 2 to 1, by solving equations of motion or gauge conditions for dependence on the other coordinate. The auxiliary nature of the redundant dimension makes the hypergraph rules and evaluation almost identical.

  1. Iron and iron derived radicals

    SciTech Connect

    Borg, D.C.; Schaich, K.M.

    1987-04-01

    We have discussed some reactions of iron and iron-derived oxygen radicals that may be important in the production or treatment of tissue injury. Our conclusions challenge, to some extent, the usual lines of thought in this field of research. Insofar as they are born out by subsequent developments, the lessons they teach are two: Think fastexclamation Think smallexclamation In other words, think of the many fast reactions that can rapidly alter the production and fate of highly reactive intermediates, and when considering the impact of competitive reactions on such species, think how they affect the microenvironment (on the molecular scale) ''seen'' by each reactive molecule. 21 refs., 3 figs., 1 tab.

  2. Fourth order spatial derivative gravity

    E-print Network

    F. S. Bemfica; M. Gomes

    2011-10-12

    In this work we study a modified theory of gravity that contains up to fourth order spatial derivatives as a model for the Horava-Lifshitz gravity. The propagator is evaluated and, as a result, it is obtained one extra pole corresponding to a spin two nonrelativistic massless particle, an extra term which jeopardizes renormalizability, besides the unexpected general relativity unmodified propagator. Then, unitarity is proved at the tree-level, where the general relativity pole has shown to have no dynamics, remaining only the two degrees of freedom of the new pole. Next, the nonrelativistic effective potential is determined from a scattering process of two identical massive gravitationally interacting bosons. In this limit, Newton's potential is obtained, together with a Darwin-like term that comes from the extra non-pole term in the propagator. Regarding renormalizability, this extra term may be harmful, by power counting, but it can be eliminated by adjusting the free parameters of the model. This adjustment is in accord with the detailed balance condition suggested in the literature and shows that the way in which extra spatial derivative terms are added is of fundamental importance.

  3. Shuttle derived unmanned launch vehicle

    NASA Astrophysics Data System (ADS)

    Buell, D. N.; Tewell, J. R.

    1985-04-01

    An unmanned launch vehicle derived using existing Space Transportation System (STS) components was studied. The vehicle incorporates a standard STS external tank and solid rocket boosters, a new payload module and a recoverable propulsion/avionics module housing the high cost avionics and propulsion systems. The main propulsion system is a cluster of three STS space shuttle main engines compatible with the STS launch pad. The orbital maneuvering system utilizes components and the reaction control system incorporates modified STS primary and vernier thrusters. A solid rocket propulsion system made up of six motors having a two second burn time is incorporated for decelerating the recoverable propulsion/avionics module to a soft landing. The sidemount shuttle derived launch vehicle can carry 147,000 pounds to a 150 nautical mile circular orbit from the Eastern Test Range of 104,000 pounds from the Western Test Range. With Centaur G-prime the payload capability to geosynchronous earth orbit is 24,500 pounds. Performance with an optimized upper stage and a stretched external tank was also investigated.

  4. Deriving Laws from Ordering Relations

    NASA Technical Reports Server (NTRS)

    Knuth, Kevin H.

    2004-01-01

    The effect of Richard T. Cox's contribution to probability theory was to generalize Boolean implication among logical statements to degrees of implication, which are manipulated using rules derived from consistency with Boolean algebra. These rules are known as the sum rule, the product rule and Bayes Theorem, and the measure resulting from this generalization is probability. In this paper, I will describe how Cox s technique can be further generalized to include other algebras and hence other problems in science and mathematics. The result is a methodology that can be used to generalize an algebra to a calculus by relying on consistency with order theory to derive the laws of the calculus. My goals are to clear up the mysteries as to why the same basic structure found in probability theory appears in other contexts, to better understand the foundations of probability theory, and to extend these ideas to other areas by developing new mathematics and new physics. The relevance of this methodology will be demonstrated using examples from probability theory, number theory, geometry, information theory, and quantum mechanics.

  5. Derivatives of Black Knight Technology

    NASA Astrophysics Data System (ADS)

    Hill, N.; Wright, D.

    This paper traces the line of descent from Black Knight to Black Arrow, and at the same time looks at various proposed projects, both civil and military, which were to be Black Knight derivatives, but which for one reason or another never saw the light of day. Research in this area is rather akin to anthropological work, tracing fossils from Homo erectus (Black Knight) to Homo sapiens (Black Arrow), knowing that a lot of the fossils found will not be on the direct line of descent, but represent branches that became extinct. This article attempts to cover designs, which, although they never made it to hardware, are none the less interesting technically, or shine light on the evolution of design philosophy.

  6. Deriving Laws from Ordering Relations

    NASA Technical Reports Server (NTRS)

    Knuth, Kevin H.

    2003-01-01

    It took much effort in the early days of non-Euclidean geometry to break away from the mindset that all spaces are flat and that two distinct parallel lines do not cross. Up to that point, all that was known was Euclidean geometry, and it was difficult to imagine anything else. We have suffered a similar handicap brought on by the enormous relevance of Boolean algebra to the problems of our age-logic and set theory. Previously, I demonstrated that the algebra of questions is not Boolean, but rather is described by the free distributive algebra. To get to this stage took much effort, as many obstacles-most self-placed-had to be overcome. As Boolean algebras were all I had ever known, it was almost impossible for me to imagine working with an algebra where elements do not have complements. With this realization, it became very clear that the sum and product rules of probability theory at the most basic level had absolutely nothing to do with the Boolean algebra of logical statements. Instead, a measure of degree of inclusion can be invented for many different partially ordered sets, and the sum and product rules fall out of the associativity and distributivity of the algebra. To reinforce this very important idea, this paper will go over how these constructions are made, while focusing on the underlying assumptions. I will derive the sum and product rules for a distributive lattice in general and demonstrate how this leads to probability theory on the Boolean lattice and is related to the calculus of quantum mechanical amplitudes on the partially ordered set of experimental setups. I will also discuss the rules that can be derived from modular lattices and their relevance to the cross-ratio of projective geometry.

  7. Derivative Sign Patterns in Two Dimensions

    ERIC Educational Resources Information Center

    Schilling, Kenneth

    2013-01-01

    Given a function defined on a subset of the plane whose partial derivatives never change sign, the signs of the partial derivatives form a two-dimensional pattern. We explore what patterns are possible for various planar domains.

  8. 32 CFR 2001.22 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...ADMINISTRATION CLASSIFIED NATIONAL SECURITY INFORMATION Identification and Markings § 2001.22 Derivative classification...example might appear as: Derived From: Memo, “Funding Problems,” October 20, 2008, Office of Administration,...

  9. A study on real estate derivatives

    E-print Network

    Lim, Jong Yoon, S.M. Massachusetts Institute of Technology

    2006-01-01

    All major asset classes including stocks and bonds have a well developed derivative market. Derivatives enable counterparties to reflect a view on a particular market, without having to trade the underlying asset. This ...

  10. Clustering based on Dissimilarity First Derivatives

    E-print Network

    Fred, Ana

    Clustering based on Dissimilarity First Derivatives Ana Fred Telecommunications Institute Instituto Superior Tecnico, Lisbon, Portugal, afred@lx.it.pt Abstract. A hierarchical agglomerative clustering. The first derivative of dissimilarity between neighboring pat- terns inside a natural cluster is modelled

  11. 40 CFR 721.10039 - Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...aminonaphthalenesulfonic acid derivative, ammonium salt (generic). 721.10039 Section 721...aminonaphthalenesulfonic acid derivative, ammonium salt (generic). (a) Chemical substance...aminonaphthalenesulfonic acid derivative, ammonium salt (PMN P-02-514) is subject to...

  12. 40 CFR 721.10039 - Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...aminonaphthalenesulfonic acid derivative, ammonium salt (generic). 721.10039 Section 721...aminonaphthalenesulfonic acid derivative, ammonium salt (generic). (a) Chemical substance...aminonaphthalenesulfonic acid derivative, ammonium salt (PMN P-02-514) is subject to...

  13. 40 CFR 721.10039 - Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...aminonaphthalenesulfonic acid derivative, ammonium salt (generic). 721.10039 Section 721...aminonaphthalenesulfonic acid derivative, ammonium salt (generic). (a) Chemical substance...aminonaphthalenesulfonic acid derivative, ammonium salt (PMN P-02-514) is subject to...

  14. Postgraduate Scholarship Pricing temperature derivatives and modelling

    E-print Network

    Banaji,. Murad

    the volumetric risk of the energy units sold, rather than the price risk of each unit. Weather derivativesPostgraduate Scholarship Pricing temperature derivatives and modelling the market price of risk: Pricing temperature derivatives and modelling the market price of risk. Main Supervisor: A. Alexandridis

  15. Derivations of Relativistic Force Transformation Equations

    Microsoft Academic Search

    D. V. Redži?; D. M. Davidovi?; M. D. Redži?

    2011-01-01

    The correct general form of relativistic transformation equations for the three-vector force is derived without using four-vectors, via the relativistic Newton's second law. The four-vector approach to the problem is also presented. The derivations extend or rectify previous derivations.

  16. Development of the beta-pressure derivative 

    E-print Network

    Hosseinpour-Zoonozi, Nima

    2007-04-25

    The proposed work provides a new definition of the pressure derivative function [that is the �²-derivative function, ��p �²d(t)], which is defined as the derivative of the logarithm of pressure drop data with respect ...

  17. A simple derivation of E = mc^2

    E-print Network

    Peter M. Brown

    2003-08-09

    Einstein's 1905 derivation of E = mc^2 has been criticized for being circular. Although such criticisms have been challenged it is certainly true that the reasoning in Einstein's original derivation is not at all obvious. Einstein's original derivation could have been made clearer. This article describes a clear way of doing so.

  18. Performance analysis of derivative-free filters

    Microsoft Academic Search

    J. Dunik; M. Simandl; O. Straka; L. Kral

    2005-01-01

    Nonlinear state estimation by the derivative-free Sigma Point Kalman Filters is treated. Particularly, impact of the derivative-free Kalman filters on estimation quality of the Sigma Point Gaussian Sum Filters is discussed. New relations between the Unscented Kalman Filter and the Divided Difference Filters are derived. The main stress is laid on the covariance matrixes which have crucial role for the

  19. How Much do Firms Hedge with Derivatives?

    Microsoft Academic Search

    Wayne R. Guay; S. P. Kothari

    2000-01-01

    For 234 large non-financial corporations using derivatives, we report the magnitude of their risk exposure hedged by financial derivatives. If interest rates, currency exchange rates, and commodity prices change simultaneously by three standard deviations, the median firm's derivatives portfolio, at most, generates $15 million in cash and $31 million in value. These amounts are modest relative to firm size, and

  20. Clinical status of benzoporphyrin derivative

    NASA Astrophysics Data System (ADS)

    Levy, Julia G.; Chan, Agnes H.; Strong, H. Andrew

    1996-01-01

    Benzoporphyrin derivative monoacid ring A (BPD) is currently in Phase II clinical trials for the treatment of cutaneous malignancies (basal cell carcinoma and cutaneous metastases) and psoriasis. Results to date suggest that this photosensitizer has potential in both of these areas. Recently, a clinical trial with BPD was initiated for the treatment of age related macular degeneration, a neovascular condition in the eye which leads to blindness. BPD is a lipophilic photosensitizer which is rapidly taken up by activated cells and the vascular endothelium of neovasculature. The PDT effects seen with BPD appear to be a combination of vascular occlusion and direct killing of target cells. Since many diseases involve either activated cells and/or neovasculature, PDT with photosensitizer with characteristics like those of BPD, has applications far wider than oncology. A new area of interest involving photosensitizers is that of immune modulation. A number of photosensitizers have been shown to effect immune modulation in animal models of immune dysfunction including autoimmunity (rheumatoid arthritis, lupus), cutaneous hypersensitivity and allografts. BPD and PHOTOFRINR have both been shown to be effective in ameliorating arthritic symptoms in a number of animal models. The mechanisms by which immune modulation is affected in these studies still remains to be resolved.

  1. Space-Derived Sewer Monitor

    NASA Technical Reports Server (NTRS)

    1982-01-01

    The QuadraScan Longterm Flow Monitoring System is a second generation sewer monitor developed by American Digital Systems, Inc.'s founder Peter Petroff. Petroff, a former spacecraft instrumentation designer at Marshall Space Flight Center, used expertise based on principles acquired in Apollo and other NASA programs. QuadraScan borrows even more heavily from space technology, for example in its data acquisition and memory system derived from NASA satellites. "One-time" measurements are often plagued with substantial errors due to the flow of groundwater absorbed into the system. These system sizing errors stem from a basic informational deficiency: accurate, reliable data on how much water flows through a sewer system over a long period of time is very difficult to obtain. City officials are turning to "permanent," or long-term sewer monitoring systems. QuadraScan offers many advantages to city officials such as the early warning capability to effectively plan for city growth in order to avoid the crippling economic impact of bans on new sewer connections in effect in many cities today.

  2. Representations of partial derivatives in thermodynamics

    NASA Astrophysics Data System (ADS)

    Thompson, John R.; Manogue, Corinne A.; Roundy, David J.; Mountcastle, Donald B.

    2012-02-01

    One of the mathematical objects that students become familiar with in thermodynamics, often for the first time, is the partial derivative of a multivariable function. The symbolic representation of a partial derivative and related quantities present difficulties for students in both mathematical and physical contexts, most notably what it means to keep one or more variables fixed while taking the derivative with respect to a different variable. Material properties are themselves written as partial derivatives of various state functions (e.g., compressibility is a partial derivative of volume with respect to pressure). Research in courses at the University of Maine and Oregon State University yields findings related to the many ways that partial derivatives can be represented and interpreted in thermodynamics. Research has informed curricular development that elicits many of the difficulties using different representations (e.g., geometric) and different contexts (e.g., connecting partial derivatives to specific experiments).

  3. Comparison of Derivative Based and Derivative Free Kalman Filters for Multipath Channel Estimation in CDMA Networks

    Microsoft Academic Search

    Zahid Ali; Mohamed Adnan Landolsi; Mohammad A. Deriche

    2009-01-01

    The paper compares time delay and channel gain estimation for multipath fading code division multiple access (CDMA) signals using the derivative based and derivative free Kalman filters. We will be investigating the performance of the derivative based Kalman filter namely extended Kalman Filter (EKF) with the derivative free sigma point kalman filters (SPKF), namely the unscented Kalman Filter (UKF) and

  4. Plant-derived transfer DNAs.

    PubMed

    Rommens, Caius M; Bougri, Oleg; Yan, Hua; Humara, Jaime M; Owen, Joanna; Swords, Kathy; Ye, Jingsong

    2005-11-01

    The transfer of DNA from Agrobacterium to plant cell nuclei is initiated by a cleavage reaction within the 25-bp right border of Ti plasmids. In an effort to develop all-native DNA transformation vectors, 50 putative right border alternatives were identified in both plant expressed sequence tags and genomic DNA. Efficacy tests in a tobacco (Nicotiana tabacum) model system demonstrated that 14 of these elements displayed at least 50% of the activity of conventional Agrobacterium transfer DNA borders. Four of the most effective plant-derived right border alternatives were found to be associated with intron-exon junctions. Additional elements were embedded within introns, exons, untranslated trailers, and intergenic DNA. Based on the identification of a single right border alternative in Arabidopsis and three in rice (Oryza sativa), the occurrence of this motif was estimated at a frequency of at least 0.8x10(-8). Modification of plasmid DNA sequences flanking the alternative borders demonstrated that both upstream and downstream sequences play an important role in initiating DNA transfer. Optimal DNA transfer required the elements to be preceded by pyrimidine residues interspaced by AC-rich trinucleotides. Alteration of this organization lowered transformation frequencies by 46% to 93%. Despite their weaker resemblance with left borders, right border alternatives also functioned effectively in terminating DNA transfer, if both associated with an upstream A[C/T]T[C/G]A[A/T]T[G/T][C/T][G/T][C/G]A[C/T][C/T][A/T] domain and tightly linked cytosine clusters at their junctions with downstream DNA. New insights in border region requirements were used to construct an all-native alfalfa (Medicago sativa) transfer DNA vector that can be used for the production of intragenic plants. PMID:16244143

  5. Opioid peptide-derived analgesics.

    PubMed

    Schiller, Peter W

    2005-01-01

    Two recent developments of opioid peptide-based analgesics are reviewed. The first part of the review discusses the dermorphin-derived, cationic-aromatic tetrapeptide H-Dmt-D-Arg-Phe-Lys-NH(2) ([Dmt(1)]DALDA, where Dmt indicates 2',6'-dimethyltyrosine), which showed subnanomolar mu receptor binding affinity, extraordinary mu receptor selectivity, and high mu agonist potency in vitro. In vivo, [Dmt(1)]DALDA looked promising as a spinal analgesic because of its extraordinary antinociceptive effect (3000 times more potent than morphine) in the mouse tail-flick assay, long duration of action (4 times longer than morphine), and lack of effect on respiration. Unexpectedly, [Dmt(1)]DALDA also turned out to be a potent and long-acting analgesic in the tail-flick test when given subcutaneously (s.c.), indicating that it is capable of crossing the blood-brain barrier. Furthermore, little or no cross-tolerance was observed with s.c. [Dmt(1)]DALDA in morphine-tolerant mice. The second part of the review concerns the development of mixed mu agonist/delta antagonists that, on the basis of much evidence, are expected to be analgesics with a low propensity to produce tolerance and physical dependence. The prototype pseudopeptide H-Dmt-TicPsi[CH(2)NH]Phe-Phe-NH(2) (DIPP-NH(2)[Psi], where Tic indicates 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid) showed subnanomolar mu and delta receptor binding affinities and the desired mu agonist/delta antagonist profile in vitro. DIPP-NH(2)[Psi] produced a potent analgesic effect after intracerebroventricular administration in the rat tail-flick assay, no physical dependence, and less tolerance than morphine. The results obtained with DIPP-NH(2)[Psi] indicate that mixed mu agonist/delta antagonists look promising as analgesic drug candidates, but compounds with this profile that are systemically active still need to be developed. PMID:16353933

  6. Polystyrene bound oxidovanadium(IV) and dioxidovanadium(V) complexes of histamine derived ligand for the oxidation of methyl phenyl sulfide, diphenyl sulfide and benzoin.

    PubMed

    Maurya, Mannar R; Arya, Aarti; Kumar, Amit; Pessoa, João Costa

    2009-03-28

    Ligand Hsal-his (I) derived from salicylaldehyde and histamine has been covalently bound to chloromethylated polystyrene cross-linked with 5% divinylbenzene. Upon treatment with [VO(acac)(2)] in DMF, the polystyrene-bound ligand (abbreviated as PS-Hsal-his, II) gave the stable polystyrene-bound oxidovanadium(iv) complex PS-[V(IV)O(sal-his)(acac)] , which upon oxidation yielded the dioxidovanadium(v) PS-[V(V)O(2)(sal-his)] complex. The corresponding non polymer-bound complexes [V(IV)O(sal-his)(acac)] and [V(V)O(2)(sal-his)] have also been obtained. These complexes have been characterised by IR, electronic, (51)V NMR and EPR spectral studies, and thermal as well as scanning electron micrograph studies. Complexes and have been used as a catalyst for the oxidation of methyl phenyl sulfide, diphenyl sulfide and benzoin with 30% H(2)O(2) as oxidant. Under the optimised reaction conditions, a maximum of 93.8% conversion of methyl phenyl sulfide with 63.7% selectivity towards methyl phenyl sulfoxide and 36.3% towards methyl phenyl sulfone has been achieved in 2 h with 2 . Under similar conditions, diphenyl sulfide gave 83.4% conversion where selectivity of reaction products varied in the order: diphenyl sulfoxide (71.8%) > diphenyl sulfone (28.2%). A maximum of 91.2% conversion of benzoin has been achieved within 6 h, and the selectivities of reaction products are: methylbenzoate (37.0%) > benzil (30.5%) > benzaldehyde-dimethylacetal (22.5%) > benzoic acid (8.1%). The PS-bound complex, 1 exhibits very comparable catalytic potential. These polymer-anchored heterogeneous catalysts do not leach during catalytic action, are recyclable and show higher catalytic activity and turnover frequency than the corresponding non polymer-bound complexes. EPR and (51)V NMR spectroscopy was used to characterise methanolic solutions of 3 and 4 and to identify species formed upon addition of H(2)O(2) and/or acid and/or methyl phenyl sulfide. PMID:19274297

  7. Drug Nanoparticle Formulation Using Ascorbic Acid Derivatives

    PubMed Central

    Moribe, Kunikazu; Limwikrant, Waree; Higashi, Kenjirou; Yamamoto, Keiji

    2011-01-01

    Drug nanoparticle formulation using ascorbic acid derivatives and its therapeutic uses have recently been introduced. Hydrophilic ascorbic acid derivatives such as ascorbyl glycoside have been used not only as antioxidants but also as food and pharmaceutical excipients. In addition to drug solubilization, drug nanoparticle formation was observed using ascorbyl glycoside. Hydrophobic ascorbic acid derivatives such as ascorbyl mono- and di-n-alkyl fatty acid derivatives are used either as drugs or carrier components. Ascorbyl n-alkyl fatty acid derivatives have been formulated as antioxidants or anticancer drugs for nanoparticle formulations such as micelles, microemulsions, and liposomes. ASC-P vesicles called aspasomes are submicron-sized particles that can encapsulate hydrophilic drugs. Several transdermal and injectable formulations of ascorbyl n-alkyl fatty acid derivatives were used, including ascorbyl palmitate. PMID:21603195

  8. Novel oxindole derivatives and their biological activity.

    PubMed

    Strigácová, J; Hudecová, D; Mikulásová, M; Varecka, L; Lásiková, A; Végh, D

    2001-01-01

    The antifungal activity of fourteen novel derivatives of oxindole with side chain was studied using representatives of toxinogenic, phytopathogenic and dermatophytic filamentous fungi. Derivatives with exocyclic C=C bond in position C-3 exhibited a higher antifungal activity compared with derivatives with an exocyclic C-C bond in the same position. The strongest antifungal effects were shown by 3-(-2-thienoylmethylidene)-indol-2(3H)-ones. PMID:11702401

  9. Adsorption and desorption of cellulose derivatives

    Microsoft Academic Search

    C. W. Hoogendam

    1998-01-01

    Cellulose derivatives, in particular carboxymethyl cellulose (CMC) are used in many (industrial) applications. The aim of this work is to obtain insight into the adsorption mechanism of cellulose derivatives on solid-liquid interfaces.In chapter 1<\\/strong> of this thesis we discuss some applications of cellulose derivatives. Application of CMC in pelleting of iron ore and in papermaking and the role of adsorption

  10. Biosynthesis and biotechnological production of serotonin derivatives

    Microsoft Academic Search

    Kiyoon Kang; Sangkyu Park; Young Soon Kim; Sungbeom Lee; Kyoungwhan Back

    2009-01-01

    Serotonin derivatives belong to a class of phenylpropanoid amides found at low levels in a wide range of plant species. Representative\\u000a serotonin derivatives include feruloylserotonin (FS) and 4-coumaroylserotonin (CS). Since the first identification of serotonin\\u000a derivatives in safflower seeds, their occurrence, biological significance, and pharmacological properties have been reported.\\u000a Recently, serotonin N-hydroxycinnamoyl transferase (SHT), which is responsible for the synthesis

  11. A nonlinear two compartmental fractional derivative model

    Microsoft Academic Search

    Jovan K. Popovi?; Diana Doli?anin; Milan R. Rapai?; Stevan Pilipovic; Teodor M. Atanackovi?

    This study presents a new nonlinear two compartmental model and its application to the evaluation of valproic acid (VPA) pharmacokinetics\\u000a in human volunteers after oral administration. We have used literature VPA concentrations. In the model, the integer order\\u000a derivatives are replaced by derivatives of real order often called fractional order derivatives. Physically that means that\\u000a the history (memory) of a

  12. Early alternative derivations of Fechner's law.

    PubMed

    Masin, Sergio Cesare; Zudini, Verena; Antonelli, Mauro

    2009-01-01

    Historians of psychology, notably Boring, fostered Fechner's idea that Weber's law is the indispensable basis for the derivation of the logarithmic psychophysical law. However, it is shown here that Bernoulli in 1738 and Thurstone in 1931 derived the logarithmic law using principles other than Weber's law and that Fechner and Thurstone based their derivations on the principles originally employed by Bernoulli. It is concluded that awareness of researchers about Bernoulli's and Thurstone's derivations could expand the directions of research on the form of the psychophysical law. (c) 2009 Wiley Periodicals, Inc. PMID:19137615

  13. Mantle derived economic sulfide mineralization?

    NASA Astrophysics Data System (ADS)

    Krivolutskaya, Nadezda; Gongalskiy, Bronislav; Svirskaya, Natalia

    2014-05-01

    Sulfide ores of the unique Pt-Cu-Ni Noril'sk deposits are characterized by heavy sulfur isotopic composition (d34S = 6-18 ‰ ; Grinenko, 1985). These data are traditionally explained by the crustal contamination of the mantle melts by Devonian sedimentary rocks with anhydrites at certain depths or in a chamber of crystallization (Naldrett, 1992; Li et al., 2009). However, data on the distribution of major and trace elements and isotopic composition (their eNd, 87Sr/86Sr, d34S) in the contact zones of the intrusions with the host rocks are at variance with any significant in-situ contamination. Moreover , the mechanism of the "digestion" of this high-temperature material (Tm = 1430ºC) by the lower temperature magma (1250ºC) has never been analyzed and questioned. Our pioneering data on the sulfur radiogenic isotopes in the anhydrite are in conflict with the hypothesis that this mineral could serve as a sulfur source for the Noril'sk ores. The fact that the average composition of the intrusions is independent on the stratigraphic setting of these intrusions, which can be hosted by limestone, sandstone, and/or basalt, provides further support for the idea that no assimilation took place at the depths of the chambers in which the melts crystallized.The reason for the heavy sulfur isotopic composition of ores in the Noril'sk district is still uncertain. Last data obtained on the sulfur isotopic composition of basalts and ores from some intrusions in the Taimyr Peninsula likely provide a clue to this problem. The highest d34S values in rocks of all of the trap formations were detected in the Gudchikhinsky picrites (d34S = +8,7; Ripley et al., 2003) formed from a primitive mantle magma. They are geochemically similar to the rocks from the Dyumtaleysky Massif (d34S = 12.2; Krivolutskaya and Gongalsky, 2013) which crystallized from a primitive mantle-derived magma (with no Ta-Nb and Pb anomalies and high Gd/Yb ratio) too. This intrusion comprises economic important sulfide ores with geochemical and mineralogical characteristics similar to unique Noril'sk deposits - Talnakh, Okty'abr sky and Norilsk 1. The features of the Dyumtaleysky massif can be explained by its origin from an unusual sulfide-bearing mantle source that had sulfides through earlier crustal-mantle interaction. These data support that the mantle source of magmas in the Noril'sk district was enriched in the heavy sulfur isotope. It is the age difference that could be responsible for the unusual composition of the Noril'sk ores, because the mantle source in the Early Mesozoic was remarkably different from that in the Proterozoic one, when practically all Cu-Ni deposits worldwide were produced.

  14. Cluster algebras and derived categories Bernhard Keller

    E-print Network

    Keller, Bernhard - Institut de Mathématiques de Jussieu, Université Paris 7

    Cluster algebras and derived categories Bernhard Keller Abstract. This is an introductory survey on cluster algebras and their (additive) cat- egorification using derived categories of Ginzburg algebras. After a gentle introduction to cluster combinatorics, we review important examples of coordinate rings

  15. Seamount resolution in satellite-derived bathymetry

    Microsoft Academic Search

    Peter Etnoyer

    2005-01-01

    I compare satellite-derived global relief data on 13 seamounts in the northeast Pacific Ocean to echosounder-derived multibeam values from the Gulf of Alaska Seamount Expeditions and the West Coast Seamounts and Ridges Multibeam Surveys for peak height, latitude, longitude, and midsection area. I find Smith and Sandwell's (1997) global sea floor topography relatively accurate for peak geoposition but generally deeper

  16. Derive Workshop Matrix Algebra and Linear Algebra.

    ERIC Educational Resources Information Center

    Townsley Kulich, Lisa; Victor, Barbara

    This document presents the course content for a workshop that integrates the use of the computer algebra system Derive with topics in matrix and linear algebra. The first section is a guide to using Derive that provides information on how to write algebraic expressions, make graphs, save files, edit, define functions, differentiate expressions,…

  17. Equity and Equity Index Derivatives Trading Strategies

    E-print Network

    Weinberger, Hans

    Omega (Leverage Effect) #12;Strategies for Stock Options and Equity Index Options 47 Trading Strategiese u r e x Equity and Equity Index Derivatives Trading Strategies e u r e x #12;Please Note and corresponding preparatory material. #12;e u r e x Equity and Equity Index Derivatives Trading Strategies #12

  18. Aging and rejuvenation with fractional derivatives

    NASA Astrophysics Data System (ADS)

    Aquino, Gerardo; Bologna, Mauro; Grigolini, Paolo; West, Bruce J.

    2004-09-01

    We discuss a dynamic procedure that makes fractional derivatives emerge in the time asymptotic limit of non-Poisson processes. We find that two-state fluctuations, with an inverse power-law distribution of waiting times, finite first moment, and divergent second moment, namely, with the power index ? in the interval 2derivative term. We show that the order of the fractional derivative depends on the age of the process under study. If the system is infinitely old, the order of the fractional derivative, o , is given by o=3-? . A brand new system is characterized by the degree o=?-2 . If the system is prepared at time -ta<0 and the observation begins at time t=0 , we derive the following scenario. For times 0derivative with o=3-? . Upon time increase the system undergoes a rejuvenation process that in the time limit t?ta yields o=?-2 . The intermediate time regime is probably incompatible with a picture based on fractional derivatives, or, at least, with a mono-order fractional derivative.

  19. Dihydrochalcones and phenanthrene derivatives from Fissistigma bracteolatum

    Microsoft Academic Search

    Zhu Hongping; Lu Xiaoling; Sun Xiaohong; Xu Qiangzhi; Jiao Binghua

    2010-01-01

    Three dihydrochalcones derivatives 1-3, flavone 4 and phenanthrene derivative 5 were isolated, together with 9 known compounds, from the air-dried root bark of Fissistigma bracteolatum Chatterjee. Their structures were determined by spectroscopic (NMR, MS) and chemical methodologies.

  20. Orchard navigation using derivative free Kalman filtering

    Microsoft Academic Search

    Soren Hansen; Enis Bayramoglu; Jens Christian Andersen; Ole Ravn; Nils Andersen; Niels Kjolstad Poulsen

    2011-01-01

    This paper describes the use of derivative free filters for mobile robot localization and navigation in an orchard. The localization algorithm fuses odometry and gyro measurements with line features representing the surrounding fruit trees of the orchard. The line features are created on basis of 2D laser scanner data by a least square algorithm. The three derivative free filters are

  1. Phenolic-resin-derived activated carbons

    Microsoft Academic Search

    S. R. Tennison

    1998-01-01

    A novel binderless preparative route is described for the production of phenolic-resin-derived carbons for use as catalyst supports and adsorbents. The carbons can be produced in a wide variety of physical forms ranging from simple granules to large monolithic structures. The fully interconnected macropore structure of the carbons, which derives from the interconnected voids between the primary resin particles, can

  2. Log and Exponential Derivatives Here are the formulas for the derivatives of ln x and ex

    E-print Network

    Ikenaga, Bruce

    of these cases, d dx ln(stuff) = (the derivative of stuff) (stuff) . Example. (Logarithmic differentiation) . d dx ecot x = -(csc x)2 ecot x . d dx e1/x = - 1 x2 e1/x . In all of these cases, d dx e(stuff) = (the derivative of stuff)e(stuff) . You can use the formula for the derivative of ln x to derive

  3. Risk management, derivatives and shariah compliance

    NASA Astrophysics Data System (ADS)

    Bacha, Obiyathulla Ismath

    2013-04-01

    Despite the impressive growth of Islamic Banking and Finance (IBF), a number of weaknesses remain. The most important of this is perhaps the lack of shariah compliant risk management tools. While the risk sharing philosophy of Islamic Finance requires the acceptance of risk to justify returns, the shariah also requires adherents to avoid unnecessary risk-maysir. The requirement to avoid maysir is in essence a call for the prudent management of risk. Contemporary risk management revolves around financial engineering, the building blocks of which are financial derivatives. Despite the proven efficacy of derivatives in the management of risk in the conventional space, shariah scholars appear to be suspicious and uneasy with their use in IBF. Some have imposed outright prohibition of their use. This paper re-examines the issue of contemporary derivative instruments and shariah compliance. The shariah compatibility of derivatives is shown in a number of ways. First, by way of qualitative evaluation of whether derivatives can be made to comply with the key prohibitions of the sharia. Second, by way of comparing the payoff profiles of derivatives with risk sharing finance and Bai Salam contracts. Finally, the equivalence between shariah compliant derivatives like the IPRS and Islamic FX Currency Forwards with conventional ones is presented.

  4. Novel oxindole derivatives and their biological activity

    Microsoft Academic Search

    J. Strigácová; D. Hudecová; M. Mikulášová; L'. Vare?ka; A. Lásiková; D. Végh

    2001-01-01

    The antifungal activity of fourteen novel derivatives of oxindole with side chain was studied using representatives of toxinogenic,\\u000a phytopathogenic and dermatophytic filamentous fungi. Derivatives with exocyclic C=C bond in position C-3 exhibited a higher\\u000a antifungal activity compared with derivatives with an exocyclic C?C bond in the same position. The strongest antifungal effects\\u000a were shown by 3-(-2-thienoylmethylidene)-indol-2(3H)-ones.

  5. The Theory of Quaternion Matrix Derivatives

    NASA Astrophysics Data System (ADS)

    Xu, Dongpo; Mandic, Danilo P.

    2015-03-01

    A systematic theory is introduced for calculating the derivatives of quaternion matrix function with respect to quaternion matrix variables. The proposed methodology is equipped with the matrix product rule and chain rule and it is able to handle both analytic and nonanalytic functions. This corrects a flaw in the existing methods, that is, the incorrect use of the traditional product rule. In the framework introduced, the derivatives of quaternion matrix functions can be calculated directly without the differential of this function. Key results are summarized in tables. Several examples show how the quaternion matrix derivatives can be used as an important tool for solving problems related to signal processing.

  6. Analysis and the Derivation of Valid Objectives

    ERIC Educational Resources Information Center

    Tiemann, Philip W.

    1973-01-01

    Author states that "to the extent that behavioral objectives are derived from an analysis of relatively broad objectives, they can serve as valid criteria which enable our students to avoid trivia." (Author)

  7. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION CLASSIFICATION AND DECLASSIFICATION...classified, and marking the newly developed material consistent with the marking of the...classification markings derived from source material or as directed by a classification...

  8. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION CLASSIFICATION AND DECLASSIFICATION...classified, and marking the newly developed material consistent with the marking of the...classification markings derived from source material or as directed by a classification...

  9. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION CLASSIFICATION AND DECLASSIFICATION...classified, and marking the newly developed material consistent with the marking of the...classification markings derived from source material or as directed by a classification...

  10. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION CLASSIFICATION AND DECLASSIFICATION...classified, and marking the newly developed material consistent with the marking of the...classification markings derived from source material or as directed by a classification...

  11. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION CLASSIFICATION AND DECLASSIFICATION...classified, and marking the newly developed material consistent with the marking of the...classification markings derived from source material or as directed by a classification...

  12. SCM Forcing Data Derived from NWP Analyses

    SciTech Connect

    Jakob, Christian

    2008-01-15

    Forcing data, suitable for use with single column models (SCMs) and cloud resolving models (CRMs), have been derived from NWP analyses for the ARM (Atmospheric Radiation Measurement) Tropical Western Pacific (TWP) sites of Manus Island and Nauru.

  13. Direct synthesis of pyridine and pyrimidine derivatives

    E-print Network

    Hill, Matthew D. (Matthew Dennis)

    2008-01-01

    I. Synthesis of Substituted Pyridine Derivatives via the Ruthenium-Catalyzed Cycloisomerization of 3-Azadienynes. The two-step conversion of various N-vinyl and N-aryl amides to the corresponding substituted pyridines and ...

  14. Catalytic combustion of coal-derived liquids

    NASA Technical Reports Server (NTRS)

    Bulzan, D. L.; Tacina, R. R.

    1981-01-01

    A noble metal catalytic reactor was tested with three grades of SRC 2 coal derived liquids, naphtha, middle distillate, and a blend of three parts middle distillate to one part heavy distillate. A petroleum derived number 2 diesel fuel was also tested to provide a direct comparison. The catalytic reactor was tested at inlet temperatures from 600 to 800 K, reference velocities from 10 to 20 m/s, lean fuel air ratios, and a pressure of 3 x 10 to the 5th power Pa. Compared to the diesel, the naphtha gave slightly better combustion efficiency, the middle distillate was almost identical, and the middle heavy blend was slightly poorer. The coal derived liquid fuels contained from 0.58 to 0.95 percent nitrogen by weight. Conversion of fuel nitrogen to NOx was approximately 75 percent for all three grades of the coal derived liquids.

  15. Confidence Measures Derived from an Acceptor HMM 

    E-print Network

    Williams, Gethin; Renals, Steve

    In this paper we define a number of confidence measures derived from an acceptor HMM and evaluate their performance for the task of utterance verification using the North American Business News (NAB) and Broadcast News ...

  16. Tri and tetrahydroxycoumarin derivatives from Tetraphis pellucida

    Microsoft Academic Search

    Marion Jung; Hans Geiger; Hans Dietmar Zinsmeister

    1995-01-01

    From gametophytes of Tetraphis pellucida have been isolated eight different tri- and tetrahydroxycoumarin derivatives; three of them are new natural products, the structures of which were elucidated spectroscopically. The taxonomic relevance of the results is discussed.

  17. SCM Forcing Data Derived from NWP Analyses

    DOE Data Explorer

    Jakob, Christian

    Forcing data, suitable for use with single column models (SCMs) and cloud resolving models (CRMs), have been derived from NWP analyses for the ARM (Atmospheric Radiation Measurement) Tropical Western Pacific (TWP) sites of Manus Island and Nauru.

  18. Casimir Energy Associated With Fractional Derivative Field

    SciTech Connect

    Lim, S. C. [Faculty of Engineering, Multimedia University, Cyberjaya 63100, Selangor (Malaysia)

    2007-04-28

    Casimir energy associated with fractional derivative scalar massless field at zero and positive temperature can be obtained using the regularization based on generalized Riemann zeta function of Epstein-Hurwitz type.

  19. Perspectives on Biologically Active Camptothecin Derivatives.

    PubMed

    Liu, Ying-Qian; Li, Wen-Qun; Morris-Natschke, Susan L; Qian, Keduo; Yang, Liu; Zhu, Gao-Xiang; Wu, Xiao-Bing; Chen, An-Liang; Zhang, Shao-Yong; Nan, Xiang; Lee, Kuo-Hsiung

    2015-07-01

    Camptothecins (CPTs) are cytotoxic natural alkaloids that specifically target DNA topoisomerase I. Research on CPTs has undergone a significant evolution from the initial discovery of CPT in the late 1960s through the study of synthetic small-molecule derivatives to investigation of macromolecular constructs and formulations. Over the past years, intensive medicinal chemistry efforts have generated numerous CPT derivatives. Three derivatives, topotecan, irinotecan, and belotecan, are currently prescribed as anticancer drugs, and several related compounds are now in clinical trials. Interest in other biological effects, besides anticancer activity, of CPTs is also growing exponentially, as indicated by the large number of publications on the subject during the last decades. Therefore, the main focus of the present review is to provide an ample but condensed overview on various biological activities of CPT derivatives, in addition to continued up-to-date coverage of anticancer effects. PMID:25808858

  20. Formal Derivation of a Class of Computers 

    E-print Network

    Wang, Li-Guo

    The aim of this thesis is to investigate how to use logic-based specification, construction, and proof methods to formally derive a class of computers. Differing from the traditional concepts of specification, verification ...

  1. Derived Bracket Construction and Manin Products

    Microsoft Academic Search

    Kyousuke Uchino

    2010-01-01

    We will extend the classical derived bracket construction to any algebra over a binary quadratic operad. We will show that\\u000a the derived product construction is a functor given by the Manin white product with the operad of permutation algebras. As\\u000a an application, we will show that the operad of prePoisson algebras is isomorphic to the Manin black product of the

  2. Derived versus full name brand extensions

    Microsoft Academic Search

    Sergio Olavarrieta; Eduardo Torres; Arturo Vásquez-Parraga; Cristóbal Barra

    2009-01-01

    Most brand extension studies follow the assumption that brand extensions use the full original parent brand name (e.g., Oral-B tooth brush may extend to Oral-B dental floss). However, some companies use derived brand names in their brand extension strategies (e.g. Nestea Iced Tea). This study explores the advantages and disadvantages of derived brand extensions compared to full name extensions. The

  3. On Higher Spatial Derivative Field Theories

    E-print Network

    Pedro R. S. Gomes; M. Gomes

    2012-04-23

    In this work, we employ renormalization group methods to study the general behavior of field theories possessing anisotropic scaling in the spacetime variables. The Lorentz breaking symmetry that accompanies these models are either soft, if no higher spatial derivative is present, or it may have a more complex structure if higher spatial derivatives are also included. Both situations are discussed in models with only scalar fields and also in models with fermions as a Yukawa like model.

  4. Derivation of mouse embryonic stem cells

    Microsoft Academic Search

    Vít?zslav Bryja; Sonia Bonilla; Ernest Arenas

    2006-01-01

    Here we describe a simple and efficient protocol for derivation of germline chimera-competent mouse embryonic stem cells (mESCs) from embryonic day 3.5 (E3.5) blastocysts. The protocol involves the use of early-passage mouse embryonic fibroblast feeders (MEF) and the alternation of fetal bovine serum– and serum replacement (SR)–containing media. As compared to other available protocols for mESCs derivation, our protocol differs

  5. Derivatives of the H-function

    NASA Astrophysics Data System (ADS)

    Viik, Tonu

    1993-06-01

    The first two derivatives and the mixed derivative of the H-function with respect to the angular variable and the albedo of single scattering are studied in the case of isotropic scattering using the kernel approximation method. This allows to obtain simple formulae the accuracy of which is estimated to be very good in rather low orders of approximation. Some samples of numerical results are given with eight decimal accuracy.

  6. Pyrogallol derivatives as antioxidants for carotene

    Microsoft Academic Search

    E. M. Bickoff; G. M. Coppinger; A. L. Livingston; Tod W. Campbell

    1952-01-01

    Conclusions  Certain derivatives of pyrogallol have been shown to possess marked activity as antioxidants for carotene in some systems\\u000a while they are of little value in others. Thus all the derivatives which are more effective than pyrogallol in protecting\\u000a carotene in mineral oil are very much less effective than pyrogallol in lard and, with two exceptions, are also less effective\\u000a in

  7. Nonlinear optical properties of xanthone derivatives

    NASA Astrophysics Data System (ADS)

    Imanishi, Yasuo; Itoh, Yuzo; Kakuta, Atsushi; Mukoh, Akio

    1991-03-01

    Xanthone derivatives have been found to be new organic nonlinear materials with a high efficiency of second harmonic generation (SHG) and transparency in visible region. For example, 3-aminoxanthone had a high SHG activity (SHG emission of this sample was 1 3 times higher than that of urea ) and good thermal stability (mp=232 C ) . A single crystal of this sample was transparent above 430nm. The SHG properties for other xanthone derivatives were also investigated.

  8. Asymptotic safety in higher-derivative gravity

    E-print Network

    Dario Benedetti; Pedro F. Machado; Frank Saueressig

    2009-07-07

    We study the non-perturbative renormalization group flow of higher-derivative gravity employing functional renormalization group techniques. The non-perturbative contributions to the $\\beta$-functions shift the known perturbative ultraviolet fixed point into a non-trivial fixed point with three UV-attractive and one UV-repulsive eigendirections, consistent with the asymptotic safety conjecture of gravity. The implication of this transition on the unitarity problem, typically haunting higher-derivative gravity theories, is discussed.

  9. Neutron stars in the derivative coupling model

    Microsoft Academic Search

    N. K. Glendenning; F. Weber; S. A. Moszkowski

    1992-01-01

    Properties of neutron stars derived from the hybrid derivative coupling model of nuclear field theory are studied. Generalized beta equilibrium with all baryon types to convergence is allowed. Hyperon couplings compatible with the inferred binding energy of the lambda hyperon in saturated nuclear matter predict a large hyperon population, with neutrons having a bare majority population in a 1.5{ital M}{sub

  10. Paired electrochemical synthesis of new organosulfone derivatives

    Microsoft Academic Search

    D. Nematollahi; F. Varmaghani

    2008-01-01

    Electrochemical oxidation of “cathodically generated 4-aminocatechol (2)” has been studied in the presence of 4-toluenesulfinic acid (4a) and benzenesulfinic acid (4b) as nucleophiles in aqueous solutions, using cyclic voltammetry and controlled-potential coulometry. The results indicate that the o-benzoquinone derived from 4-aminocatechol (2) participates in Michael addition reaction with 4a or 4b to form the corresponding new organosulfone derivatives (5a and

  11. 2-Hydr­oxy-5-nitro­benzaldehyde 2,4-dinitro­phenyl­hydrazone

    PubMed Central

    A. Tameem, Abdassalam; Saad, Bahruddin; Salhin, Abdussalam M.; Jebas, Samuel Robinson; Fun, Hoong-Kun

    2008-01-01

    In the title compound, C13H9N5O7, one of the nitro groups is twisted away from the attached benzene ring by 16.21?(8)°. The dihedral angle between the two benzene rings is 4.63?(1)°. The mol­ecular structure is stabilized by intra­molecular N—H?O and O—H?N hydrogen bonds which generate an S(6) ring motif. The mol­ecules pack as layers parallel to the ab plane; mol­ecules of adjacent layers are linked into chains along the [101] direction through N—H?O hydrogen bonds. PMID:21202072

  12. Rationalization of Anomalous Nonlinear Effects in the Alkylation of Substituted Benzaldehydes

    E-print Network

    Walsh, Patrick J.

    morpholino variant MIB5,6 (Scheme 1a). Noyori and co-workers have carried out extensive mechanistic electron-withdrawing substituents. These results are in constrast to Noyori's model, and the present paper demon- strates how a modification to the Noyori model can rationalize these observations. This work

  13. Effect of deuterium substitution on the triplet state dipole moments of substituted benzaldehydes

    NASA Astrophysics Data System (ADS)

    Winkler, I. C.; Hanson, D. M.

    1984-11-01

    The laser induced phosphorescence excitation spectra of 2, 4, 5-trimethylbenzaldehyde -1h1 and-1d1, and 2, 5-dimethylbenzaldehyde -1h1 and -1d1 isolated in durene single crystals have been obtained, and the dipole moment difference vectors associated with the bands identified, from their intensities and positions in the spectra, as the T1 and T2 origins have been measured. Since the data indicate that the T2 origin is mixed with T1 vibronic levels, the symbol T2 is used only as a convenient label. The T2 band of TMB shifts 26 cm-1 to the red upon deuteration, and the corresponding band in DMB shifts 36 cm-1 to the blue. The magnitude of the dipole moment difference vector found for this band is +1.2 D in TMB and -2.0 D in DMB. The spectral shifts upon deuteration and these dipole moment difference values both are consistent with the T2 band in TMB being predominantly ??* in character and the T2 band in DMB being predominantly n?*. Upon deuteration, the dipole moment difference vector decreases for TMB and appears to increase for DMB. These variations may indicate that the coupling of the T2 origin with the T1 vibronic levels decreases in TMB and increases in DMB upon substitution of deuterium for the aldehydic hydrogen. No deuterium isotope effect on the dipole moment difference vectors for the T1 origin bands of these molecules was observed.

  14. Variation of dipole moments with triplet state energy spacings in substituted benzaldehydes

    NASA Astrophysics Data System (ADS)

    Winkler, I. C.; Hanson, David M.

    1983-04-01

    Recent studies of the Stark effect on bands in the laser induced phosphorescence excitation spectrum of 2,4,5-trimethylbenzaldehyde, isolated in a durene single crystal, revealed that the dipole moment associated with the most intense feature in the spectrum, believed to arise from the T2(n?*) state, was the same within experimental uncertainty as that for the T1(??*) origin. This result may indicate that the T2(n?*) state is strongly coupled to a set of nearby T1(??*) vibronic levels. In order to evaluate the effect of the density of ??* vibronic levels on the dipole moment of the T2(n?*) state, we have made similar measurements on 2,4- and on 2,5-dimethylbenzaldehyde. We have found that as the T1-T2 energy spacing decreases, the dipole moment of the second triplet state becomes more characteristic of an n?* state.

  15. 2,4-Dichloro­benzaldehyde 4-methyl­thio­semicarbazone

    PubMed Central

    Li, Rongchun

    2011-01-01

    The mol­ecule of the title compound, C9H9Cl2N3S, has an E configuration about the C=N bond. In the crystal, mol­ecules are linked through inter­molecular N—H?S hydrogen bonds, forming zigzag chains along the a axis. PMID:21522701

  16. Analytic computation of energy derivatives - Relationships among partial derivatives of a variationally determined function

    NASA Technical Reports Server (NTRS)

    King, H. F.; Komornicki, A.

    1986-01-01

    Formulas are presented relating Taylor series expansion coefficients of three functions of several variables, the energy of the trial wave function (W), the energy computed using the optimized variational wave function (E), and the response function (lambda), under certain conditions. Partial derivatives of lambda are obtained through solution of a recursive system of linear equations, and solution through order n yields derivatives of E through order 2n + 1, extending Puley's application of Wigner's 2n + 1 rule to partial derivatives in couple perturbation theory. An examination of numerical accuracy shows that the usual two-term second derivative formula is less stable than an alternative four-term formula, and that previous claims that energy derivatives are stationary properties of the wave function are fallacious. The results have application to quantum theoretical methods for the computation of derivative properties such as infrared frequencies and intensities.

  17. Structure Activity Relationship of Brevenal Hydrazide Derivatives

    PubMed Central

    Goodman, Allan; McCall, Jennifer R.; Jacocks, Henry M.; Thompson, Alysha; Baden, Daniel; Abraham, William M.; Bourdelais, Andrea

    2014-01-01

    Brevenal is a ladder frame polyether produced by the dinoflagellate Karenia brevis. This organism is also responsible for the production of the neurotoxic compounds known as brevetoxins. Ingestion or inhalation of the brevetoxins leads to adverse effects such as gastrointestinal maladies and bronchoconstriction. Brevenal shows antagonistic behavior to the brevetoxins and shows beneficial attributes when administered alone. For example, in an asthmatic sheep model, brevenal has been shown to increase tracheal mucosal velocity, an attribute which has led to its development as a potential treatment for Cystic Fibrosis. The mechanism of action of brevenal is poorly understood and the exact binding site has not been elucidated. In an attempt to further understand the mechanism of action of brevenal and potentially develop a second generation drug candidate, a series of brevenal derivatives were prepared through modification of the aldehyde moiety. These derivatives include aliphatic, aromatic and heteroaromatic hydrazide derivatives. The brevenal derivatives were tested using in vitro synaptosome binding assays to determine the ability of the compounds to displace brevetoxin and brevenal from their native receptors. A sheep inhalation model was used to determine if instillation of the brevenal derivatives resulted in bronchoconstriction. Only small modifications were tolerated, with larger moieties leading to loss of affinity for the brevenal receptor and bronchoconstriction in the sheep model. PMID:24686558

  18. Derivation of mouse embryonic stem cells.

    PubMed

    Bryja, Vítezslav; Bonilla, Sonia; Arenas, Ernest

    2006-01-01

    Here we describe a simple and efficient protocol for derivation of germline chimera-competent mouse embryonic stem cells (mESCs) from embryonic day 3.5 (E3.5) blastocysts. The protocol involves the use of early-passage mouse embryonic fibroblast feeders (MEF) and the alternation of fetal bovine serum- and serum replacement (SR)-containing media. As compared to other available protocols for mESCs derivation, our protocol differs in the combination of commercial availability of all reagents, technical simplicity and high efficiency. mESC lines are derived with approximately 50% efficiency (50 independent mESC lines derived from 96 blastocysts). We believe that this protocol could be a good starting point for (i) setting up the derivation of mESC lines in a laboratory and (ii) incorporating further steps to improve efficiency or adapt the protocol to other applications. The whole process (from blastocyst extraction to the freezing of mESC line) usually takes between 15 and 20 d. PMID:17487198

  19. Novel benzimidazole derivatives as expected anticancer agents.

    PubMed

    Nofal, Zienab M; Soliman, Elsyed A; Abd El-Karim, Somaia S; El Zahar, Magdy I; Srour, Aladdin M; Sethumadhavan, Shalini; Maher, Timothy J

    2011-01-01

    A series of 1-(1H-benzimidazol-2-yl)-3-(substituted)-2-propen-1-one and its 1-methyl analogues 2c-h were synthesized and cyclized with different reagents such as ethyl cyanoacetate, thiourea, hydroxylamine hydrochloride, guanidinium sulfate, methylhydrazine, phenylhydrazine and/or hydrogen peroxide in different reactions to produce pyridones 3a,b, pyrimidinethione 4a,b, isoxazole 5a,b, aminopyrimidine 6a,b, pyrazoline 7i-k and epoxy derivative 8, respectively. Acetohydrazide 10 reacted with formic acid, acetic anhydride, carbon disulfide and/or thiosemicarbazide to yield compounds 11-19. Also compound 21a,b was condensed with different monosaccharides to yield the corresponding N-glycoside Schiff's bases derivatives 22a-h, which upon treatment with acetic anhydride afforded 23a-h derivatives. The anticancer activity of some of the newly synthesized compounds was evaluated against HEPG2 (human liver carcinoma cell line) and PC12 (pheochromocytoma of the rat adrenal medulla) cells. Benzimidazole-2-isoxazole 5a derivative exhibited high potency against HEPG2 and PC12 cells. Benzimidazole chalcones 2c,e, benzimidazole mercaptoacetohydrazide 14 and benzimidazole thiosemicarbazide 15a,b derivatives gave high potency against PC12 cells. PMID:21796934

  20. Derivation of Completely Cell Culture-Derived Mice from Early-Passage Embryonic Stem Cells

    Microsoft Academic Search

    Andras Nagy; Janet Rossant; Reka Nagy; Wanda Abramow-Newerly; John C. Roder

    1993-01-01

    Several newly generated mouse embryonic stem (ES) cell lines were tested for their ability to produce completely ES cell-derived mice at early passage numbers by ES cell leftrightarrow tetraploid embryo aggregation. One line, designated R1, produced live offspring which were completely ES cell-derived as judged by isoenzyme analysis and coat color. These cell culture-derived animals were normal, viable, and fertile.

  1. Another derivation of generalized Langevin equations

    E-print Network

    Dengler, R

    2015-01-01

    The formal derivation of Langevin equations (and, equivalently Fokker-Planck equations) with projection operator techniques of Mori, Zwanzig, Kawasaki and others can well be called a pearl of theoretical physics. The derivation relies on classical mechanics, and encompasses everything an omnipotent engineer can construct from point particles and potentials: solids, liquids, liquid crystals, conductors, polymers, systems with spin-like degrees of freedom ... Einstein relations and Onsager reciprocity theorem come for free. It apparently not has widely found its way into textbooks, but has been reproduced dozens of times on the fly with many references to the literature and without adding much substantially new. Here we follow the tradition, but strive to produce a self-contained text. Furthermore, we address questions that naturally arise in the derivation. Among other things the meaning of the divergence of the Poisson brackets is explained, and the role of nonlinear damping coefficients is clarified.

  2. Electrical derivative measurement of quantum cascade lasers

    NASA Astrophysics Data System (ADS)

    Guo, Dingkai; Cheng, Liwei; Chen, Xing; Choa, Fow-Sen; Fan, Jenyu; Worchesky, Terry

    2011-02-01

    The electrical derivative characteristics of quantum cascade lasers (QCLs) are investigated to test the QCL threshold, leakage current, and possibly explore carrier transport. QCL thresholds can be identified by searching for the slope peak of the first derivative of the I-V curves and can be further confirmed with its alignment to the peak of the second derivative of the I-V curves. Leakage current in QCLs with oxide-blocked ridge waveguides and buried heterostructure (BH) waveguides are studied and compared. The oxide-blocking structures provide the lowest leakage current although the capped-mesa-BH (CMBH) QCLs provide the toughest durability under highly stressful operations. The leakage current of CMBH QCLs are also compared at different temperatures.

  3. Horava gravity with mixed derivative terms

    E-print Network

    Mattia Colombo; A. Emir Gumrukcuoglu; Thomas P. Sotiriou

    2014-10-23

    Horava gravity has been constructed so as to exhibit anisotropic scaling in the ultraviolet, as this renders the theory power-counting renormalizable. However, when coupled to matter, the theory has been shown to suffer from quadratic divergences. A way to cure these divergences is to add terms with both time and space derivatives. We consider this extended version of the theory in detail. We perform a perturbative analysis that includes all modes, determine the propagators and discuss how including mixed-derivative terms affects them. We also consider the Lifshitz scalar with mixed-derivative terms as a toy model for power counting arguments and discuss the influence of such terms on renormalizability.

  4. Second derivatives for approximate spin projection methods

    NASA Astrophysics Data System (ADS)

    Thompson, Lee M.; Hratchian, Hrant P.

    2015-02-01

    The use of broken-symmetry electronic structure methods is required in order to obtain correct behavior of electronically strained open-shell systems, such as transition states, biradicals, and transition metals. This approach often has issues with spin contamination, which can lead to significant errors in predicted energies, geometries, and properties. Approximate projection schemes are able to correct for spin contamination and can often yield improved results. To fully make use of these methods and to carry out exploration of the potential energy surface, it is desirable to develop an efficient second energy derivative theory. In this paper, we formulate the analytical second derivatives for the Yamaguchi approximate projection scheme, building on recent work that has yielded an efficient implementation of the analytical first derivatives.

  5. Theorems About Derivatives Definition 4.1 (Derivative). The derivative is given by either of the following two

    E-print Network

    Shapiro, Bruce E.

    (a) f(b) Theorem 4.2 (Mean Value Theorem (MVT)). If f is continuous on [a, b] and differentiable on (a of the mean value theorem is as follows: there is at least one point in the interval [a, b] where the slope: September 17, 2011 #12;LESSON 4. THEOREMS ABOUT DERIVATIVES 21 Figure 4.3: Illustration of the Mean Value

  6. EPR, magnetic and spectral studies of copper(II) and nickel(II) complexes of schiff base macrocyclic ligand derived from thiosemicarbazide and glyoxal

    Microsoft Academic Search

    Sulekh Chandra; X. Sangeetika

    2004-01-01

    A new macrocylic Schiff base 1,2,5,6,8,11-hexaazacyclododeca-7,12-dithione-2,4,8,10-tetraene(H2L4) containing thiosemicarbazone moiety is readily prepared and characterized for the first time with fairly good yield. Macrocylic ligand (H2L4) is prepared from the mesocyle 6-ethoxy-4-thio-2,3,5-triazine(H2L3) in ethanol with copper chloride acting as template using high dilution technique. The complexes of macrocylic ligand with a general composition M(H2L4)X2 [where M=Cu(II) or Ni(II); H2L4=1,2,5,6,8,11-hexaazacyclo dodeca-7,12-dithione-2,4,8,10-tetraene; X=

  7. Derived Bracket Construction and Manin Products

    NASA Astrophysics Data System (ADS)

    Uchino, Kyousuke

    2010-07-01

    We will extend the classical derived bracket construction to any algebra over a binary quadratic operad. We will show that the derived product construction is a functor given by the Manin white product with the operad of permutation algebras. As an application, we will show that the operad of prePoisson algebras is isomorphic to the Manin black product of the Poisson operad with the preLie operad. We will show that differential operators and Rota-Baxter operators are, in a sense, Koszul-dual to each other.

  8. A rigorous derivation of multicomponent diffusion laws

    E-print Network

    Zaibao Yang; Wen-An Yong; Yi Zhu

    2015-02-12

    This article is concerned with the dynamics of a mixture of gases. Under the assumption that all the gases are isothermal and inviscid, we show that the governing equations have an elegant conservation-dissipation structure. With the help of this structure, a multicomponent diffusion law is derived mathematically rigorously. This clarifies a long-standing non-uniqueness issue in the field for the first time. The multicomponent diffusion law derived here takes the spatial gradient of an entropic variable as the thermodynamic forces and satisfies a nonlinear version of the Onsager reciprocal relations.

  9. Monoterpene citral derivatives as potential antimalarials.

    PubMed

    Singh, Soni; Khandare, Reena P; Sharma, Manish; Bhasin, Virendra K; Bhat, Sujata V

    2014-03-01

    Conjugated acid derivatives containing nitrogen have been synthesized from the simple acyclic monoterpene citral, using various reactions, including Wittig, Baylis Hillman, amide and ester condensations. Similarly, amine peroxides were synthesized by subjecting citral to Mannich type reaction with amines and t-butyl hydroperoxide. Molecules 3-10 were evaluated for antimalarial activity against erythrocytic stages of chloroquine sensitive P. falciparum strain 3D7. Four derivatives displayed interesting activity with an IC50< 2.5 microM, and warrant further investigations. PMID:24689199

  10. High ethanol producing derivatives of Thermoanaerobacter ethanolicus

    DOEpatents

    Ljungdahl, Lars G. (Athens, GA); Carriera, Laura H. (Athens, GA)

    1983-01-01

    Derivatives of the newly discovered microorganism Thermoanaerobacter ethanolicus which under anaerobic and thermophilic conditions continuously ferment substrates such as starch, cellobiose, glucose, xylose and other sugars to produce recoverable amounts of ethanol solving the problem of fermentations yielding low concentrations of ethanol using the parent strain of the microorganism Thermoanaerobacter ethanolicus are disclosed. These new derivatives are ethanol tolerant up to 10% (v/v) ethanol during fermentation. The process includes the use of an aqueous fermentation medium, containing the substrate at a substrate concentration greater than 1% (w/v).

  11. Special relativity derived from spacetime magma.

    PubMed

    Greensite, Fred

    2014-01-01

    We present a derivation of relativistic spacetime largely untethered from specific physical considerations, in constrast to the many physically-based derivations that have appeared in the last few decades. The argument proceeds from the inherent magma (groupoid) existing on the union of spacetime frame components [Formula: see text] and Euclidean [Formula: see text] which is consistent with an "inversion symmetry" constraint from which the Minkowski norm results. In this context, the latter is also characterized as one member of a class of "inverse norms" which play major roles with respect to various unital [Formula: see text]-algebras more generally. PMID:24959889

  12. Effects of thienodiazepine derivatives on human sleep as compared to those of benzodiazepine derivatives

    Microsoft Academic Search

    Yoichi Nakazawa; Makoto Kotorii; Masachika Ohshima; Shuichi Horikawa; Hisayuki Tachibana

    1975-01-01

    The effects of new thienodiazepine derivatives, such as clotiazepam and Y-7131, on normal human sleep were investigated on 5 subjects and compared to those of benzodiazepine derivatives, such as diazepam and nitrazepam. REM sleep was significantly decreased only with 2 mg of Y-7131 and rebound elevation of REM sleep did not follow in recovery 1 and 2 nights. By using

  13. Bernard Jacquemin, A derivational rephrasing experiment for question answering A derivational rephrasing experiment for question answering

    E-print Network

    Paris-Sud XI, Université de

    Bernard Jacquemin, A derivational rephrasing experiment for question answering A derivational rephrasing experiment for question answering Bernard Jacquemin Université de Haute Alace / CREM EA3476 10 rue, preserving the initial meaning; its impact on the re- sults coping with a real issue, ie a question answering

  14. Nonlinear Frechet derivative and its De Wolf approximation

    E-print Network

    Wu, Ru-Shan

    2012-01-01

    We introduce and derive the nonlinear Frechet derivative for the acoustic wave equation. It turns out that the high order Frechet derivatives can be realized by consecutive applications of the scattering operator and a ...

  15. Barriers to growth in the US real estate derivatives market

    E-print Network

    Venter, Jani

    2007-01-01

    Commercial real estate is an important asset class but it does not yet have a well-developed derivatives market in the United States. A derivative is a contract that derives its value from an underlying index or asset. ...

  16. Exploiting Sparsity in Unconstrained Optimization Without Derivatives

    E-print Network

    Toint, Philippe

    , function evaluations and speed. Keywords: derivative-free optimization, interpolation models, trust discuss a method combining the use of interpolation polynomials and trust- region techniques to minimize methods to model the objective function and their com- bination with trust-region techniques. This class

  17. Pricing Exotic Derivatives Using Regret Minimization

    E-print Network

    Mansour, Yishay

    . An important type of derivative is an option, which is a financial instrument that allows its holder to buy that are traded or developed to meet particular financial needs. Such options are collectively known as exotic University, Tel Aviv, Israel {eyalgofe,mansour}@post.tau.ac.il Abstract. We price various financial

  18. Deriving Optimal Thresholds for Active Fire Detection

    Microsoft Academic Search

    Soo Chin Liew; Agnes Lim; Leong Keong Kwoh

    2006-01-01

    In this paper, the optimal threshold for fire detection is derived based on the probability density functions of the fire and background pixels. The threshold values and the commission and omission errors are computed according to several detection criteria: maximum likelihood, null-hypothesis testing, and minimum cost. This statistical approach enables the determination of optimal threshold value according to the specific

  19. Higher Derivative D-brane Couplings

    E-print Network

    Guo, Guangyu

    2012-10-19

    supersymmetry. In the third part, we obtain the higher derivative D-brane action by using both linearized T-duality and string disc amplitude computation. We evaluate disc amplitude of one R-R field C^(p-3) and two NS-NS fields in the presence of a single Dp...

  20. A derivation of Abel's name by Postnikov

    E-print Network

    Kassel, Christian

    A derivation of Abel's name by Postnikov Abel --# Abel son of Adam and Eva # # # # Brother Cain, Editions Mir, Moscou 1985). 0 #12; Abel Conference Oslo (3--8.6.2001) Action of the absolute Galois group. Inverse system of braided categories: # C = lim #- {· · · # C/I 3 # C/I 2 # C/I} Example. Let R

  1. Chemiluminescence of indole and its derivatives

    NASA Astrophysics Data System (ADS)

    Vasil'ev, Rostislav F.; Trofimov, A. V.; Tsaplev, Yuri B.

    2010-02-01

    The results of studies on chemiluminescence of indole and its derivatives are critically analyzed. It is shown that chemical transformations of indoles lead, depending on the structure and experimental conditions, to various electronically excited products and emission of light. Many reactions considered are used as a basis for highly sensitive methods for detection of indoles in biology, medicine, ecology and forensics.

  2. DAMTP 9269 Grassmann Mechanics, Multivector Derivatives and

    E-print Network

    Cambridge, University of

    mathematics that can be carried out with geometric (Clifford) algebra (Hestenes & Sobczyk, 1984 of the multivector derivative (Hestenes & Sobczyk, 1984). The point to stress is that as a result of the translation of (Hestenes & Sobczyk, 1984), so that vectors are written in lower case, and multivectors in upper case

  3. Ecosystem Services Derived from Headwater Catchments

    EPA Science Inventory

    We used data from the USEPA?s wadeable streams assessment (WSA), US Forest Service?s forest inventory and analysis (FIA), and select USFS experimental forests (EF) to investigate potential ecosystems services derived from headwater catchments. C, N, and P inputs to these catchmen...

  4. Entropy theory for derivation of infiltration equations

    NASA Astrophysics Data System (ADS)

    Singh, Vijay P.

    2010-03-01

    An entropy theory is formulated for modeling the potential rate of infiltration in unsaturated soils. The theory is composed of six parts: (1) Shannon entropy, (2) principle of maximum entropy (POME), (3) specification of information on infiltration in terms of constraints, (4) maximization of entropy in accordance with POME, (5) derivation of the probability distribution of infiltration, and (6) derivation of infiltration equations. The theory is illustrated with the derivation of six infiltration equations commonly used in hydrology, watershed management, and agricultural irrigation, including Horton, Kostiakov, Philip two-term, Green-Ampt, Overton, and Holtan equations, and the determination of the least biased probability distributions of these infiltration equations and their entropies. The theory leads to the expression of parameters of the derived infiltration equations in terms of measurable quantities (or information), called constraints, and in this sense these equations are rendered nonparametric. Furthermore, parameters of these infiltration equations can be expressed in terms of three measurable quantities: initial infiltration, steady infiltration, and soil moisture retention capacity. Using parameters so obtained, infiltration rates are computed using these six infiltration equations and are compared with field experimental observations reported in the hydrologic literature as well as the rates computed using parameters of these equations obtained by calibration. It is found that infiltration parameter values yielded by the entropy theory are good approximations.

  5. Biofuels and bio-products derived from

    E-print Network

    Ginzel, Matthew

    NEED Biofuels and bio- products derived from lignocellulosic biomass (plant materials) are part improve the energy and carbon efficiencies of biofuels production from a barrel of biomass using chemical and thermal catalytic mechanisms. The Center for Direct Catalytic Conversion of Biomass to Biofuels IMPACT

  6. Trading Volume in Models of Financial Derivatives

    Microsoft Academic Search

    Sam Howison; David lamper

    2000-01-01

    This paper develops a subordinated stochastic process model for the asset price, where the directing process is identified as information. Motivated by recent empirical and theoretical work, we make use of the under-used market statistic of transaction count as a suitable proxy for the information flow. An option pricing formula is derived, and comparisons with stochastic volatility models are drawn.

  7. Radon-Nikodym Derivatives of Gaussian Measures

    Microsoft Academic Search

    L. A. Shepp

    1966-01-01

    We give simple necessary and sufficient conditions on the mean and covariance for a Gaussian measure to be equivalent to Wiener measure. This was formerly an unsolved problem [26]. An unsolved problem is to obtain the Radom-Nikodym derivative $d\\\\mu\\/d\\\

  8. LOGARITHMIC DERIVATIVES AND GENERALIZED DYNKIN OPERATORS.

    E-print Network

    Paris-Sud XI, Université de

    directions and point of views (free Lie algebras, Hopf algebras, Rota-Baxter algebras...), all of them knownLOGARITHMIC DERIVATIVES AND GENERALIZED DYNKIN OPERATORS. FR´ED´ERIC MENOUS AND FR´ED´ERIC PATRAS Abstract. Motivated by a recent surge of interest for Dynkin oper- ators in mathematical physics

  9. Alternative Derivations for the Poisson Integral Formula

    ERIC Educational Resources Information Center

    Chen, J. T.; Wu, C. S.

    2006-01-01

    Poisson integral formula is revisited. The kernel in the Poisson integral formula can be derived in a series form through the direct BEM free of the concept of image point by using the null-field integral equation in conjunction with the degenerate kernels. The degenerate kernels for the closed-form Green's function and the series form of Poisson…

  10. Sol-Gel Derived Hafnia Coatings

    NASA Technical Reports Server (NTRS)

    Feldman, Jay D.; Stackpoole, Mairead; Blum, Yigal; Sacks, Michael; Ellerby, Don; Johnson, Sylvia M.; Venkatapathy, Ethiras (Technical Monitor)

    2002-01-01

    Sol-gel derived hafnia coatings are being developed to provide an oxidation protection layer on ultra-high temperature ceramics for potential use in turbine engines (ultra-efficient engine technology being developed by NASA). Coatings using hafnia sol hafnia filler particles will be discussed along with sol synthesis and characterization.

  11. Developing market for waste-derived fuel

    Microsoft Academic Search

    1984-01-01

    Markets are developing for products such as closely specified fuel, graded compost and clean ferrous metal and the company in question is aiming to produce these from waste treatment projects. The plant used for the waste derived fuel consists of equipment such as plant feeders, a vertical hammer mill, a ballistic classifier, magnetic separators, shredders, dryers a densifying unit and

  12. Derivation of physically motivated wind speed scales

    Microsoft Academic Search

    Nikolai Dotzek

    2009-01-01

    A class of new wind speed scales is proposed in which the relevant scaling factors are derived from physical quantities like mass flux density, energy density (pressure), or energy flux density. Hence, they are called Energy- or E-scales, and can be applied to wind speeds of any intensity. It is shown that the Mach scale is a special case of

  13. Calculus Concepts Using Derive For Windows

    E-print Network

    Craven, Thomas C.

    Calculus Concepts Using Derive For Windows Ralph S. Freese and David A. Stegenga Professors-471-37228-5 This publication was typeset using AMS-LATEX, the American Mathematical Society's TEX macro system, and LATEX2 and Mathematica, are very powerful tools for doing calculus. They are capable of doing exact computations

  14. Calculus Concepts Using Derive For Windows

    E-print Network

    Freese, Ralph S.

    Calculus Concepts Using Derive For Windows Ralph S. Freese and David A. Stegenga Professors. This publication was typeset using AMS-LATEX, the American Mathe- matical Society's TEX macro system, and LATEX2. #12;Contents Preface ix Calculus Reform and Computers . . . . . . . . . . . . . . . . . . . ix 0

  15. CONFIGURATION INTERACTION ENERGY DERIVATIVES Jack Simons

    E-print Network

    Simons, Jack

    CONFIGURATION INTERACTION ENERGY DERIVATIVES Jack Simons Chemistry Department University of Utah. Simons (eds.), Geometrica/ De,ivatives of Energy Surfaces and Mo/ecu/ar Properties, 27-34. ~ 1986 by D. Reide/ Pub/ishing Cor.wany. #12;28 J. SIMONS be taken to obey the generalized Brillouin theorem2 (GBT

  16. Parsing with Derivatives (Yacc is Dead)

    E-print Network

    Might, Matt

    Parsing with Derivatives (Yacc is Dead) Matt Might & David Darais University of Utah matt" | "Sep" | "Oct" | "Nov" | "Dec" Chunked-Body = *chunk last-chunk trailer CRLF chunk = chunk-size [ chunk = (2base64-char "==") / (3base64-char "=") body = "(" (body-type-1part / body-type-mpart) ")" body

  17. Geometric Derivation of Radial Acceleration Magnitude.

    ERIC Educational Resources Information Center

    Kraft, David W.; Motz, Lloyd

    1995-01-01

    Standard treatments of uniform circular motion generally employ a combination of geometric and kinematic arguments to obtain the magnitude of radial acceleration. Presents a novel approach to the geometric portion of the derivation that uses the property that vectors can be translated parallel to themselves. (JRH)

  18. Synthesis of hydroxy derivatives of limonene

    NASA Astrophysics Data System (ADS)

    Ardashov, O. V.; Volcho, K. P.; Salakhutdinov, N. F.

    2014-04-01

    Synthetic routes to mono-, di- and trihydroxy derivatives of limonene are presented. Emphasis is given to the problems of regio- and stereoselectivity of transformations. Data on the isolation from natural sources and on the biological activities of the title compounds are given. The bibliography includes 107 references.

  19. Speaker Recognition Using Acoustically Derived Units

    E-print Network

    word in the database's vocabulary. Acoustic segmentation is performed using dynamic pro- gramming where1 Speaker Recognition Using Acoustically Derived Units Brett R. Wildermoth & Kuldip K. Paliwal to their restrictive nature. It is the goal of this paper to propose the use of acoustic based units as a means

  20. Wind information derived from hot air

    E-print Network

    Haak, Hein

    Wind information derived from hot air balloon flights for use in short term wind forecasts E Introduction/Motivation Hot air balloons as wind measuring device Setup of nested HIRLAM models Results · Three, The Nertherlands #12;Hot air balloon ·Displacement/time unit = wind speed ·Vertical resolution 30m ·Inertia (500 kg

  1. The derivatives of the H-function

    NASA Astrophysics Data System (ADS)

    Viik, Tonu

    1990-03-01

    A method to find the derivatives of the H-function is proposed. The method starts from Sobolev's (1972) formula for the differential of the H-function. The quality of the resulting formulas is discussed, indicating ways to improve the results of their application.

  2. Bone marrow-derived stem cells and \\

    Microsoft Academic Search

    A. Hüttmann; C. L. Li; U. Dührsen

    2003-01-01

    Studies describing plasticity of somatic stem cells have become a focus of interest because clinical applications in the treatment of degenerative diseases would be at hand. In particular, bone marrow-derived cells and their potential to contribute to skeletal and cardiac muscle, liver, neurons and epithelium have recently been studied extensively. Nevertheless, results of these studies have not always been consistent

  3. Derivatives and the Graphs of Functions Microworld

    NSDL National Science Digital Library

    James White

    2004-11-01

    The purpose of this Microworld is to experiment with some of the general applications of the derivative to the study of the behavior of functions. This includes their critical behavior, their local extrema, regions of monotonicity (increasing or decreasing), and their inflection points.

  4. Hedging derivative securities with genetic programming

    Microsoft Academic Search

    1999-01-01

    Abstract,One of the most recent applications of GP to finance is to use genetic program- ming to derive option pricing formulas. Earlier studies take the Black?Scholes model as the true model and use the artificial data generated by it to train and to test GP. The aim of this paper is to provide some initial evidence of the empirical relevance

  5. The Schwarzian derivative for harmonic mappings

    Microsoft Academic Search

    Martin Chuaqui; Peter Duren; Brad Osgood

    2003-01-01

    The Schwarzian derivative of an analytic function is a basic tool in complex analysis. It appeared as early as 1873, when H. A. Schwarz sought to generalize the Schwarz-Christo el formula to conformal mappings of polygons bounded by circular arcs. More recently, Nehari [5, 6, 7] and others have developed important criteria for global univalence in terms of the Schwarzian

  6. Singlet exciton fission in a hexacene derivative.

    PubMed

    Lee, Jiye; Bruzek, Matthew J; Thompson, Nicholas J; Sfeir, Matthew Y; Anthony, John E; Baldo, Marc A

    2013-03-13

    Hexacene, an acene with six benzene rings, is notable for its exceptionally small triplet energy, around one third of the singlet energy. Herein, singlet fission, i.e., conversion of a singlet exciton into two triplets, is demonstrated in a thin film of hexacene derivative, employing both transient absorption spectroscopy and magnetic field effects on photocurrent. PMID:23293054

  7. Amino acid and peptide derivatives of fullerene

    Microsoft Academic Search

    M. E. Vol'pin; Z. N. Parnes; V. S. Romanova

    1998-01-01

    A general method for the synthesis of amino acid and peptide derivatives of fullerene (ADF) was developed, and the physicochemical\\u000a properties of the compounds obtained were studied. ADF were shown to penetrate into liposomes and to exhibit adjuvant properties\\u000a and antiviral activity.

  8. Embryogenesis in callus derived from rice microspores

    Microsoft Academic Search

    A. D. Genovesi; C. W. Magill

    1982-01-01

    Differentiating calli derived from rice (Oryza sativa L.) microspores were examined histologically. Shoot and root meristems were observed to be arising by both organogenesis as well as embryogenesis. Embryoid attachment to callus (as well as other embryoids) was at the scutellum adjacent to the mesocotyl and radicle. These observations could be interpreted as an indication of the totipotent plasticity of

  9. UNDERSTANDING, DERIVING, AND COMPUTING BUFFER CAPACITY

    EPA Science Inventory

    Derivation and systematic calculation of buffer capacity is a topic that seems often to be neglected in chemistry courses and given minimal treatment in most texts. However, buffer capacity is very important in the chemistry of natural waters and potable water. It affects corro...

  10. Deriving exact predictions from the cascade model

    Microsoft Academic Search

    F. Gregory Ashby

    1982-01-01

    Discusses J. L. McClelland's cascade model and demonstrates that the model does not have a well-defined RT distribution function because it always predicts a nonzero probability that a response will never occur. By conditioning on the event that a response does occur, RT density and distribution functions are derived, thus allowing most RT statistics to be computed directly and eliminating

  11. SATELLITE-DERIVED CLOUD PROPERTIES OVER CHINA

    Microsoft Academic Search

    K. Kawamoto; T. Hayasaka; WG VII

    Low-level water cloud (cloud top temperature more than 273K) properties such as the optical depth, particle radius, and vertically- integrated droplet number concentration are derived from satellite remote sensing technique with Advanced High Resolution Radiometer (AVHRR) over the East Asia, mainly China area. Their annual mean characteristics thus obtained are consistent with what the Twomey effect indicates, showing larger optical

  12. Emulating Multivariate Output with Derivative Information

    E-print Network

    Oakley, Jeremy

    of derivatives in emulation . . . . . . . . . . . . . . . . . . . . . . . . . 3 1.2 The Radiation Transport model each output of the radiation transport model independently . . 12 2.3.1 Emulators with all 100 runs.3 Multivariate emulation of the radiation transport model . . . . . . . . . . . 27 4 Calibration of the Radiation

  13. Simple Derivation of the Lindblad Equation

    ERIC Educational Resources Information Center

    Pearle, Philip

    2012-01-01

    The Lindblad equation is an evolution equation for the density matrix in quantum theory. It is the general linear, Markovian, form which ensures that the density matrix is Hermitian, trace 1, positive and completely positive. Some elementary examples of the Lindblad equation are given. The derivation of the Lindblad equation presented here is…

  14. Dynamic derivative UV spectroscopy for combustion monitoring

    NASA Astrophysics Data System (ADS)

    Sassenscheid, Karsten; Klocke, Ulrich; Marb, C.; Riedel, H.; Schmidtke, Gerhard; Tacke, Maurus

    1999-01-01

    Derivative UV-absorption spectroscopy is a powerful spectroscopic technique for multicomponent gas analysis, particularly in combustion and process controlling applications. It offers enhanced selectivity and sensitivity compared to conventional techniques. We here report on a test of a special system with optical derivative generation in a waste incineration plant. Gas analysis is performed by transmission spectroscopy. A deuterium lamp is used as UV- source. Spectroscopic filtering is provided by a special grating monochromator. The grating is mounted on a galvanometer scanner, thus allowing a computer controlled wavelength scan and modulation. Signal analysis is performed with lock-in amplifier. The is from of detection for derivative spectra with a movable optical component is the origin of the term DYnamic Derivative Spectroscopy (DDS). The performance of this spectroscopic technique was demonstrated in a measurement campaign at a municipal solid waste incineration plant. The sensitivity for relevant gases is blow ppm level with an optical cell length of 10cm. The basics of the DDS and its performance will be explained, and data on NO, SO2 and NO2 will be reported.

  15. CYTOPATHOLOGY Computer-Derived Nuclear Features Compared

    E-print Network

    Street, Nick

    172 CANCER CYTOPATHOLOGY Computer-Derived Nuclear Features Compared with Axillary Lymph Node Status of axillary lymph nodes and may obviate the need for routine axillary lymph node dissection. Cancer (Cancer for Breast Carcinoma Prognosis BACKGROUND. Both axillary lymph node involvement and tumor anaplasia, as

  16. Deriving Realtime Monitors System Requirements Documentation

    E-print Network

    Peters, Dennis

    -- or mission--critical systems, good engineering practice dictates that a clear, precise and unam­ biguousDeriving Real­time Monitors from System Requirements Documentation Dennis K. Peters CRL, Mc against the specification, a monitor, be automatically de­ rived from the requirements documentation

  17. Leading Edge Democracy Derived? New Trajectories

    E-print Network

    Leading Edge Commentary Democracy Derived? New Trajectories in Pluripotent Stem Cell Research of stem cell research? Here, coauthorship networks of stem cell research articles and analysis of cell lines used in stem cell research indicate that hiPSCs are not replacing human embryonic stem cells

  18. Robust Derivation of Risk Reduction Strategies

    NASA Technical Reports Server (NTRS)

    Richardson, Julian; Port, Daniel; Feather, Martin

    2007-01-01

    Effective risk reduction strategies can be derived mechanically given sufficient characterization of the risks present in the system and the effectiveness of available risk reduction techniques. In this paper, we address an important question: can we reliably expect mechanically derived risk reduction strategies to be better than fixed or hand-selected risk reduction strategies, given that the quantitative assessment of risks and risk reduction techniques upon which mechanical derivation is based is difficult and likely to be inaccurate? We consider this question relative to two methods for deriving effective risk reduction strategies: the strategic method defined by Kazman, Port et al [Port et al, 2005], and the Defect Detection and Prevention (DDP) tool [Feather & Cornford, 2003]. We performed a number of sensitivity experiments to evaluate how inaccurate knowledge of risk and risk reduction techniques affect the performance of the strategies computed by the Strategic Method compared to a variety of alternative strategies. The experimental results indicate that strategies computed by the Strategic Method were significantly more effective than the alternative risk reduction strategies, even when knowledge of risk and risk reduction techniques was very inaccurate. The robustness of the Strategic Method suggests that its use should be considered in a wide range of projects.

  19. Two-point derivative dispersion relations

    NASA Astrophysics Data System (ADS)

    Ferreira, Erasmo; Sesma, Javier

    2013-03-01

    A new derivation is given for the representation, under certain conditions, of the integral dispersion relations of scattering theory through local forms. The resulting expressions have been obtained through an independent procedure to construct the real part and consist of new mathematical structures of double infinite summations of derivatives. In this new form the derivatives are calculated at the generic value of the energy E and separately at the reference point E = m that is the lower limit of the integration. This new form may be more interesting in certain circumstances and directly shows the origin of the difficulties in convergence that were present in the old truncated forms called standard-derivative dispersion relations (DDR). For all cases in which the reductions of the double to single sums were obtained in our previous work, leading to explicit demonstration of convergence, these new expressions are seen to be identical to the previous ones. We present, as a glossary, the most simplified explicit results for the DDR's in the cases of imaginary amplitudes of forms (E/m)?[ln (E/m)]n that cover the cases of practical interest in particle physics phenomenology at high energies. We explicitly study the expressions for the cases with ? negative odd integers, that require identification of cancelation of singularities, and provide the corresponding final results.

  20. Deriving Safety Requirements for Autonomous Systems

    Microsoft Academic Search

    Robert Alexander; Tim Kelly; Nicola Herbert

    In any safety engineering effort, deriving safety requirements is a key activity. Doing this for autonomous systems (AS) is challenging. However, several existing techniques can be pulled together to create a reasonable approach The risk of interaction between implemented requirements remains a concern, as does ambiguity about the appropriate boundary of the AS system. We believe these issues can be

  1. Curcumin derivatives as HIV-1 protease inhibitors

    SciTech Connect

    Sui, Z.; Li, J.; Craik, C.S.; Ortiz de Montellano, P.R. [Univ. of California, San Francisco, CA (United States)

    1993-12-31

    Curcumin, a non-toxic natural compound from Curcuma longa, has been found to be an HIV-1 protease inhibitor. Some of its derivatives were synthesized and their inhibitory activity against the HIV-1 protease was tested. Curcumin analogues containing boron enhanced the inhibitory activity. At least of the the synthesized compounds irreversibly inhibits the HIV-1 protease.

  2. Mathematical Relationships Derived from Biodiesel Fuels

    Microsoft Academic Search

    A. Demirbas

    2007-01-01

    The objective of this study was to estimate mathematical relationships derived from biodiesel fuels from various vegetable oils by non-catalytic supercritical methanol and ethanol method. The vegetable oils are all extremely viscous with viscosities ranging from 10 to 20 times greater than petroleum diesel fuel. The aim of the transesterification process is to lower the viscosity of the oil. Methyl

  3. Introduction Aliphatic polyesters derived from renewable

    E-print Network

    , there are also opportunities to derive lactones from biomass, which can then be converted to a wide range IV instrument using a DHB/NaCl matrix in a sample:matrix ratio of 1:1. The matrix was prepared

  4. Early Time Points Perfusion Imaging: Relative Time of Arrival, Maximum Derivatives and Fractional Derivatives

    PubMed Central

    Kwong, Kenneth K.; Wu, Ona; Chan, Suk-Tak; Nelissen, Koen; Kholodov, Mykhaylo; Chesler, David A.

    2011-01-01

    Time of arrival (TOA) of a bolus of contrast agent to the tissue voxel is a reference time point critical for the Early Time Points Perfusion Imaging Method (ET) to make relative cerebral blood flow (rCBF) maps. Due to the low contrast to noise (CNR) condition at TOA, other useful reference time points known as relative time of arrival data points (rTOA) are investigated. Candidate rTOA's include the time to reach the maximum derivative, the maximum second derivative, and the maximum fractional derivative. Each rTOA retains the same relative time distance from TOA for all tissue flow levels provided that ET's basic assumption is met, namely, no contrast agent has a chance to leave the tissue before the time of rTOA. The ET's framework insures that rCBF estimates by different orders of the derivative are theoretically equivalent to each other and monkey perfusion imaging results supported the theory. In rCBF estimation, maximum values of higher order fractional derivatives may be used to replace the maximum derivative which runs a higher risk of violating ET's assumption. Using the maximum values of the derivative of orders ranging from 1 to 1.5 to 2, estimated rCBF results were found to demonstrate a gray-white matter ratio of approximately 3, a number consistent with flow ratio reported in the literature. PMID:21600995

  5. Photophysics and photochemistry of naphthoxazinone derivatives.

    PubMed

    Nonell, Santi; Ferreras, Lourdes R; Cañete, Alvaro; Lemp, Else; Günther, German; Pizarro, Nancy; Zanocco, Antonio L

    2008-07-18

    The photophysics and photochemistry of a series of naphthoxazinones have been studied using a combination of methods ranging from steady-state and time-resolved spectroscopic techniques to product analysis. The photophysics of naphthoxazinone derivatives is very dependent on the structure: phenanthrene-like compounds exhibit higher fluorescence quantum yield than the less aromatic anthracene-like homologous. The latter, exhibit a substantial degree of charge transfer in the excited singlet state. These compounds are fairly photostable in the absence of additives, yielding a single photoproduct arising from the triplet state. The presence of electron donors such as amines increases the photoconsumption quantum yield and changes the product distribution, the primary photoproduct being a dihydronaphthoxazinone that photoreacts further yielding ultimately an oxazoline derivative. PMID:18553978

  6. Hydrocarbon and nonhydrocarbon derivatives of cyclopropane

    NASA Technical Reports Server (NTRS)

    Slabey, Vernon A; Wise, Paul H; Gibbons, Louis C

    1953-01-01

    The methods used to prepare and purify 19 hydrocarbon derivatives of cyclopropane are discussed. Of these hydrocarbons, 13 were synthesized for the first time. In addition to the hydrocarbons, six cyclopropylcarbinols, five alkyl cyclopropyl ketones, three cyclopropyl chlorides, and one cyclopropanedicarboxylate were prepared as synthesis intermediates. The melting points, boiling points, refractive indices, densities, and, in some instances, heats of combustion of both the hydrocarbon and nonhydrocarbon derivatives of cyclopropane were determined. These data and the infrared spectrum of each of the 34 cyclopropane compounds are presented in this report. The infrared absorption bands characteristic of the cyclopropyl ring are discussed, and some observations are made on the contribution of the cyclopropyl ring to the molecular refractions of cyclopropane compounds.

  7. Polyphenol derivatives - potential regulators of neutrophil activity.

    PubMed

    Drábiková, Katarína; Pere?ko, Tomáš; Nosá?, Radomír; Harmatha, Juraj; Smidrkal, Jan; Jan?inová, Viera

    2012-06-01

    The study provides new information on the effect of natural polyphenols (derivatives of stilbene - resveratrol, pterostilbene, pinosylvin and piceatannol and derivatives of ferulic acid - curcumin, N-feruloylserotonin) on the activity of human neutrophils in influencing oxidative burst. All the polyphenols tested were found to reduce markedly the production of reactive oxygen species released by human neutrophils on extra-and intracellular levels as well as in cell free system. Moreover, pinosylvin, curcumin, N-feruloylserotonin and resveratrol decreased protein kinase C activity involved in neutrophil signalling and reactive oxygen species production. Our results suggest that due to their anti-neutrophil activity, the polyphenols tested might be attractive candidates in therapeutic development. PMID:23118589

  8. Novel cajaninstilbene acid derivatives as antibacterial agents.

    PubMed

    Geng, Zhi-Zhong; Zhang, Jian-Jun; Lin, Jing; Huang, Mei-Yan; An, Lin-Kun; Zhang, Hong-Bin; Sun, Ping-Hua; Ye, Wen-Cai; Chen, Wei-Min

    2015-07-15

    Discovery of novel antibacterial agents with new structural scaffolds that combat drug-resistant pathogens is an urgent task. Cajaninstilbene acid, which is isolated from pigeonpea leaves, has shown antibacterial activity. In this study, a series of cajaninstilbene acid derivatives were designed and synthesized. The antibacterial activities of these compounds against gram-negative and gram-positive bacteria, as well as nine strains of methicillin-resistant staphylococcus aureus (MRSA) bacteria are evaluated?and the related structure-activity relationships are discussed. Assays suggest that some of the synthetic cajaninstilbene acid derivatives exhibit potent antibacterial activity against gram-positive bacterial strains and MRSA. Among these compounds, 5b, 5c, 5j and 5k show better antibacterial activity than the positive control compounds. The results of MTT assays illustrate the low cytotoxicity of the active compounds. PMID:26093280

  9. Tooth-derived bone graft material

    PubMed Central

    Kim, Young-Kyun; Lee, Junho; Kim, Kyung-Wook; Murata, Masaru; Akazawa, Toshiyuki; Mitsugi, Masaharu

    2013-01-01

    With successful extraction of growth factors and bone morphogenic proteins (BMPs) from mammalian teeth, many researchers have supported development of a bone substitute using tooth-derived substances. Some studies have also expanded the potential use of teeth as a carrier for growth factors and stem cells. A broad overview of the published findings with regard to tooth-derived regenerative tissue engineering technique is outlined. Considering more than 100 published papers, our team has developed the protocols and techniques for processing of bone graft material using extracted teeth. Based on current studies and studies that will be needed in the future, we can anticipate development of scaffolds, homogenous and xenogenous tooth bone grafts, and dental restorative materials using extracted teeth. PMID:24471027

  10. Synthesis and cytotoxicity of longistylin C derivatives.

    PubMed

    Shan, Yan; Hong, Ting; Wang, Yan-Fei; Zhang, Nen-Ling; Yu, Bo; Lu, Yu; Qiu, Sheng-Xiang

    2015-04-01

    The present study was designed to identify potent anti-tumor compounds from a series of new longistylin C derivatives. Ten longistylin C derivatives were synthesized and their structures were confirmed by (1)H NMR, MS, and elemental analyses. Their cytotoxicity in vitro against three human cancer cell lines (A549, HepG2, and MCF-7) were evaluated by the MTT assay. Among these compounds, DT-6 and DT-9 displayed much better cytotoxicity against A549, HepG2, and MCF-7 cells, DT-1 exhibited selective cytotoxicity against HepG2, and the structure-activity relationships were investigated. In conclusion, Compounds DT-6 and DT-9 may serve as potential lead compounds for the discovery of new anti-cancer drugs. PMID:25908631

  11. ?-Ionone derived chalcones as potent antiproliferative agents.

    PubMed

    Sharma, Vishal; Chaudhary, Ashun; Arora, Saroj; Saxena, Ajit K; Ishar, Mohan Paul S

    2013-11-01

    A series of ?-ionone derived chalcones were evaluated for cytotoxic activity against various human cancer cell lines using SRB dye assay. All the compounds displayed moderate to high cytotoxic effect against almost all the cancer cell lines. The results also revealed the effect of substituents of the aromatic ring on their inhibitory potential. In general, compounds bearing electron withdrawing groups such as nitro, fluoro, chloro and bromo showed more inhibitory potential than those bearing electron donating groups. The nitro substituted compound (7h) showed comparatively more inhibitory potential than other derivatives, therefore, it was further investigated for observing its effect on cell morphology in Chinese hamster ovary (CHO) cells by using phase contrast imaging, cell cycle analysis and annexin-FITC apoptosis assay. The treated cells exhibited the characteristics of apoptosis i.e. cell shrinkage, chromatin condensation and nuclear fragmentation, and induced the inhibition of cell proliferation by arresting the cells at G0 phase. PMID:24056146

  12. Novel harmine derivatives for tumor targeted therapy.

    PubMed

    Li, Siwen; Wang, Aqin; Gu, Fan; Wang, Zhaohui; Tian, Caiping; Qian, Zhiyu; Tang, Liping; Gu, Yueqing

    2015-04-20

    Harmine is a beta-carboline alkaloid found in medicinal plant PeganumHarmala, which has served as a folk anticancer medicine. However, clinical applications of harmine were limited by its low pharmacological effects and noticeable neurotoxicity. In this study, we modified harmine to increase the therapeutic efficacy and to decrease the systemic toxicity. Specifically, two tumor targeting harmine derivatives 2DG-Har-01 and MET-Har-02 were synthesized by modifying substituent in position-2, -7 and -9 of harmine ring with two different targeting group2-amino-2-deoxy-D-glucose (2DG) and Methionine (Met), respectively. Their therapeutic efficacy and toxicity were investigated both in vitro and in vivo. Results suggested that the two newharmine derivatives displayed much higher therapeutic effects than non-modified harmine. In particular, MET-Har-02 was more potent than 2DG-Har-01 with promising potential for targeted cancer therapy. PMID:25940702

  13. Febrifugine derivative antimalarial activity: quantum mechanical predictors.

    PubMed

    Autreto, Pedro Alves da Silva; Lavarda, Francisco Carlos

    2008-01-01

    Plasmodium falciparum resistant strain development has encouraged the search for new antimalarial drugs. Febrifugine is a natural substance with high activity against P. falciparum presenting strong emetic property and liver toxicity, which prevent it from being used as a clinical drug. The search for analogues that could have a better clinical performance is a current topic. We aim to investigate the theoretical electronic structure by means of febrifugine derivative family semi-empirical molecular orbital calculations, seeking the electronic indexes that could help the design of new efficient derivatives. The theoretical results show there is a clustering in well-defined ranges of several electronic indexes of the most selective molecules. The model proposed for achieving high selectivity was tested with success. PMID:18327483

  14. Novel harmine derivatives for tumor targeted therapy

    PubMed Central

    Gu, Fan; Wang, Zhaohui; Tian, Caiping; Qian, Zhiyu; Tang, Liping; Gu, Yueqing

    2015-01-01

    Harmine is a beta-carboline alkaloid found in medicinal plant PeganumHarmala, which has served as a folk anticancer medicine. However, clinical applications of harmine were limited by its low pharmacological effects and noticeable neurotoxicity. In this study, we modified harmine to increase the therapeutic efficacy and to decrease the systemic toxicity. Specifically, two tumor targeting harmine derivatives 2DG-Har-01 and MET-Har-02 were synthesized by modifying substituent in position-2, -7 and -9 of harmine ring with two different targeting group2-amino-2-deoxy-D-glucose (2DG) and Methionine (Met), respectively. Their therapeutic efficacy and toxicity were investigated both in vitro and in vivo. Results suggested that the two newharmine derivatives displayed much higher therapeutic effects than non-modified harmine. In particular, MET-Har-02 was more potent than 2DG-Har-01 with promising potential for targeted cancer therapy. PMID:25940702

  15. Bacterial degradation of chlorophenols and their derivatives

    PubMed Central

    2014-01-01

    Chlorophenols (CPs) and their derivatives are persistent environmental pollutants which are used in the manufacture of dyes, drugs, pesticides and other industrial products. CPs, which include monochlorophenols, polychlorophenols, chloronitrophenols, chloroaminophenols and chloromethylphenols, are highly toxic to living beings due to their carcinogenic, mutagenic and cytotoxic properties. Several physico-chemical and biological methods have been used for removal of CPs from the environment. Bacterial degradation has been considered a cost-effective and eco-friendly method of removing CPs from the environment. Several bacteria that use CPs as their sole carbon and energy sources have been isolated and characterized. Additionally, the metabolic pathways for degradation of CPs have been studied in bacteria and the genes and enzymes involved in the degradation of various CPs have been identified and characterized. This review describes the biochemical and genetic basis of the degradation of CPs and their derivatives. PMID:24589366

  16. Triamine chelants, their derivatives, complexes and conjugates

    DOEpatents

    Troutner, David E. (Phoenixville, PA); John, Christy S. (Gaithersburg, MD); Pillai, Maroor R. A. (Vashi, IN)

    1995-01-01

    A group of functionalized triamine chelants and their derivatives that form complexes with radioactive metal ions are disclosed. The complexes can be covalently attached to a protein or an antibody or antibody fragment and used for therapeutic and/or diagnostic purposes. The chelants are of the formula: ##STR1## wherein n, m, R, R.sup.1, R.sup.2 and L are defined in the specification.

  17. The Science of Deriving Stability Analyses

    Microsoft Academic Search

    P. Bientinesi; R. van de Geijn

    2008-01-01

    We introduce a methodology for obtaining inventories of error results for families of numerical dense linear algebra algorithms. The approach for deriving the analyses is goal-oriented, systematic, and layered. The presentation places the analysis side-by-side with the algorithm so that it is obvious where error is introduced, making it attractive for use in the classroom. Yet the approach is suciently

  18. DNA-polymerase inhibitors. Rifamycin derivatives.

    PubMed Central

    Frolova, L Y; Meldrays, Y A; Kochkina, L L; Giller, S A; Eremeyev, A V; Grayevskaya, N A; Kisselev, L L

    1977-01-01

    Ten new derivatives of the antibiotic rifamycin with variable side chains at position 3 were synthesized. The inhibitory activity of these derivatives against DNA-polymerases isolated from avian myeloblastosis virus, E. coli and calf thymus were studied at various conditions. 3-(2,4,6-trinitrophenylhydrazone-(methyl) rifamycin SV is a strong inhibitor for all the polymerases tested and belongs to the C class inhibitors of reverse transcriptase. 3-(monoallylhydrazone-(methyl) rifamycin SV possesses a selective action on polymerases: at 0.1 mg/ml concentration it almost completely inhibits the reverse transcriptase and less than half of the bacterial and eukaryotic enzymes. A drug is found which strongly inhibits the DNA-polymerases from E. coli and calf thymus and weakly the viral enzyme. The inhibitory effect on reverse transcriptase is independent of the choice of template-primer; it could be overcome by the addition of excess enzyme but not of excess template-primer; the inhibition could be completely reversed by dilution of the drug-enzyme mixture. From Lineweaver-Burk analysis, the inhibition is noncompetitive with respect to the template-primer and, thus the drugs bind to the site different from the active site for the template-primer. From protective action of the template-primer and other data it might be suggested that the rifamycin derivatives act at an early step(s) in DNA synthesis catalyzed by reverse transcriptase. The obtained data are in agreement with the results for other derivatives of rifamycin SV described in literature. PMID:68462

  19. Chemically Derived, Ultrasmooth Graphene Nanoribbon Semiconductors

    Microsoft Academic Search

    Xiaolin Li; Xinran Wang; Li Zhang; Sangwon Lee; Hongjie Dai

    2008-01-01

    We developed a chemical route to produce graphene nanoribbons (GNR) with width below 10 nanometers, as well as single ribbons with varying widths along their lengths or containing lattice-defined graphene junctions for potential molecular electronics. The GNRs were solution-phase derived, stably suspended in solvents with noncovalent polymer functionalization, and exhibited ultrasmooth edges with possibly well-defined zigzag or armchair-edge structures. Electrical

  20. Derivative processes for modelling metabolic fluxes

    PubMed Central

    Žurauskien?, Justina; Kirk, Paul; Thorne, Thomas; Pinney, John; Stumpf, Michael

    2014-01-01

    Motivation: One of the challenging questions in modelling biological systems is to characterize the functional forms of the processes that control and orchestrate molecular and cellular phenotypes. Recently proposed methods for the analysis of metabolic pathways, for example, dynamic flux estimation, can only provide estimates of the underlying fluxes at discrete time points but fail to capture the complete temporal behaviour. To describe the dynamic variation of the fluxes, we additionally require the assumption of specific functional forms that can capture the temporal behaviour. However, it also remains unclear how to address the noise which might be present in experimentally measured metabolite concentrations. Results: Here we propose a novel approach to modelling metabolic fluxes: derivative processes that are based on multiple-output Gaussian processes (MGPs), which are a flexible non-parametric Bayesian modelling technique. The main advantages that follow from MGPs approach include the natural non-parametric representation of the fluxes and ability to impute the missing data in between the measurements. Our derivative process approach allows us to model changes in metabolite derivative concentrations and to characterize the temporal behaviour of metabolic fluxes from time course data. Because the derivative of a Gaussian process is itself a Gaussian process, we can readily link metabolite concentrations to metabolic fluxes and vice versa. Here we discuss how this can be implemented in an MGP framework and illustrate its application to simple models, including nitrogen metabolism in Escherichia coli. Availability and implementation: R code is available from the authors upon request. Contact: j.norkunaite@imperial.ac.uk; m.stumpf@imperial.ac.uk Supplementary information: Supplementary data are available at Bioinformatics online. PMID:24578401

  1. Triamine chelants, their derivatives, complexes and conjugates

    DOEpatents

    Troutner, D.E.; John, C.S.; Pillai, M.R.A.

    1995-03-07

    A group of functionalized triamine chelants and their derivatives that form complexes with radioactive metal ions are disclosed. The complexes can be covalently attached to a protein or an antibody or antibody fragment and used for therapeutic and/or diagnostic purposes. The chelants are of the formula, as shown in the accompanying diagrams, wherein n, m, R, R{sup 1}, R{sup 2} and L are defined in the specification.

  2. ELECTRONIC PROPERTIES OF TIO 2 DERIVED NANOBELTS

    Microsoft Academic Search

    D. Cadavid; R. F. Egerton; M. Malac; M. S. Moreno

    2009-01-01

    TiO2-based nanostructures are considered good candidates for a number of applications in numerous fields as environmental decontamination, photocatalysis, electrocatalytic storage, solar cells, antibacterial agent, etc (1-3). These applications are based on their electronic properties and high surface area which need to be characterized. Titania derived nanobelts are sensitive to electron beam irradiation requiring to assess the conditions under which the

  3. Fixed points of higher-derivative gravity.

    PubMed

    Codello, Alessandro; Percacci, Roberto

    2006-12-01

    We recalculate the beta functions of higher-derivative gravity in four dimensions using the one-loop approximation to an exact renormalization group equation. We reproduce the beta functions of the dimensionless couplings that were known in the literature, but we find new terms for the beta functions of Newton's constant and of the cosmological constant. As a result, the theory appears to be asymptotically safe at a non-Gaussian fixed point rather than perturbatively renormalizable and asymptotically free. PMID:17155791

  4. Fixed Points of Higher-Derivative Gravity

    SciTech Connect

    Codello, Alessandro; Percacci, Roberto [Dipartimento di Fisica Teorica, Universita di Trieste, Viale Miramare, I-34014 Trieste (Italy); SISSA, via Beirut 4, I-34014 Trieste, Italy, and INFN, Sezione di Trieste (Italy)

    2006-12-01

    We recalculate the beta functions of higher-derivative gravity in four dimensions using the one-loop approximation to an exact renormalization group equation. We reproduce the beta functions of the dimensionless couplings that were known in the literature, but we find new terms for the beta functions of Newton's constant and of the cosmological constant. As a result, the theory appears to be asymptotically safe at a non-Gaussian fixed point rather than perturbatively renormalizable and asymptotically free.

  5. Myeloid derived suppressor cells in human diseases

    Microsoft Academic Search

    Tim F. Greten; Michael P. Manns; Firouzeh Korangy

    2011-01-01

    Myeloid derived suppressor cells (MDSC) have been described as a heterogeneous cell population with potent immune suppressor function in mice. Limited data are available on MDSC in human diseases. Interpretation of these data is complicated by the fact that different markers have been used to analyze human MDSC subtypes in various clinical settings. Human MDSC are CD11b+, CD33+, HLA-DRneg\\/low and

  6. Canonical structure of higher derivative theories

    NASA Astrophysics Data System (ADS)

    Avraham, Eran; Brustein, Ram

    2014-07-01

    The canonical structure of theories whose Lagrangian contains higher powers of time derivatives is often obscured by the nonlinear relationship between the velocities and momenta. We use the Dirac formalism and define a generalized Legendre transform to overcome some of the difficulties associated with inverting the relation between velocities and momenta. We are then able to define a standard single valued symplectic structure on phase space and a compatible single valued Hamiltonian. We demonstrate the application of our formalism in several examples.

  7. Antifungal activities of some indole derivatives.

    PubMed

    Xu, Hui; Wang, Qin; Yang, Wen-Bin

    2010-01-01

    Nine indole derivatives were evaluated in vitro against Fusarium graminearum, Alternaria alternata, Helminthosporium sorokinianum, Pyricularia oryzae, Fusarium oxysporum f. sp. vasinfectum, Fusarium oxysporum f. sp. cucumarinum, and Alternaria brassicae. Most of the compounds were found to possess antifungal activities. Especially compounds 2, 5, 8, and 9 exhibited broad-spectrum antifungal activities against the above-mentioned seven phytopathogenic fungi, and showed more potent activities than hymexazole, a commercial agricultural fungicide. PMID:20737910

  8. Pregnene derivatives from Solenostemma argel leaves.

    PubMed

    Hassan, H A; Hame, A I; El-Emary, N A; Springue, I V; Mitome, H; Miyaoka, H

    2001-06-01

    Two new pregnene derivatives 14beta-15alpha-dihydroxy-delta4pregnene-3,20 dione and 3beta-14beta,15alpha-16alpha hydroxy-20-oxo-delta5pregnene-tetra-ol, in addition to alpha- and beta-amyrin and beta-sitosterol, were isolated from Solenostemma argel leaves. The structures were established by extensive spectral analysis as well as comparison with reference materials. PMID:11394848

  9. QSAR studies of antibacterial ricinoleic acid derivatives

    Microsoft Academic Search

    B. Narasimhan; V. K. Mourya; A. S. Dhake

    2007-01-01

    A series of ricinoleic acid derivatives has been synthesized and tested for antibacterial activity with respect to four standard\\u000a strains. Dibromoricinoleic acid (DBRA) showed high activity comparable with that of the reference drug ciprofloxacin. QSARs\\u000a between various physicochemical indices and the antibacterial activity of a training set including 12 compounds were analyzed.\\u000a The topological parameter, the valence second-order molecular connectivity

  10. Fluoride removal performance of glass derived hydroxyapatite

    Microsoft Academic Search

    Wen Liang; Lei Zhan; Longhua Piao; Christian R?ssel

    2011-01-01

    A novel sodium calcium borate glass derived hydroxyapatite (G-HAP) with different ranges of particle size was prepared by immersion sodium calcium borate glass in 0.1M K2HPO4 solution by the ratio of 50gL?1 for 7 days. The unique advantage of G-HAP for the adsorption of fluoride ions in solutions was studied. The effects of size and quantity of particles, pH value

  11. Derivation of the null energy condition

    NASA Astrophysics Data System (ADS)

    Parikh, Maulik; van der Schaar, Jan Pieter

    2015-04-01

    We derive the null energy condition, understood as a constraint on the Einstein-frame Ricci tensor, from world sheet string theory. For a closed bosonic string propagating in a curved geometry, the spacetime interpretation of the Virasoro constraint condition is precisely the null energy condition, to leading nontrivial order in the ?' expansion. Thus the deepest origin of the null energy condition lies in world sheet diffeomorphism invariance.

  12. Vanadium and tungsten derivatives as antidiabetic agents

    Microsoft Academic Search

    José L. Domingo

    2002-01-01

    Tungstate is an oxyanion that has biological similarities to vanadate. In recent years, a number of studies have shown the\\u000a antidiabetic effects of oral tungstate in animal models of diabetes. However, because of the tissue accumulation and potential\\u000a toxicity derived from chronic administration of vanadium and tungsten compounds, the pharmacological use of vanadate or tungstate\\u000a in the treatment of diabetes

  13. The derived generalization of thought suppression

    Microsoft Academic Search

    Nic Hooper; Jo Saunders; Louise McHugh

    2010-01-01

    Thought suppression appears to be a relatively ineffective and even counterproductive strategy for dealing with unwanted thoughts.\\u000a However, the psychological processes responsible for unsuccessful suppression are still underspecified. One process that may\\u000a be implicated is derived stimulus relations, which may underlie the formation of unintentional relations that act to hamper\\u000a suppression attempts. To test this prediction, participants were trained and

  14. Addition of Sulfinic Acids to Methacrylic Derivatives

    Microsoft Academic Search

    S. Ivanova; D. Aleksiev

    2010-01-01

    The kinetics of the addition of arenesulfinic acids to methacrylic derivatives were studied. The reactions were found to be second order over a range of concentrations from 0.01 to 0.10 M. For pH values ranging from 4 to 8, the following rate constants were obtained pH the methylacrylate, chloromethylacrylate, and bromomethylacrylate with benzenesulfinic acids (278 K) were investigated: 2.37 (±

  15. Experimental Comparisons of Derivative Free Optimization Algorithms

    E-print Network

    Auger, Anne; Zerpa, Jorge M Perez; Ros, Raymond; Schoenauer, Marc

    2010-01-01

    In this paper, the performances of the quasi-Newton BFGS algorithm, the NEWUOA derivative free optimizer, the Covariance Matrix Adaptation Evolution Strategy (CMA-ES), the Differential Evolution (DE) algorithm and Particle Swarm Optimizers (PSO) are compared experimentally on benchmark functions reflecting important challenges encountered in real-world optimization problems. Dependence of the performances in the conditioning of the problem and rotational invariance of the algorithms are in particular investigated.

  16. Neutrophil-Derived Cytokines: Facts Beyond Expression

    PubMed Central

    Tecchio, Cristina; Micheletti, Alessandra; Cassatella, Marco A.

    2014-01-01

    Polymorphonuclear neutrophils, besides their involvement in primary defense against infections – mainly through phagocytosis, generation of toxic molecules, release of enzymes, and formation of extracellular traps – are also becoming increasingly important for their contribution to the fine regulation in development of inflammatory and immune responses. These latter functions of neutrophils occur, in part, via their de novo production and release of a large variety of cytokines, including chemotactic cytokines (chemokines). Accordingly, the improvement in technologies for molecular and functional cell analysis, along with concomitant advances in cell purification techniques, have allowed the identification of a continuously growing list of neutrophil-derived cytokines, as well as the characterization of their biological implications in vitro and/or in vivo. This short review summarizes crucial concepts regarding the modalities of expression, release, and regulation of neutrophil-derived cytokines. It also highlights examples illustrating the potential implications of neutrophil-derived cytokines according to recent observations made in humans and/or in experimental animal models. PMID:25374568

  17. Perturbative unitarity of Higgs derivative interactions

    E-print Network

    Yohei Kikuta; Yasuhiro Yamamoto

    2014-10-12

    We study the perturbative unitarity bound given by dimension six derivative interactions consisting of Higgs doublets. These operators emerge from kinetic terms of composite Higgs models or integrating out heavy particles that interact with Higgs doublets. They lead to new phenomena beyond the Standard Model. One of characteristic contributions by derivative interactions appear in vector boson scattering processes. Longitudinal modes of massive vector bosons can be regarded as Nambu Goldstone bosons eaten by each vector field with the equivalence theorem. Since their effects become larger and larger as the collision energy of vector bosons increases, vector boson scattering processes become important in a high energy region around the TeV scale. On the other hand, in such a high energy region, we have to take the unitarity of amplitudes into account. We have obtained the unitarity condition in terms of the parameter included in the effective Lagrangian for one Higgs doublet models. Applying it to some of models, we have found that contributions of derivative interactions are not so large enough to clearly discriminate them from the Standard Model ones. We also study it in two Higgs doublet models. Because they are too complex to obtain the bound in the general effective Lagrangian, we have calculated it in explicit models. These analyses tell us highly model dependence of the perturbative unitarity bounds.

  18. Derivation of naïve human embryonic stem cells

    PubMed Central

    Ware, Carol B.; Nelson, Angelique M.; Mecham, Brigham; Hesson, Jennifer; Zhou, Wenyu; Jonlin, Erica C.; Jimenez-Caliani, Antonio J.; Deng, Xinxian; Cavanaugh, Christopher; Cook, Savannah; Tesar, Paul J.; Okada, Jeffrey; Margaretha, Lilyana; Sperber, Henrik; Choi, Michael; Blau, C. Anthony; Treuting, Piper M.; Hawkins, R. David; Cirulli, Vincenzo; Ruohola-Baker, Hannele

    2014-01-01

    The naïve pluripotent state has been shown in mice to lead to broad and more robust developmental potential relative to primed mouse epiblast cells. The human naïve ES cell state has eluded derivation without the use of transgenes, and forced expression of OCT4, KLF4, and KLF2 allows maintenance of human cells in a naïve state [Hanna J, et al. (2010) Proc Natl Acad Sci USA 107(20):9222–9227]. We describe two routes to generate nontransgenic naïve human ES cells (hESCs). The first is by reverse toggling of preexisting primed hESC lines by preculture in the histone deacetylase inhibitors butyrate and suberoylanilide hydroxamic acid, followed by culture in MEK/ERK and GSK3 inhibitors (2i) with FGF2. The second route is by direct derivation from a human embryo in 2i with FGF2. We show that human naïve cells meet mouse criteria for the naïve state by growth characteristics, antibody labeling profile, gene expression, X-inactivation profile, mitochondrial morphology, microRNA profile and development in the context of teratomas. hESCs can exist in a naïve state without the need for transgenes. Direct derivation is an elusive, but attainable, process, leading to cells at the earliest stage of in vitro pluripotency described for humans. Reverse toggling of primed cells to naïve is efficient and reproducible. PMID:24623855

  19. Joint moments of derivatives of characteristic polynomials

    E-print Network

    Paul-Olivier Dehaye

    2007-09-17

    We investigate the joint moments of the 2k-th power of the characteristic polynomial of random unitary matrices with the 2h-th power of the derivative of this same polynomial. We prove that for a fixed h, the moments are given by rational functions of k, up to a well-known factor that already arises when h=0. We fully describe the denominator in those rational functions (this had already been done by Hughes experimentally), and define the numerators through various formulas, mostly sums over partitions. We also use this to formulate conjectures on joint moments of the zeta function and its derivatives, or even the same questions for the Hardy function, if we use a ``real'' version of characteristic polynomials. Our methods should easily be applicable to other similar problems, for instance with higher derivatives of characteristic polynomials. NOTE: More data is available on the author's website or attached to the LaTeX source of this arXiv submission.

  20. Hydrodynamic Nambu brackets derived by geometric constraints

    NASA Astrophysics Data System (ADS)

    Blender, Richard; Badin, Gualtiero

    2015-03-01

    A geometric approach to derive the Nambu brackets for ideal two-dimensional (2D) hydrodynamics is suggested. The derivation is based on two-forms with vanishing integrals in a periodic domain, and with resulting dynamics constrained by an orthogonality condition. As a result, 2D hydrodynamics with vorticity as dynamic variable emerges as a generic model, with conservation laws which can be interpreted as enstrophy and energy functionals. Generalized forms like surface quasi-geostrophy and fractional Poisson equations for the stream-function are also included as results from the derivation. The formalism is extended to a hydrodynamic system coupled to a second degree of freedom, with the Rayleigh–Bénard convection as an example. This system is reformulated in terms of constitutive conservation laws with two additive brackets which represent individual processes: a first representing inviscid 2D hydrodynamics, and a second representing the coupling between hydrodynamics and thermodynamics. The results can be used for the formulation of conservative numerical algorithms that can be employed, for example, for the study of fronts and singularities.

  1. Transformation of spatial and perturbation derivatives of travel time

    E-print Network

    Cerveny, Vlastislav

    Transformation of spatial and perturbation derivatives of travel time at a general interface We consider the partial derivatives of travel time with respect to both spatial coordinates and perturbation parameters. We derive the explicit equations for transforming these travel­time derivatives

  2. Stem cell-derived neurons functionally integrate in

    E-print Network

    Fortuna, Miguel A.

    Stem cell-derived neurons functionally integrate in living mice Neurons derived from stem cells that, after transplantation into living animals, human stem cell-derived neurons can receive neuronal human embryonic stem cell (hESC)-derived neurons engineered to be specifically activated by light

  3. Superstability of multipliers and ring derivations on Banach algebras

    Microsoft Academic Search

    Takeshi Miura; Hirokazu Oka; Go Hirasawa; Sin-Ei Takahasi

    2007-01-01

    In this paper, we will consider Hyers-Ulam-Rassias stability of\\u000amultipliers and ring derivations between Banach algebras. As a corollary, we will prove superstability of ring derivations and\\u000amultipliers. That is, approximate multipliers and approximate ring derivations are exact multipliers and ring derivations.

  4. Homing missile autopilot response sensitivity to stability derivative variations

    Microsoft Academic Search

    F. William Nesline; Mark L. Nesline

    1984-01-01

    In a recent study, the robustness of a tail controlled homing missile constant gain autopilot to changes in the aerodynamic stability derivative M¿ was examined. The constant gains were determined from nominal values of the aerodynamic control derivative, M¿, and the stability derivative. The stability derivative was then varied in the positive direction until damping degraded to unacceptable levels and

  5. Hydroxylated Sclerosporin Derivatives from the Marine-derived Fungus Cadophora malorum†

    PubMed Central

    Almeida, Celso; Eguereva, Ekaterina; Kehraus, Stefan; Siering, Carsten; König, Gabriele M.

    2010-01-01

    The marine-derived fungus Cadophora malorum was isolated from the green alga Enteromorpha sp. Growth on a biomalt medium supplemented with sea salt yielded an extract from which we have isolated sclerosporin and four new hydroxylated sclerosporin derivatives, namely 15-hydroxysclerosporin (2), 12-hydroxysclerosporin (3), 11-hydroxysclerosporin (4) and 8-hydroxysclerosporin (5). The compounds were evaluated in various biological activity assays. Compound 5 showed a weak fat-accumulation inhibitory activity against 3T3-L1 murine adipocytes. PMID:20052971

  6. Crystallographic investigations of biotin and carboxybiotin derivatives.

    PubMed

    Stallings, W; Detitta, G T

    1985-01-01

    The structures of a family of biotin and carboxybiotin derivatives have provided information on the mechanism of biotin action. The ureido moiety of the uncarboxylated cofactor is polarized and able to interact with ions and polar molecules; intermolecular interactions in the biotin derivatives suggest biochemical mechanisms resulting in nucleophilic activation to the enol tautomer. N1' carboxylation of biotin is important not only as a chemical reaction to generate the carboxyl-transferring species, carboxybiotin, but also in acting as a switch to depolarize the ureido carbonyl oxygen, and thereby facilitating interactions with non-polar molecules. The structure of an N1' methoxycarbonyl biotin derivative reveals such an interaction between the carbonyl oxygen, O2', and a neighboring methyl group. A computer-generated space-filing model of the van der Waals contacts involved in this interaction reveals that the methyl group is locked with respect to rotation and thus suggests a structural basis for the stereospecificity observed in the carboxyl-transferring half-reaction. The flexibility of the valeryl side chains in this family of structures provides translocation models in line with magnetic resonance data which indicate that the translocation events involve motions of, at most, 7 A. Our models demonstrate that such motions may be accomplished by simple, observed conformational changes in bonds of the valeryl side chain which locally adjoin the bicyclic ring system. High resolution, low temperature diffraction data will allow visualization of the bonding and lone pair electrons in biotin. These studies will serve to extend and fine-tune our description of the electronic structure of biotin which is currently based on accurate measurements of bond distances and angles. PMID:3860171

  7. Derivation of Canine Induced Pluripotent Stem Cells.

    PubMed

    Baird, Aeg; Barsby, T; Guest, D J

    2015-08-01

    Dogs and humans have many inherited genetic diseases in common and conditions that are increasingly prevalent in humans also occur naturally in dogs. The use of dogs for the experimental and clinical testing of stem cell and regenerative medicine products would benefit canine health and welfare and provide relevant animal models for the translation of therapies to the human field. Induced pluripotent stem cells (iPSCs) have the capacity to turn into all cells of the body and therefore have the potential to provide cells for therapeutic use and for disease modelling. The objective of this study was to derive and characterize iPSCs from karyotypically abnormal adult canine cells. Aneuploid adipose-derived mesenchymal stromal cells (AdMSCs) from an adult female Weimeraner were re-programmed into iPSCs via overexpression of four human pluripotency factors (Oct 4, Sox2, Klf4 and c-myc) using retroviral vectors. The iPSCs showed similarity to human ESCs with regard to morphology, pluripotency marker expression and the ability to differentiate into derivatives of all three germ layers in vitro (endoderm, ectoderm and mesoderm). The iPSCs also demonstrated silencing of the viral transgenes and re-activation of the silent X chromosome, suggesting full reprogramming had occurred. The levels of aneuploidy observed in the AdMSCs were maintained in the iPSCs. This finding demonstrates the potential for generating canine induced pluripotent stem cells for use as disease models in addition to regenerative medicine and pharmaceutical testing. PMID:26074059

  8. Higher Derivative versus Second Order Field Equations

    NASA Astrophysics Data System (ADS)

    Müller-Hoissen, F.

    The first part of this work reviews problems of (particle and field) theories with higher than second time derivatives. The second part gives an overview about the known results concerning the structure of bosonic field theories with at most second order equations.Translated AbstractFeldgleichungen höherer versus zweiter OrdnungDie erste Hälfte dieser Arbeit faßt die bekannten Probleme von (Teilchenund Feld-)Gleichungen mit höheren als zweiten Zeitableitungen zusammen. In der zweiten Hälfte wird eine Übersicht über die Struktur der komplementären Klasse von Feldgleichungen mit höchstens zweiten Zeitableitungen für bosonische Felder gegeben.

  9. Black holes in higher derivative gravity.

    PubMed

    Lü, H; Perkins, A; Pope, C N; Stelle, K S

    2015-05-01

    Extensions of Einstein gravity with higher-order derivative terms arise in string theory and other effective theories, as well as being of interest in their own right. In this Letter we study static black-hole solutions in the example of Einstein gravity with additional quadratic curvature terms. A Lichnerowicz-type theorem simplifies the analysis by establishing that they must have vanishing Ricci scalar curvature. By numerical methods we then demonstrate the existence of further black-hole solutions over and above the Schwarzschild solution. We discuss some of their thermodynamic properties, and show that they obey the first law of thermodynamics. PMID:25978224

  10. Dietary derived compounds in cancer chemoprevention

    PubMed Central

    Rzeski, Wojciech

    2012-01-01

    Cancer chemoprevention is defined as the application of natural or synthetic agents to suppress or reverse cancer development and progression. In this field especially diet derived compounds have recently attracted researchers’ attention as potential therapeutics generally exerting low toxicity compared with regular drugs. This review presents a survey of recent findings concerning the most promising dietary chemopreventive agents such as green tea polyphenols (i.e. catechins), long-chain polyunsaturated fatty acids, carotenoids, glucosinolates/isothiocyanates, vitamins (i.e. vitamin D and folate) and minerals (i.e. calcium and selenium). Molecular targets involved in intrinsic pathways affected by these natural compounds are also shortly discussed. PMID:23788916

  11. Diphenylurea Derivatives Induce Somatic Embryogenesis in Citrus

    Microsoft Academic Search

    Angela Carra; Fabio De Pasquale; Ada Ricci; Francesco Carimi

    2006-01-01

    The present research investigates the possibility that three diphenylurea (DPU) derivatives, N-phenyl-N?-benzothiazol-6-ylurea (PBU), N,N?-bis-(2,3-methilendioxyphenyl)urea (2,3-MDPU) and N,N?-bis-(3,4-methilendioxyphenyl)urea (3,4-MDPU), stimulate the induction of somatic embryogenesis in three Citrus species. The hypothetical embryogenic activity was assessed using stigma and styles of Citrus myrtifolia Raf., Citrus madurensis Lour. and Citrus limon (L.) Burm. The three compounds influenced the production of somatic embryos differently

  12. Enhanced cubic optical nonlinearity of oligoazine derivatives

    NASA Astrophysics Data System (ADS)

    Singh, Vijender; Aghamkar, Praveen; Malik, Rajesh Kumar

    2014-06-01

    We report a large positive third-order optical nonlinearity of synthesized oligoazine derivatives (OADs) using z-scan technique at 532 nm by Q-switched Nd:YAG laser. Optical band gap of OADs shrinks with increasing repeated units. Origin of large cubic nonlinearity is in the extensive ?-electron delocalization. We obtained the values of and in OADs. Moreover, values of optical nonlinearity of OADs show reasonable agreement with the theoretically predicted values. We have shown OADs could be used as good reverse saturable absorber and self-focusing materials. Optical limiting, due to reverse saturable absorption, has also been successfully demonstrated at 532 nm.

  13. A geometrical derivation of the Dirac equation

    E-print Network

    Y. Jack Ng; H. van Dam

    2003-02-04

    We give a geometrical derivation of the Dirac equation by considering a spin-1/2 particle travelling with the speed of light in a cubic spacetime lattice. The mass of the particle acts to flip the multi-component wavefunction at the lattice sites. Starting with a difference equation for the case of one spatial and one time dimensions, we generalize the approach to higher dimensions. Interactions with external electromagnetic and gravitational fields are also considered. One logical interpretation is that only at the lattice sites is the spin-1/2 particle aware of its mass and the presence of external fields.

  14. Adipose derived stem cells and nerve regeneration

    PubMed Central

    Faroni, Alessandro; Smith, Richard JP; Reid, Adam J

    2014-01-01

    Injuries to peripheral nerves are common and cause life-changing problems for patients alongside high social and health care costs for society. Current clinical treatment of peripheral nerve injuries predominantly relies on sacrificing a section of nerve from elsewhere in the body to provide a graft at the injury site. Much work has been done to develop a bioengineered nerve graft, precluding sacrifice of a functional nerve. Stem cells are prime candidates as accelerators of regeneration in these nerve grafts. This review examines the potential of adipose-derived stem cells to improve nerve repair assisted by bioengineered nerve grafts. PMID:25221589

  15. Kinetic resolutions of indan derivatives using bacteria.

    PubMed

    Tarui, Naoki; Watanabe, Hayao; Fukatsu, Kohji; Ohkawa, Shigenori; Nakahama, Kazuo

    2002-02-01

    Racemic indan derivatives have been resolved by the hydrolysis of amide bonds using Corynebacterium ammoniagenes IFO12612 to produce (S)-amine and (R)-amides. In the kinetic resolution of 1 (N-12-(6-methoxy-indan-1-yl)ethyl]acetamide), it was possible to run the reaction to 44% conversion on a 10-g scale, obtaining (S)-amine 4 ((S)-2-(6-methoxy-indan-1-yl)ethylamine) at >99% enantiomeric excess (ee) and (R)-1 at 98% ee. PMID:11999429

  16. New naphthoquinone derivatives against glioma cells.

    PubMed

    Redaelli, Marco; Mucignat-Caretta, Carla; Isse, Abdirisak Ahmed; Gennaro, Armando; Pezzani, Raffaele; Pasquale, Riccardo; Pavan, Valeria; Crisma, Marco; Ribaudo, Giovanni; Zagotto, Giuseppe

    2015-05-26

    This work was aimed to the development of a set of new naphtoquinone derivatives that can act against glioma. The compounds were tested in order to find out their ability to inhibit the growth of glioma cells, and the results of these assays were correlated with electrochemical analysis and NMR-based reoxidation kinetic studies, suggesting that a redox mechanism underlies and may explain the observed biological behavior. In addition to a full description of the synthetic pathways, electrochemistry, NMR and single crystal X-ray diffraction data are provided. PMID:25916907

  17. Deriving the Ages of Field White Dwarfs

    NASA Astrophysics Data System (ADS)

    von Hippel, Ted; van Dyk, David; Si, Shijing; Montgomery, Michael; O'Malley, Erin; Robinson, Elliot; Stenning, David; Stein, Nathan; Kraczek, Elizabeth Jeffery; Jefferys, William H.; Webster, Aaron

    2015-06-01

    We apply a self-consistent and robust Bayesian statistical approach along with modern model ingredients to determine the posterior distributions of ages, distances, and ZAMS masses of old field white dwarfs from the Galactic disk, thick disk, and halo. Our technique requires only quality optical and near-IR photometry to derive ages with ? 15% uncertainties. We additionally predict the capabilities of these techniques in the GAIA era, when we will possess distances accurate to 1-2% for thousands of white dwarfs.

  18. Studies on hydrazone derivatives as antifungal agents.

    PubMed

    Ozdemir, Ahmet; Turan-Zitouni, Gulhan; Kaplancikli, Zafer Asim; Demirci, Fatih; Iscan, Gokalp

    2008-08-01

    The increasing clinical importance of drug-resistant fungal pathogens has urged additional need to fungal research and new antifungal compound development. For this purpose, some N-(1-benzyl-2-phenylethylidene)-N'-[4-(aryl)thiazol-2-yl]hydrazone (1a-e) and N-(1-phenylbutylidene)-N'-[4-(aryl)thiazol-2-yl]hydrazone (2a-e) derivatives were synthesised and evaluated for antifungal activity. Their antifungal activities against standard and clinical strands of Candida albicans, Candida glabrata, Candida utilis, Candida tropicalis, Candida krusei, Candida zeylanoides, and Candida parapsilosis were investigated. A significant level of activity was observed. PMID:18665994

  19. Simple derivation of the Lindblad equation

    NASA Astrophysics Data System (ADS)

    Pearle, Philip

    2012-07-01

    The Lindblad equation is an evolution equation for the density matrix in quantum theory. It is the general linear, Markovian, form which ensures that the density matrix is Hermitian, trace 1, positive and completely positive. Some elementary examples of the Lindblad equation are given. The derivation of the Lindblad equation presented here is ‘simple’ in that all it uses is the expression of a Hermitian matrix in terms of its orthonormal eigenvectors and real eigenvalues. Thus, it is appropriate for students who have learned the algebra of quantum theory. Where helpful, arguments are first given in a two-dimensional Hilbert space.

  20. Langevin molecular dynamics derived from Ehrenfest dynamics

    E-print Network

    Anders Szepessy

    2011-03-30

    Stochastic Langevin molecular dynamics for nuclei is derived from the Ehrenfest Hamiltonian system (also called quantum classical molecular dynamics) in a Kac-Zwanzig setting, with the initial data for the electrons stochastically perturbed from the ground state and the ratio, $M$, of nuclei and electron mass tending to infinity. The Ehrenfest nuclei dynamics is approximated by the Langevin dynamics with accuracy $o(M^{-1/2})$ on bounded time intervals and by $o(1)$ on unbounded time intervals, which makes the small $\\mathcal{O}(M^{-1/2})$ friction and $o(M^{-1/2})$ diffusion terms visible. The initial electron probability distribution is a Gibbs density at low temperture, derived by a stability and consistency argument: starting with any equilibrium measure of the Ehrenfest Hamiltonian system, the initial electron distribution is sampled from the equilibrium measure conditioned on the nuclei positions, which after long time leads to the nuclei positions in a Gibbs distribution (i.e. asymptotic stability); by consistency the original equilibrium measure is then a Gibbs measure.The diffusion and friction coefficients in the Langevin equation satisfy the Einstein's fluctuation-dissipation relation.

  1. Model-Derived Multisensor Target Discrimination

    NASA Astrophysics Data System (ADS)

    Vogel, Mark A.; Chan, Tony C.

    1989-01-01

    Prediction of target signatures using complex computer models of targets and sensor characteristics permits the development of robust target discrimination algorithms in the absence of large data collections. This paper describes the methodology of employing model-derived data in multisensor target discrimination activities. The signature predictions not only provide reference data for algorithms but also aid in the design optimization of multisensor collection configurations. Due to their ability to process more information, multisensor target recognition algorithms are expected to outperform single sensor designs. Development of multisensor algorithms is hampered by extensive requirements for registered training and reference data. By relying heavily on predicted signatures for sensor parameter selection and algorithm development, the required quantity of sensed data collection is greatly reduced. The usefulness of the collected data is focused and enhanced by examination of modeling and validation requirements. Final expansion of algo-rithm designs from straightforward pattern recognition approaches to more highly-evolved model-based recognition concepts is more easily bridged when model-derived data plays a significant role at each developmental stage.

  2. Derive capillary pressure from well logs

    SciTech Connect

    Ibrahim, A. (Suez Canal Univ. (Egypt)); Desbrandes, R.; Bassiouni, Z. (Louisiana State Univ., Baton Rouge, LA (United States))

    1994-07-01

    A new approach has been developed to estimate in-situ capillary pressure and relative permeability characteristics in the transition zone. The technique is based on incorporating petrophysical data measured on core samples with well log analysis. Relative permeability can be determined for both drainage and inhibition conditions using the matched capillary pressure data. A technique has been developed to extrapolate petro-physical data where core data is absent or not representative of in-situ conditions. It is based on using log data to derive a water saturation vs. depth profile in the transition zone of the formation of interest. The log-derived water saturation distribution is then correlated to generalized capillary pressure curves typical of the formation studied. The capillary pressure type curves are generated from available core data and other petrophysical information. Relative permeability curves are then generated using correlations based on Purcell's model. The technique can be used in multi-layered and homogeneous reservoirs provided that one homogeneous layer is at least 20 ft thick.

  3. New derivative of carnosine for nanoparticle assemblies.

    PubMed

    Bellia, Francesco; Oliveri, Valentina; Rizzarelli, Enrico; Vecchio, Graziella

    2013-01-01

    Carnosine (?-alanyl-l-histidine) is an endogenous dipeptide, extensively studied owing to its multifunctional activity exhibited in tissues of several animal species. This natural compound may act as a physiological buffer, ion-chelating agent (especially for copper(II) and zinc(II)), antioxidant and antiglycating agent. The main limit for the therapeutical uses of carnosine is the rapid hydrolysis mostly in human plasma by carnosinase. The chemical derivatization of carnosine is a promising strategy to improve the bioavailability of the dipeptide and facilitating the site-specific transport to different tissues. On this basis, a new carnosine derivative with biotin was synthesized and structurally characterized by NMR and MS measurements, with aim of exploiting the avidin-biotin technology that offers a universal system for selective delivery of any biotinylated agent. The stability of the new carnosine derivative towards the hydrolytic action of serum carnosinase as well as the copper(II) binding ability of the carnosine-biotin conjugate were also assessed. The binding affinity of the new molecular entity to avidin and streptavidin, investigated by a spectrophotometric assay, was exploited to functionalize avidin- and streptavidin-gold nanoparticles with the carnosine-biotin conjugate. PMID:24158014

  4. Quinolines derivatives as novel sunscreening agents.

    PubMed

    Polonini, Hudson C; Dias, Rafael M P; Souza, Isabela O; Gonçalves, Karla Mara; Gomes, Tiago B B; Raposo, Nádia R B; da Silva, Adilson David

    2013-08-15

    Currently, the research and development of sunscreens play an important role on the synthesis of actives that are stable in various kinds of formulations-in addition to their efficiency and broad spectrum of protection against ultraviolet radiation. Our objective here was to synthesize new sunscreening chemical agents using quinoline as a base molecule. Twelve quinoline derivatives were synthesized, four of them novel molecules, and their photoprotective activity was determined in vitro using diffuse transmittance spectrophotometry. We determined their SPF, UVAPF, UVA/UVB ratio, critical wavelength and Boots Star Rating. The quinolines derivatives presented a varied profile of photoprotection, their SPF ranging from 2 to 11 and their UVAPF from 2 to 7. In terms of the critical wavelength, all molecules were considered of broad-spectrum by different classifications. Regarding the Boots Star Rating, one compound received no rating, seven of them received a three stars rating, three received a four stars rating and three were given a five stars rating. The molecules showed in the present work have a wide range of possibilities for creating new sunscreen products, once they have good SPF or UVAPF for single molecules, and they also possess other different qualities that can act synergistically. PMID:23856048

  5. Metabolism of hop-derived bitter acids.

    PubMed

    Cattoor, Ko; Dresel, Michael; De Bock, Lies; Boussery, Koen; Van Bocxlaer, Jan; Remon, Jean-Paul; De Keukeleire, Denis; Deforce, Dieter; Hofmann, Thomas; Heyerick, Arne

    2013-08-21

    In this study, in vitro metabolism of hop-derived bitter acids was investigated. Besides their well-known use as bitter compounds in beer, in several studies, bioactive properties have been related to these types of molecules. However, scientific data on the absorption, distribution, metabolism, and excretion aspects of these compounds are limited. More specific, in this study, ?-acids, ?-acids, and iso-?-acids were incubated with rabbit microsomes, and fractions were subjected to LC-MS/MS analysis for identification of oxidative biotransformation products. Metabolism of ?-acids was mainly characterized by conversion into hulupones and the formation of a series of tricyclic oxygenated products. The most important metabolites of ?-acids were identified as humulinones and hulupones. Iso-?-acids were found to be primarly metabolized into cis- and trans-humulinic acids, next to oxidized alloiso-?-acids. Interestingly, the phase I metabolites were highly similar to the oxidative degradation products in beer. These findings show a first insight into the metabolites of hop-derived bitter acids and could have important practical implications in the bioavailability aspects of these compounds, following ingestion of hop-based food products and nutraceuticals. PMID:23898921

  6. Tulczyjew Triples in Higher Derivative Field Theory

    E-print Network

    Katarzyna Grabowska; Luca Vitagliano

    2015-02-20

    The geometrical structure known as Tulczyjew triple has been used with success in analytical mechanics and first order field theory to describe a wide range of physical systems including Lagrangian/Hamiltonian systems with constraints and/or sources, or with singular Lagrangian. Starting from the first principles of the variational calculus we derive Tulczyjew triples for classical field theories of arbitrary high order, i.e. depending on arbitrary high derivatives of the fields. A first triple appears as the result of considering higher order theories as first order ones with configurations being constrained to be holonomic jets. A second triple is obtained after a reduction procedure aimed at getting rid of nonphysical degrees of freedom. This picture we present is fully covariant and complete: it contains both Lagrangian and Hamiltonian formalisms, in particular the Euler-Lagrange equations. Notice that, the required Geometry of jet bundles is affine (as opposed to the linear Geometry of the tangent bundle). Accordingly, the notions of affine duality and affine phase space play a distinguished role in our picture. In particular the Tulczyjew triples in this paper consist of morphisms of double affine-vector bundles which, moreover, preserve suitable presymplectic structures.

  7. Generation of deletion derivatives by targeted transformation of human-derived yeast artificial chromosomes

    SciTech Connect

    Pavan, W.J.; Hieter, P.; Reeves, R.H. (Johns Hopkins Univ. School of Medicine, Baltimore, MD (USA))

    1990-02-01

    Mammalian DNA segments cloned as yeast artificial chromosomes (YACs) can be manipulated by DNA-mediated transformation when placed in an appropriate yeast genetic background. A fragmenting vector has been developed that can introduce a yeast telomere and selectable marker into human-derived YACs at specific sites by means of homologous recombination, deleting all sequences distal to the recombination site. A powerful application of the method uses a human Alu family repeat sequence to target recombination to multiple independent sites on a human-derived YAC. Sets of deletion derivatives generated by this procedure greatly facilitate restriction mapping of large genomic segments. Targeting recombination with single copy sequences, such as cDNAs, will have many additional applications. This approach establishes a paradigm for manipulation and characterization of mammalian DNA segments cloned as YACs.

  8. Population Pharmacokinetics of 3-Aminopyridine-2-Carboxaldehyde Thiosemicarbazone (Triapine®) in Cancer Patients

    PubMed Central

    Kolesar, Jill; Brundage, Richard C.; Pomplun, Marcia; Alberti, Dona; Holen, Kyle; Traynor, Anne; Ivy, Percy; Wilding, George

    2011-01-01

    Purpose The purpose of this study was to develop a population pharmacokinetic (PK) model for 3-AP pharmacokinetics and to evaluate the effect of ABCB1 polymorphisms on the pharmacokinetic profile of 3-AP and to assess the relationship between 3AP disposition and patient covariates. Methods A total of 40 patients with advanced cancer from two phase 1 studies were included in the population PK model building. Patients received 3-AP 25–105 mg/m2 IV on day 1. 3-AP plasma and erythrocyte levels were sampled at 10 timepoints over a 24-hour period and measured by a validated HPLC method. Data were analyzed by a nonlinear mixed-effects modeling approach using the NONMEM system. Results 3AP pharmacokinetics were described as a 3-compartment model with first-order elimination. One compartment representing the plasma and another representing erythrocyte concentrations. Gender was associated with volume of distribution, in which women had a lower V2. The number of cycles administered was associated with clearance; those with decreased clearance were more likely to receive less than 2 cycles before going off study. Conclusion This study suggests that monitoring 3-AP plasma concentrations in the first cycle and dose adjustment in those with decreased clearance may be helpful in decreasing toxicity associated with the 3-AP. PMID:20440618

  9. Spectral studies of cobalt(II) complexes of 12-membered macrocyclic ligands having thiosemicarbazone moieties

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Pundir, Meenakshi

    2007-11-01

    Cobalt(II) complexes of general composition [Co(L)X 2] and [Co(L 1)X 2] where (X = NO 3-, CH 3COO -, Cl -, Br -, NCS -, (1/2)SO 4-2); L = 5,11-diethyl-6,12-dimethyl-3,8-dithione-1,2,4,7,9,10-hexaaza cyclododeca-1,4,6,10-tetraene and L 1 = 5,11-diethyl-6,12-dimethyl-3,8-dione-1,2,4,7,9,10-hexaaza cyclododeca-1,4,6,10-tetraene with tetradentate 12-membered macrocyclic ligands have been synthesized and characterized by elemental analysis, magnetic susceptibility, IR, electronic and electon spin resonance spectral studies. The various physico-chemical techniques suggest a coordination number six (octahedral geometry) for chloro, nitrato, bromo and thiocyanato complexes, and five-coordinated trigonal bipyramidal geometry for sulphato complexes. All the complexes are of high spin type showing magnetic moment corresponding to three unpaired electrons. All the complexes were also screened against bacteria and pathogenic fungi in vitro.

  10. A new glutarimide derivative from marine sponge-derived Streptomyces anulatus S71.

    PubMed

    Sun, Dandan; Sun, Wei; Yu, Yinxian; Li, Zhiyong; Deng, Zixin; Lin, Shuangjun

    2014-01-01

    Four glutarimide-derived compounds including a new 3-[2-[2-hydroxy-3-methylphenyl-5-(hydroxymethyl)]-2-oxoethyl] glutarimide (1) and three known 3-[2-(2-hyroxy-3,5- dimethylphenyl)-2-oxoethyl] glutarimide (2, actiphenol), 3-hydroxy-3-[2-(2-hydroxy-3,5-dimethylphenyl)-2-oxoethyl] glutarimide (3) and 3-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl] glutarimide (4), along with a known indole alkaloid 3-(hydroxyacetyl) indole (5), were isolated from ethyl acetate extract of the fermentation broth of the marine sponge-derived Streptomyces anulatus S71. Their structures were deduced by extensive studies of NMR and mass spectra. PMID:24949797

  11. Cytotoxic Anthranilic Acid Derivatives from Deep Sea Sediment-Derived Fungus Penicillium paneum SD-44

    PubMed Central

    Li, Chun-Shun; Li, Xiao-Ming; Gao, Shu-Shan; Lu, Yan-Hua; Wang, Bin-Gui

    2013-01-01

    Five new anthranilic acid derivatives, penipacids A–E (1–5), together with one known analogue (6), which was previously synthesized, were characterized from the ethyl acetate extract of the marine sediment-derived fungus Penicillium paneum SD-44. Their structures were elucidated mainly by extensive NMR spectroscopic and mass spectrometric analysis. The cytotoxicity and antimicrobial activity of the isolated compounds were evaluated. Compounds 1, and 5 exhibited inhibitory activity against human colon cancer RKO cell line, while compound 6 displayed cytotoxic activity against Hela cell line. PMID:23966037

  12. Genetic instability in calamondin ( Citrus madurensis Lour.) plants derived from somatic embryogenesis induced by diphenylurea derivatives

    Microsoft Academic Search

    Mirko Siragusa; Angela Carra; Lidia Salvia; Anna Maria Puglia; Fabio De Pasquale; Francesco Carimi

    2007-01-01

    Somatic embryos were regenerated in vitro from calamondin style–stigma explants cultured in the presence of N\\u000a 6-benzylaminopurine (BAP) cytokinin and three synthetic phenylurea derivatives, N-(2-chloro-4-pyridyl)-N-phenylurea (4-CPPU), N-phenyl-N?-benzothiazol-6-ylurea (PBU) and N,N?-bis-(2,3-methilendioxyphenyl)urea (2,3-MDPU). The phenylurea derivative compounds tested at micromolar level (12 ?M) were\\u000a able to induce a percentage of responsive explants significantly higher from that obtained with BAP and hormone-free (HF)\\u000a conditions.

  13. Overview of medically important antifungal azole derivatives.

    PubMed Central

    Fromtling, R A

    1988-01-01

    Fungal infections are a major burden to the health and welfare of modern humans. They range from simply cosmetic, non-life-threatening skin infections to severe, systemic infections that may lead to significant debilitation or death. The selection of chemotherapeutic agents useful for the treatment of fungal infections is small. In this overview, a major chemical group with antifungal activity, the azole derivatives, is examined. Included are historical and state of the art information on the in vitro activity, experimental in vivo activity, mode of action, pharmacokinetics, clinical studies, and uses and adverse reactions of imidazoles currently marketed (clotrimazole, miconazole, econazole, ketoconazole, bifonazole, butoconazole, croconazole, fenticonazole, isoconazole, oxiconazole, sulconazole, and tioconazole) and under development (aliconazole and omoconazole), as well as triazoles currently marketed (terconazole) and under development (fluconazole, itraconazole, vibunazole, alteconazole, and ICI 195,739). PMID:3069196

  14. ?-glucuronidase inhibitory studies on coumarin derivatives.

    PubMed

    Khan, Khalid Mohammed; Fakhri, Muhammad Imran; Shaikh, Nimra Naveed; Saad, Syed Muhammad; Hussain, Shafqat; Perveen, Shahnaz; Choudhary, Muhammad Iqbal

    2014-01-01

    Twenty-three (23) derivatives of coumarin (5-27) were synthesized and screened for their in vitro ?- glucuronidase (E. coli) inhibitory activities. Only three compounds, 7,8-dihydroxy-4-methyl-2H-chromen-2-one (9) (IC50 = 52.39 ± 1.85 µM), 3-chloro-6-hexyl-7-hydroxy-4-methyl-2H-chromen-2-one (18) (IC50 = 60.50 ± 0.87 µM), and 3,6- dichloro-7-hydroxy-4-methyl-2H-chromen-2-one (15) (IC50 = 380.26 ± 0.92 µM) displayed activities against ?- glucuronidase as compared to standard D-saccharic acid 1,4-lactone (IC50 = 45.75 ± 2.16 µM). The results indicated that the activity of the synthetic coumarins depends upon the substituents present on the coumarin skeleton. PMID:24611780

  15. Chaotic inflation in higher derivative gravity theories

    E-print Network

    Shynaray Myrzakul; Ratbay Myrzakulov; Lorenzo Sebastiani

    2015-02-25

    In this paper, we investigate chaotic inflation from scalar field subjected to potential in the framework of $f(R^2, P, Q)$-gravity, where we add a correction to Einstein's gravity based on a function of the square of the Ricci scalar $R^2$, the contraction of the Ricci tensor $P$, and the contraction of the Riemann tensor $Q$. The Gauss-Bonnet case is also discussed. We give the general formalism of inflation, deriving the slow-roll parameters, the $e$-folds number, and the spectral indexes. Several explicit examples are furnished, namely we will consider the cases of massive scalar field and scalar field with quartic potential and some power-law function of the curvature invariants under investigation in the gravitational action of the theory. Viable inflation according with observations is analyzed.

  16. Chlorine NQR on Derivatives of Chloral

    NASA Astrophysics Data System (ADS)

    Hashimoto, Masao; Weiden, Norbert; Weiss, Alarich

    1980-10-01

    The 35Cl-NQR spectrum of several derivatives of chloral, Cl3CCHO, was studied in the ranee 77 K ? T ? Tm. By use of the spin echo double resonance technique a relative assignment of the resonances to different Cl3C-groups within one crystallized compound was possible. The solid compounds studied are: High temperature phase of chloral hydrate, Cl3CCH(OH)2; parachloral, (Cl3CCHO)3, (?-and ß-isomer); the two phases of chloral hemihydrate Cl3CCHO · 1/2 H2O; chloralide (II); chloralhemithiohydrate, Cl3CCHO · 1/2 H2S. The structure of the molecules in the solid state and the fade out of the NQR resonances are discussed.

  17. Cationically polymerizable monomers derived from renewable sources

    SciTech Connect

    Crivello, J.V.

    1991-10-01

    The objective of this project is to make use of products obtained from renewable plant sources as monomers for the direct production of polymers which can be used for a wide range of plastic applications. In this report is described progress in the synthesis and polymerization of cationically polymerizable monomers and oligomers derived from botanical oils, terpenes, natural rubber, and lignin. Nine different botanical oils were obtained from various sources, characterized and then epoxidized. Their photopolymerization was carried out using cationic photoinitiators and the mechanical properties of the resulting polymers characterized. Preliminary biodegradation studies are being conducted on the photopolymerized films from several of these oils. Limonene was cationically polymerized to give dimers and the dimers epoxidized to yield highly reactive monomers suitable for coatings, inks and adhesives. The direct phase transfer epoxidation of squalene and natural rubber was carried out. The modified rubbers undergo facile photocrosslinking in the presence of onium salts to give crosslinked elastomers. 12 refs., 3 figs., 10 tabs.

  18. Chaotic inflation in higher derivative gravity theories

    E-print Network

    Myrzakul, Shynaray; Sebastiani, Lorenzo

    2015-01-01

    In this paper, we investigate chaotic inflation from scalar field subjected to potential in the framework of $f(R^2, P, Q)$-gravity, where we add a correction to Einstein's gravity based on a function of the square of the Ricci scalar $R^2$, the contraction of the Ricci tensor $P$, and the contraction of the Riemann tensor $Q$. The Gauss-Bonnet case is also discussed. We give the general formalism of inflation, deriving the slow-roll parameters, the $e$-folds number, and the spectral indexes. Several explicit examples are furnished, namely we will consider the cases of massive scalar field and scalar field with quartic potential and some power-law function of the curvature invariants under investigation in the gravitational action of the theory. Viable inflation according with observations is analyzed.

  19. Platelet-Derived Serotonin Mediates Liver Regeneration

    NASA Astrophysics Data System (ADS)

    Lesurtel, Mickael; Graf, Rolf; Aleil, Boris; Walther, Diego J.; Tian, Yinghua; Jochum, Wolfram; Gachet, Christian; Bader, Michael; Clavien, Pierre-Alain

    2006-04-01

    The liver can regenerate its volume after major tissue loss. In a mouse model of liver regeneration, thrombocytopenia, or impaired platelet activity resulted in the failure to initiate cellular proliferation in the liver. Platelets are major carriers of serotonin in the blood. In thrombocytopenic mice, a serotonin agonist reconstituted liver proliferation. The expression of 5-HT2A and 2B subtype serotonin receptors in the liver increased after hepatectomy. Antagonists of 5-HT2A and 2B receptors inhibited liver regeneration. Liver regeneration was also blunted in mice lacking tryptophan hydroxylase 1, which is the rate-limiting enzyme for the synthesis of peripheral serotonin. This failure of regeneration was rescued by reloading serotonin-free platelets with a serotonin precursor molecule. These results suggest that platelet-derived serotonin is involved in the initiation of liver regeneration.

  20. A Shuttle Derived Vehicle launch system

    NASA Astrophysics Data System (ADS)

    Tewell, J. R.; Buell, D. N.; Ewing, E. S.

    1982-10-01

    This paper describes a Shuttle Derived Vehicle (SDV) launch system presently being studied for the NASA by Martin Marietta Aerospace which capitalizes on existing Shuttle hardware elements to provide increased accommodations for payload weight, payload volume, or both. The SDV configuration utilizes the existing solid rocket boosters, external tank and the Space Shuttle main engines but replaces the manned orbiter with an unmanned, remotely controlled cargo carrier. This cargo carrier substitution more than doubles the performance capability of the orbiter system and is realistically achievable for minimal cost. The advantages of the SDV are presented in terms of performance and economics. Based on these considerations, it is concluded that an unmanned SDV offers a most attractive complement to the present Space Transportation System.

  1. Fluorescein Derivatives in Intravital Fluorescence Imaging

    PubMed Central

    Robertson, Thomas A.; Bunel, Florestan; Roberts, Michael S.

    2013-01-01

    Intravital fluorescence microscopy enables the direct imaging of fluorophores in vivo and advanced techniques such as fluorescence lifetime imaging (FLIM) enable the simultaneous detection of multiple fluorophores. Consequently, it is now possible to record distribution and metabolism of a chemical in vivo and to optimise the delivery of fluorophores in vivo. Recent clinical applications with fluorescein and other intravital fluorescent stains have occurred in neurosurgery, dermatology [including photodynamic therapy (PDT)] and endomicroscopy. Potential uses have been identified in periodontal disease, skin graft and cancer surgery. Animal studies have demonstrated that diseased tissue can be specifically stained with fluorophore conjugates. This review focuses on the fluorescein derived fluorophores in common clinical use and provides examples of novel applications from studies in tissue samples. PMID:24709799

  2. Nanostructured YSZ membranes derived from inorganic salts

    NASA Astrophysics Data System (ADS)

    Zhang, Cunlin; Liao, Yang; He, Shuli; Sun, Defeng; Chen, Wen

    2005-01-01

    The nanostuctured YSZ (Yttria Stabilized Zirconia) membranes on Si(110) substrates are successfully prepared by sol-gel technology derived from inorganic salts ZrOCl2"8H2O, H2C2O4"2H2O and Y(NO3)3"6H2O. By means of controlling the supersaturation and diffusion velocity in solution when the zirconyl oxalate xerogels are repeptized, spherical colloidal paricles with different distributions are obtained. we propose that the peptization of xerogels can be considered as a process of nucleation and growth of colloidal particles. The membranes are preparated by spinning the modified sols on Si(110) substrates. After calcining at 800°C for 1 hour, the membranes are crack-free and mirrorlike. The membranes consist of monodisperse fine spherical crystallines in the range of 20~220nm in diameter, which microstructures are controlled by changing the size and distribution of colloidal particles in sols.

  3. Thiazolidone derivatives as inhibitors of chikungunya virus.

    PubMed

    Jadav, Surender Singh; Sinha, Barij Nayan; Hilgenfeld, Rolf; Pastorino, Boris; de Lamballerie, Xavier; Jayaprakash, Venkatesan

    2015-01-01

    A series of arylalkylidene derivatives of 1,3-thiazolidin-4-one (1-20) were synthesized and tested for their antiviral activity against chikungunya virus (LR2006_OPY1) in Vero cell culture by CPE reduction assay. Five compounds (7-9, 16 and 19) were identified to have anti-ChikV activity at lower micro molar concentration. The compounds 7, 8, 9, 16 and 19 inhibited the virus at 0.42, 4.2, 3.6, 40.1 and 6.8 ?M concentrations respectively. Molecular docking simulation has been carried out using the available X-ray crystal structure of the ChikV nsp2 protease, in order to elucidate the possible mechanism of action. Interaction of ligands with ChikV nsp2 protease (PDB Code: 3TRK) suggested the possible mechanism of protease inhibition to act as potent anti-ChikV agents. PMID:25462237

  4. Flavonoids and phenylpropanoid derivatives from Campanula barbata.

    PubMed

    Cuendet, M; Potterat, O; Hostettmann, K

    2001-03-01

    Four new phenylpropanoid derivatives, barbatosides A-D, and a new catechin, barbatoflavan, were isolated from the whole plant of Campanula barbata L. (Campanulaceae) and identified as wahlenbergioside-3'-O-glucoside, wahlenbergioside-3'-O-(2'''-(p-methoxycinnamoyl))-glucoside, wahlenbergioside-3'-O-(4'''-(trans-p-coumaroyl))-glucoside, wahlenbergioside-3'-O-(4"'-(cis-p-coumaroyl))-glucoside and 3-acetyl-5-methoxy-7,3',4'-trihydroxy-8-O-glucoside-flavan-3-ol, respectively, by spectroscopic methods. In addition, four flavonols were isolated and identified as kaempferol-3-O-glucoside, kaempferol-3-O-rutinoside, quercetin-3-O-glucoside and quercetin-3-O-rutinoside. Barbatoflavan demonstrated scavenging properties towards the DPPH radical. PMID:11281141

  5. Unusual structures of lithium terphenyl derivatives

    Microsoft Academic Search

    Ned J Hardman; Brendan Twamley; Matthias Stender; Richard Baldwin; Shirley Hino; Berthold Schiemenz; Susan M Kauzlarich; Philip P Power

    2002-01-01

    The synthesis, spectroscopic and structural characterization of three new lithium derivatives of terphenyl ligands are reported. These are the mixed lithium alkyl–lithium aryl compound {Li(t-Bu)LiC6H3-2,6-Trip2} (1, Trip=C6H2-2,4,6-i-Pr3), the dilithiated {LiC6H3-2-(C6H3-2-Me-5-t-Bu)-6-(C6H3-2-CH2Li-5-t-Bu)·Et2O}2 (2), and the ether solvated (Et2O)LiC6H3-2,6-(C6H4-4-t-Bu)2 (3). The synthesis of the terphenyl halide precursors for 2 and 3 is also given. The compound 1 resulted from the treatment of 1-IC6H3-2,6-Trip

  6. Synthesis and antitumor activity of tetrandrine derivatives.

    PubMed

    Wu, Chun-Zhen; Lai, Long; Hu, Xiao; Lei, Rong-Rong; Yang, Yi-Fang

    2013-09-01

    Tetrandrine possesses antitumor activity, however, only a few studies on its structure modification were reported. To improve the antitumor activity of tetrandrine, 20 new tetrandrine derivatives were designed and synthesized by Sonogashira and Suzuki reactions. Their antitumor activities were evaluated against three tumor cell lines including A549, HepG2, and BGC-823 by methyl thiazolyl tetrazolium assay with taxol as a positive control. The results showed that compounds 2c and 2g were highly potent against BGC-823 cell line, and compounds 1i and 1k showed particular activity against HepG2 cells. These results demonstrated that compounds 1i, 1k, 2c, and 2g were promising leads for further investigation. PMID:23944846

  7. Anticonvulsant activity of four oxygenated cannabidiol derivatives.

    PubMed

    Carlini, E A; Mechoulam, R; Lander, N

    1975-09-01

    A pharmacological comparison between cannabidiol (CBD) and four CBD derivatives, namely CBD-aldehyde-diacetate (I), 6-oxo-CBD-diacetate (II), 6-hydroxy-CBD-tri-acetate (III), and 9-hydroxy-CBD-triacetate (IV) was carried out in mice. Protection against maximal electroshock convulsions, potentiation of pentobarbital sleeping-time and reduction of spontaneous motor activity were the effects measured. All 5 compounds were equally potent in potentiating barbiturate sleeping time at doses ranging from 6.25 to 100 mg/kg. At 12.5 and 25 mg/kg only CBD and IV were able to decrease significantly the spontaneous motor activity. CBD, II, III and IV were also active in protecting mice against electroconvulsive shock at doses of 100-200 mg/kg, although at the larger dose CBD and compound II were the most efficient. Compound I was toxic, killing about half of the animals within 24 h after injection. PMID:1188178

  8. A negative derivative feedback design algorithm

    NASA Astrophysics Data System (ADS)

    Cola, F.; Resta, F.; Ripamonti, F.

    2014-08-01

    Vibration control logics based on the modal approach allow damping to be increased on a certain number of modes. The main limit associated with these strategies is represented by spillover on non-modelled modes. Negative derivative feedback (NDF) proves particularly robust against spillover since modal velocity is fed back through a band-pass filter so that undesired effects can be limited both at high and low frequencies. Unfortunately, the definition of the control gains for this logic is generally more difficult than other resonant controls owing to the lack of physical meaning. In this paper a design strategy for an NDF controller based on an optimal approach is proposed for single and multi-degrees of freedom systems and is tested on a cantilever beam finite element model.

  9. Synthesis of sulphonic acids and sultam derivatives

    Microsoft Academic Search

    Ibrahim Imam Ismail

    1990-01-01

    Reaction of propane-1,3-sultone with amines gave N-substituted aminosulphonic acids2a?i. Dehydration of2a?c with POCl3 gave the corresponding sultams3a?c. Propane-1,3-sultone1 reacted with tertury amines to give the betaiene salts4–11. 2,4-Dimethyl-1,3-butadiene-1,4-sultone12 condensed with amines to give N-substituted-2,4-dimethyl-1,3-butadiene-1,4-sultams13a and13b. The reaction of3a, 13a with hydrazine hydrate gave acid hydrazides3d or13c. Compounds3d, 13c reacted with isocyanates to yield urea derivatives14a?c, 15a?c.

  10. Synthesis and conformational analysis of naphthylnaphthoxazine derivatives

    NASA Astrophysics Data System (ADS)

    Tóth, Diána; Szatmári, István; Heydenreich, Matthias; Koch, Andreas; Kleinpeter, Erich; Fülöp, Ferenc

    2009-07-01

    Four new primary aminonaphthols ( 4, 5, 9 and 10) were synthesized from 1- or 2-naphthol and 1- or 2-naphthaldehyde via naphthoxazines in modified Mannich condensations. Simple ring-closure reactions of these aminonaphthols with paraformaldehyde, 4-nitrobenzaldehyde, phosgene or 4-chlorophenyl isothiocyanate led to new heterocyclic derivatives. In these transformations, either an sp 2 or an sp 3 carbon was inserted between the hydroxy and amino groups. The effects of substituents and the naphthyl ring on the conformation were investigated by means of NMR measurements, employing both dipolar and scalar couplings. The structures were confirmed by DFT quantum chemical calculations involving computed coupling constants, intramolecular distances between nuclei and the relative energies of the preferred conformers.

  11. New fluorescent nucleobases derived from 5-alkynylpyrimidines

    NASA Astrophysics Data System (ADS)

    Hudson, Robert H. E.; Dambenieks, Andrew K.; Moszynski, Joanne M.

    2005-09-01

    Fluorescent reporter groups are widely used in many areas of macromolecular science. In nucleic acid chemistry, fluorescently labeled oligonucleotides find use in the study of nucleic acid conformations, as reporters of the state of hybridization and as probes of nucleic acid-protein interactions, as well as, probes and primers for the detection and quantification of desired sequences. Often, the fluorophore is a separate and independent entity covalently attached to an otherwise unmodified oligonucleotide. Another class of fluorophore is the nucleobase analog - a chemically modified nucleobase that is unable to base pair properly. Recently, we have become interested in pyrrolocytosine (pC) as an intrinsically fluorescent, pairing-competent nucleobase. It has previously been shown that incorporation of pyrrolocytidine into oligonucleotides gives a fluorescent molecule that responds to the state of hybridization. We have refined the syntheses of pyrrolocytosine derivatives and the related modified uracil derivatives, furanouracil (fU), from cytosine and uracil respectively via three sequential steps: iodination of the nucleobase; Pd-catalyzed cross-coupling with a terminal alkyne; and metal-catalyzed cyclization. The fluorescence properties of the 5-alkynyl nucleobases and the bicyclic pC and fU analogs have been characterized and depend on: 1) the nature of the substituent on the alkyne, 2) whether the nucleobase is 5-alkynyl or cyclized, and 3) the presence of a substituent on the N1-position of the nucleobase. The chemistry and properties of peptide nucleic acid oligomers incorporating these types of base modifications and their possible use in point-mutation detection is presented.

  12. Revisiting satellite derived tropospheric NO2 trends

    NASA Astrophysics Data System (ADS)

    Richter, Andreas; Hilboll, Andreas; Burrows, John P.

    2015-04-01

    Nitrogen dioxide levels can be used as tracer of anthropogenic pollution as NOx, the sum of NO and NO2, is released during fossil fuel combustion. With its short atmospheric lifetime, atmospheric NO2 can be easily linked to its sources. Using its structured absorption cross section in the blue spectral region, NO2 amounts can be derived from measurements of backscattered solar radiation with the help of Differential Optical Absorption Spectroscopy measurements. Satellite retrievals of tropospheric NO2 became possible with the launch of the GOME instrument in 1995, and since then a series of instruments including SCIAMACHY, GOME-2 and OMI provide spectral data which can be used to quantify NO2 columns in the troposphere. Using these observations, spatial distributions of NO2, its sources and transport pathways as well as temporal changes have been investigated over the last years. In particular the latter have shown remarkable atmospheric developments with large reductions of NO2 levels in many industrialised countries and dramatic increases in regions with growing economies, most notably in China but also in many other countries. In this study, recent trends of satellite derived NO2 columns are evaluated using data from all available instruments with a focus on the last years. Combination of data taken from the two GOME-2 instruments and OMI improves coverage and sensitivity, and also provides important constraints on the reliability of the satellite data set. As in previous studies, large changes in NO2 columns are found in many regions, in particular over China where after two years of stagnating NO2 levels an unexpected substantial reduction is observed for 2014.

  13. Fluoride removal performance of glass derived hydroxyapatite

    SciTech Connect

    Liang, Wen, E-mail: wliang@ecust.edu.cn [Research Institute of Biomaterials, School of Materials Science and Engineering, East China University of Science and Technology (China)] [Research Institute of Biomaterials, School of Materials Science and Engineering, East China University of Science and Technology (China); Zhan, Lei; Piao, Longhua [Research Institute of Biomaterials, School of Materials Science and Engineering, East China University of Science and Technology (China)] [Research Institute of Biomaterials, School of Materials Science and Engineering, East China University of Science and Technology (China); Russel, Christian [Otto-Schott-Institut, Universitaet Jena, Jena (Germany)] [Otto-Schott-Institut, Universitaet Jena, Jena (Germany)

    2011-02-15

    Research highlights: {yields} Novel sodium calcium borate glass derived hydroxyapatite (G-HAP) is prepared. {yields} Micro-G-HAP adsorbs F{sup -} ions in solutions more effectively than commercial nano-HAP. {yields} The adsorption kinetics and isotherms are well fitted by a second order kinetic model and Freundlich isotherm model. -- Abstract: A novel sodium calcium borate glass derived hydroxyapatite (G-HAP) with different ranges of particle size was prepared by immersion sodium calcium borate glass in 0.1 M K{sub 2}HPO{sub 4} solution by the ratio of 50 g L{sup -1} for 7 days. The unique advantage of G-HAP for the adsorption of fluoride ions in solutions was studied. The effects of size and quantity of particles, pH value and adsorption time on adsorption performance were investigated. The maximum adsorption capacity was 17.34 mg g{sup -1} if 5 g L{sup -1}, <100 {mu}m G-HAP was added to a solution with an initial pH value of 6.72 and the adsorption time was 12 h. The results showed that the micro-G-HAP could immobilize F{sup -} in solution more effectively than commercial nano-HAP, which makes potential application of the G-HAP in removing the fluoride ions from wastewater. The adsorption kinetics and isotherms for F{sup -} could be well fitted by a second order kinetic model and Freundlich isotherm model respectively, which could be used to describe the adsorption behavior. The mechanism of G-HAP in immobilizing F{sup -} from aqueous solutions was investigated by the X-ray diffraction (XRD), infrared spectra (IR) and scanning electron microscopy (SEM).

  14. Mean value theorems for a matrix valued derivative

    Microsoft Academic Search

    John S. McMath; S. E. Sims

    1981-01-01

    The derivative of a function defined on a set of matrices is given utilizing the Moore-Penrose pseudoinverse, which yields a natural extension of differentiation in the univariate calculus. Several mean value theorems involving this derivative are established.

  15. 40 CFR 721.10328 - Salt of polyalkylenepolyamine derivative (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 2012-07-01 false Salt of polyalkylenepolyamine derivative (generic...Specific Chemical Substances § 721.10328 Salt of polyalkylenepolyamine derivative (generic...chemical substance identified generically as salt of polyalkylenepolyamine...

  16. 40 CFR 721.10328 - Salt of polyalkylenepolyamine derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 2013-07-01 false Salt of polyalkylenepolyamine derivative (generic...Specific Chemical Substances § 721.10328 Salt of polyalkylenepolyamine derivative (generic...chemical substance identified generically as salt of polyalkylenepolyamine...

  17. 21 CFR 173.110 - Amyloglucosidase derived from Rhizopus niveus.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Enzyme Preparations and Microorganisms § 173.110...derived from Rhizopus niveus. Amyloglucosidase enzyme product, consisting of enzyme derived from Rhizopus niveus, and...

  18. 21 CFR 173.110 - Amyloglucosidase derived from Rhizopus niveus.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Enzyme Preparations and Microorganisms § 173.110...derived from Rhizopus niveus. Amyloglucosidase enzyme product, consisting of enzyme derived from Rhizopus niveus, and...

  19. 21 CFR 173.110 - Amyloglucosidase derived from Rhizopus niveus.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Enzyme Preparations and Microorganisms § 173.110...derived from Rhizopus niveus. Amyloglucosidase enzyme product, consisting of enzyme derived from Rhizopus niveus, and...

  20. 21 CFR 173.110 - Amyloglucosidase derived from Rhizopus niveus.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Enzyme Preparations and Microorganisms § 173.110...derived from Rhizopus niveus. Amyloglucosidase enzyme product, consisting of enzyme derived from Rhizopus niveus, and...

  1. Free radicals of benzo(a)pyrene and derivatives.

    PubMed Central

    Sullivan, P D

    1985-01-01

    The evidence for biological involvement, the spectroscopic properties (especially EPR), and the reactions, of free radicals derived from benzo(a)pyrene and its methylated, hydroxylated, and fluorinated derivatives are reviewed. PMID:3007095

  2. 21 CFR 184.1317 - Garlic and its derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...3 2014-04-01 2014-04-01 false Garlic and its derivatives. 184.1317 Section...Substances Affirmed as GRAS § 184.1317 Garlic and its derivatives. (a) Garlic is the fresh or dehydrated bulb or cloves...

  3. 21 CFR 184.1317 - Garlic and its derivatives.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...3 2011-04-01 2011-04-01 false Garlic and its derivatives. 184.1317 Section...Substances Affirmed as GRAS § 184.1317 Garlic and its derivatives. (a) Garlic is the fresh or dehydrated bulb or cloves...

  4. 21 CFR 184.1317 - Garlic and its derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...3 2012-04-01 2012-04-01 false Garlic and its derivatives. 184.1317 Section...Substances Affirmed as GRAS § 184.1317 Garlic and its derivatives. (a) Garlic is the fresh or dehydrated bulb or cloves...

  5. 77 FR 56067 - Changes To Implement Derivation Proceedings

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-11

    ...proceeding and an opportunity for discovery. One comment suggested expanded discovery for derivations, since...allegation of derivation. Discovery prior to institution is...the respondent acquired knowledge of the claimed...

  6. 17 CFR 240.16b-6 - Derivative securities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...Derivative securities. 240.16b-6 Section 240.16b-6 Commodity and Securities Exchanges...Section 16(b) § 240.16b-6 Derivative securities...purchases and sales of the same series of convertible debentures)...

  7. 17 CFR 240.16b-6 - Derivative securities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...Derivative securities. 240.16b-6 Section 240.16b-6 Commodity and Securities Exchanges...Section 16(b) § 240.16b-6 Derivative securities...purchases and sales of the same series of convertible debentures)...

  8. 17 CFR 240.16b-6 - Derivative securities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...Derivative securities. 240.16b-6 Section 240.16b-6 Commodity and Securities Exchanges...Section 16(b) § 240.16b-6 Derivative securities...purchases and sales of the same series of convertible debentures)...

  9. 17 CFR 240.16b-6 - Derivative securities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...Derivative securities. 240.16b-6 Section 240.16b-6 Commodity and Securities Exchanges...Section 16(b) § 240.16b-6 Derivative securities...purchases and sales of the same series of convertible debentures)...

  10. 17 CFR 240.16b-6 - Derivative securities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...Derivative securities. 240.16b-6 Section 240.16b-6 Commodity and Securities Exchanges...Section 16(b) § 240.16b-6 Derivative securities...purchases and sales of the same series of convertible debentures)...

  11. Higher Derivative Corrections to O-Plane Actions 

    E-print Network

    Wang, Zhao

    2014-11-17

    Higher derivative corrections to effective actions are very important and of great interest in string theory. The aim of this dissertation is to develop a method to constrain the higher derivative corrections to O-plane ...

  12. A general entry to C7-borono indole derivatives

    E-print Network

    Fenton, Owen S. (Owen Shea)

    2012-01-01

    The development of a methodology to access C7 pinacolatoboron substituted indole derivatives is described. It has been applied to indole, tryptophan, and tryptamine derivatives. Further functionalization to a C7 phenolic ...

  13. Characterization of Transport Proteins for Aromatic Compounds Derived from Lignin: Benzoate Derivative Binding Proteins

    PubMed Central

    Michalska, Karolina; Chang, Changsoo; Mack, Jamey C.; Zerbs, Sarah; Joachimiak, Andrzej; Collart, Frank R.

    2013-01-01

    In vitro growth experiments have demonstrated that aromatic compounds derived from lignin can be metabolized and represent a major carbon resource for many soil bacteria. However, the proteins that mediate the movement of these metabolites across the cell membrane have not been thoroughly characterized. To address this deficiency, we used a library representative of lignin degradation products and a thermal stability screen to determine ligand specificity for a set of solute-binding proteins (SBPs) from ATP-binding cassette (ABC) transporters. The ligand mapping process identified a set of proteins from Alphaproteobacteria that recognize various benzoate derivatives. Seven high-resolution crystal structures of these proteins in complex with four different aromatic compounds were obtained. The protein–ligand complexes provide details of molecular recognition that can be used to infer binding specificity. This structure–function characterization provides new insight for the biological roles of these ABC transporters and their SBPs, which had been previously annotated as branched-chain amino-acid-binding proteins. The knowledge derived from the crystal structures provides a foundation for development of sequencebased methods to predict the ligand specificity of other uncharacterized transporters. These results also demonstrate that Alphaproteobacteria possess a diverse set of transport capabilities for lignin-derived compounds. Characterization of this new class of transporters improves genomic annotation projects and provides insight into the metabolic potential of soil bacteria. PMID:22925578

  14. Characterizing Thematized Derivative Schema by the Underlying Emergent Structures

    ERIC Educational Resources Information Center

    Garcia, Mercedes; Llinares, Salvador; Sanchez-Matamoros, Gloria

    2011-01-01

    This paper reports on different underlying structures of the derivative schema of three undergraduate students that were considered to be at the trans level of development of the derivative schema (action-process-object-schema). The derivative schema is characterized in terms of the students' ability to explicitly transfer the relationship between…

  15. Simplified Derivation of the Fokker-Planck Equation.

    ERIC Educational Resources Information Center

    Siegman, A. E.

    1979-01-01

    Presents an alternative derivation of the Fokker-Planck equation for the probability density of a random noise process, starting from the Langevin equation. The derivation makes use of the first two derivatives of the Dirac delta function. (Author/GA)

  16. Exact Multisoliton Solutions of General Nonlinear Schrödinger Equation with Derivative

    PubMed Central

    Li, Qi; Duan, Qiu-yuan; Zhang, Jian-bing

    2014-01-01

    Multisoliton solutions are derived for a general nonlinear Schrödinger equation with derivative by using Hirota's approach. The dynamics of one-soliton solution and two-soliton interactions are also illustrated. The considered equation can reduce to nonlinear Schrödinger equation with derivative as well as the solutions. PMID:25013858

  17. Original article Stability of milk-derived calcium

    E-print Network

    Paris-Sud XI, Université de

    Original article Stability of milk-derived calcium phosphate suspensions Skelte G. ANEMA* Fonterra January 2009 Abstract ­ Milk-derived calcium phosphate (MDCP) can be isolated from whey derived from acid casein or cottage cheese manufacture as a precipitated calcium phosphate material. However

  18. Derivation and definition of a linear aircraft model

    NASA Technical Reports Server (NTRS)

    Duke, Eugene L.; Antoniewicz, Robert F.; Krambeer, Keith D.

    1988-01-01

    A linear aircraft model for a rigid aircraft of constant mass flying over a flat, nonrotating earth is derived and defined. The derivation makes no assumptions of reference trajectory or vehicle symmetry. The linear system equations are derived and evaluated along a general trajectory and include both aircraft dynamics and observation variables.

  19. Bio-Derived Liquids to Hydrogen Distributed Reforming Targets

    E-print Network

    Bio-Derived Liquids to Hydrogen Distributed Reforming Targets Arlene F. Anderson Technology and Infrastructure Technologies Program Bio-Derived Liquids to Hydrogen Distributed Reforming Working Group and Hydrogen Production Technical Team Review November 6, 2007 #12;Bio-Derived Liquids to Hydrogen Distributed

  20. MECHANICAL PROPERTY CHARACTERIZATION OF SOL-GEL DERIVED NANOMATERIALS

    E-print Network

    Brinker, C. Jeffrey

    MECHANICAL PROPERTY CHARACTERIZATION OF SOL-GEL DERIVED NANOMATERIALS USING AN ACOUSTIC WAVE;#12;For my Terra........ iii #12;MECHANICAL PROPERTY CHARACTERIZATION OF SOL-GEL DERIVED NANOMATERIALS, New Mexico November 2006 #12;Mechanical Property Characterization of Sol-gel Derived Nanomaterials