Sample records for benzaldehyde thiosemicarbazone derivatives

  1. Simultaneous Determination of Cobalt(II) and Nickel(II) by Fourth-Order Derivative Spectrophotometric Method Using 2-Hydroxy-3-Methoxy Benzaldehyde Thiosemicarbazone

    PubMed Central

    Kumar, A. Praveen; Reddy, P. Raveendra; Reddy, V. Krishna

    2007-01-01

    A simple and new simultaneous fourth derivative spectrophotometric method is proposed for the analysis of a two-component system containing cobalt(II) and nickel(II) without separation using 2-hydroxy-3-methoxy benzaldehyde thiosemicarbazone (HMBATSC) as a chromophoric reagent. The reagent reacts with cobalt(II) and nickel(II) at pH 6.0, forming soluble brown and yellow colored species, respectively. Cobalt(II) and nickel(II) present in themixture are simultaneously determined without solving the simultaneous equations bymeasuring the fourth derivative amplitudes at 468.5 nm and 474.5 nm, respectively. The derivative amplitudes obey Beer's law at 468.5 nm and 474.5 nm for Co(II) and Ni(II) in the range 0.059–3.299 ?g mL?1 and 0.058–3.285 ?g mL?1 respectively. A large number of foreign ions do not interfere in the present method. The present simultaneous method is used for the determination of micro amounts of cobalt in biological samples, nickel in plant samples, and in some alloy steels and soil sample. PMID:17671609

  2. Adsorption and Inhibitor Action of 4-(N,N-Dimethylamino) Benzaldehyde Thiosemicarbazone on 6061 Al\\/SiC Composite and its Base Alloy in Sulfuric Acid Medium

    Microsoft Academic Search

    Geetha Mable Pinto; Jagannath Nayak; A. Nityananda Shetty

    2011-01-01

    The inhibitive action of 4-(N,N-dimethylamino)benzaldehyde thiosemicarbazone (DMABT) on the corrosion behavior of 6061 Al -15 vol. pct. SiC(p) composite and its base alloy was studied at different temperatures in sulfuric acid medium containing varying concentrations of it, using Tafel extrapolation technique and AC impedance spectroscopy (EIS). Results showed that DMABT was an effective inhibitor, showing inhibition efficiency of 70% in

  3. Pyridyl derivatives of benzaldehyde as potential antisickling agents.

    PubMed

    Nnamani, Ijeoma N; Joshi, Gajanan S; Danso-Danquah, Richmond; Abdulmalik, Osheiza; Asakura, Toshio; Abraham, Donald J; Safo, Martin K

    2008-09-01

    Compounds that bind to sickle hemoglobin (Hb S) producing an allosteric shift to the high-affinity Hb S that does not polymerize are being developed to treat sickle cell anemia (SCA). In this study, three series of pyridyl derivatives of substituted benzaldehydes (Classes I-III) that combine structural features of two previously determined potent antisickling agents, vanillin and pyridoxal, were synthesized. When analyzed with normal human whole blood, the compounds form Schiff-base adducts with Hb and left shift the oxygen equilibrium curve (OEC) to the more soluble high-affinity Hb, more than vanillin or pyridoxal. Generally, Class-I compounds with an aromatic aldehyde located ortho to the pyridyl substituent are the most potent, followed by the Class-II compounds with the aldehyde at the meta-position. Class-III compounds with the aldehyde at the para position show the weakest activity. The structure-activity studies of these pyridyl derivatives of substituted benzaldehydes demonstrate significant allosteric potency that may be useful for treating SCA. PMID:18816529

  4. Corrosion inhibition of 6061 Al–15 vol. pct. SiC(p) composite and its base alloy in a mixture of sulphuric acid and hydrochloric acid by 4-(N,N-dimethyl amino) benzaldehyde thiosemicarbazone

    Microsoft Academic Search

    Geetha Mable Pinto; Jagannath Nayak; A. Nityananda Shetty

    2011-01-01

    The corrosion inhibition characteristics of 4-(N,N-dimethylamino) benzaldehyde thiosemicarbazone (DMABT) on the corrosion behavior of 6061 Al–15vol. pct. SiC(p) composite and its base alloy were studied at different temperatures in acid mixture medium containing varying concentrations of hydrochloric acid and sulphuric acid using Tafel extrapolation technique and ac impedance spectroscopy (EIS). The effect of inhibitor concentration, temperature and concentration of the

  5. A combined experimental and quantum chemical studies on molecular structure, spectral properties, intra and intermolecular interactions and first hyperpolarizability of 4-(benzyloxy)benzaldehyde thiosemicarbazone and its dimer

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Rawat, Poonam; Baboo, Vikas; Verma, Divya; Singh, R. N.; Saxena, Deepti; Gauniyal, H. M.; Pandey, Anoop Kumar; Pal, Harish

    2013-02-01

    In the present work, a detailed spectroscopic analysis of 4-(benzyloxy)benzaldehyde thiosemicarbazone (3) has been carried out using 1H NMR, 13C NMR, UV-Visible and FT-IR spectroscopic techniques. The quantum chemical calculations have been carried out using DFT level of theory, B3LYP functional and 6-31G(d,p) basis set. The calculated thermodynamic parameters show that the formation of 3 is an exothermic and spontaneous reaction at 25 °C. The vibrational analysis indicates the formation of dimer in the solid state by intermolecular hydrogen bonding (Nsbnd H⋯Sdbnd C) and the binding energy of dimer is calculated to be 11.2 kcal/mol, using DFT calculation. NBO analysis is carried out to investigate the charge transfer in various intra and intermolecular interactions involved in dimer. Topological parameters at bond critical points (BCPs) are calculated to analyze the strength and nature of various intra and intermolecular interactions in dimer by Bader's 'Atoms in molecules' AIM theory in detail. The local reactivity descriptors such as Fukui functions (fk+, fk-), local softnesses (sk+, sk-) and electrophilicity indices (?k+, ?k-) analysis are performed to determine the reactive sites within molecule. Non linear optical (NLO) behavior of title compound is investigated by the computed value of first hyperpolarizability (?0).

  6. DNA binding, DNA cleavage, antioxidant and cytotoxicity studies on ruthenium(II) complexes of benzaldehyde 4-methyl-3-thiosemicarbazones

    NASA Astrophysics Data System (ADS)

    Sampath, Krishnan; Sathiyaraj, Subbaiyan; Jayabalakrishnan, Chinnasamy

    2013-03-01

    Four new ruthenium(II) complexes with N(4)-methyl thiosemicarbazone ligands, (E)-2-(2-chlorobenzylidene)-N-methylhydrazinecarbothioamide (HL1) and (E)-N-methyl-2-(2-nitrobenzylidene)hydrazinecarbothioamide (HL2), were prepared and fully characterized by various spectro-analytical techniques. The Schiff bases act as bidentate, monobasic chelating ligands with S and N as the donor sites and are preferably found in the thiol form in all the complexes studied. The molecular structure of HL1 and HL2 were determined by single crystal X-ray diffraction method. DNA binding of the compounds was investigated by absorption spectroscopy which indicated that the complexes bind to DNA via intercalation. The oxidative cleavage of the complexes with CT-DNA inferred that the effects of cleavage are dose dependent. Antioxidant studies of the ligands and complexes showed the significant antioxidant activity against DPPH radical. In addition, the in vitro cytotoxicity of the ligands and complexes against MCF-7 cell line was assayed which showed higher cytotoxic activity with the lower IC50 values indicating their efficiency in killing the cancer cells even at low concentrations.

  7. 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. Chirality 27:177-188, 2015. © 2014 Wiley Periodicals, Inc. PMID:25399965

  8. Mixed ligand ruthenium(III) complexes of benzaldehyde 4-methyl-3-thiosemicarbazones with triphenylphosphine/triphenylarsine co-ligands: Synthesis, DNA binding, DNA cleavage, antioxidative and cytotoxic activity

    NASA Astrophysics Data System (ADS)

    Sampath, K.; Sathiyaraj, S.; Raja, G.; Jayabalakrishnan, C.

    2013-08-01

    The new ruthenium(III) complexes with 4-methyl-3-thiosemicarbazone ligands, (E)-2-(2-chlorobenzylidene)-N-methylhydrazinecarbothioamide (HL1) and (E)-2-(2-nitrobenzylidene)-N-methylhydrazinecarbothioamide (HL2), were prepared and characterized by various physico-chemical and spectroscopic methods. The title compounds act as bidentate, monobasic chelating ligands with S and N as the donor sites and are preferably found in the thiol form in all the complexes studied. The molecular structure of HL1 and HL2 were determined by single crystal X-ray diffraction method. DNA binding of the ligands and complexes were investigated by absorption spectroscopy and IR spectroscopy. It reveals that the compounds bind to nitrogenous bases of DNA via intercalation. The oxidative cleavage of the complexes with CT-DNA inferred that the effects of cleavage are dose dependent. Antioxidant study of the ligands and complexes showed the significant antioxidant activity against DPPH radical. In addition, the in vitro cytotoxicity of the ligands and complexes against MCF-7 cell line was assayed which showed higher cytotoxic activity with the lower IC50 values indicating their efficiency in killing the cancer cells even at low concentrations.

  9. Evaluation of DNA-binding, DNA cleavage, antioxidant and cytotoxic activity of mononuclear ruthenium(II) carbonyl complexes of benzaldehyde 4-phenyl-3-thiosemicarbazones

    NASA Astrophysics Data System (ADS)

    Sampath, Krishnan; Sathiyaraj, Subbaiyan; Jayabalakrishnan, Chinnasamy

    2013-11-01

    Two 4-phenyl-3-thiosemicarbazone ligands, (E)-2-(2-chlorobenzylidene)-N-phenylhydrazinecarbothioamide (HL1) and (E)-2-(2-nitrobenzylidene)-N-phenylhydrazinecarbothioamide (HL2), and its ruthenium(II) complexes were synthesized and characterized by physico-chemical and spectroscopic methods. The Schiff bases act as bidentate, monobasic chelating ligands with S and N as the donor sites and are preferably found in the thiol form in all the complexes studied. The molecular structure of HL1 and HL2 were determined by single crystal X-ray diffraction method. DNA binding of the compounds was investigated by absorption spectroscopy which indicated that the compounds bind to DNA via intercalation. The oxidative cleavage of the complexes with CT-DNA inferred that the effects of cleavage are dose dependent. Antioxidant study of the ligands and complexes showed significant antioxidant activity against DPPH radical. In addition, the in vitro cytotoxicity of the ligands and complexes assayed against HeLa and MCF-7 cell lines showed higher cytotoxic activity with the lower IC50 values indicating their efficiency in killing the cancer cells even at low concentrations.

  10. Antimony(III) complexes with 2-benzoylpyridine-derived thiosemicarbazones: cytotoxicity against human leukemia cell lines.

    PubMed

    Reis, Débora C; Pinto, Mauro C X; Souza-Fagundes, Elaine M; Wardell, Solange M S V; Wardell, James L; Beraldo, Heloisa

    2010-09-01

    The antimony(III) complexes [Sb(2Bz4DH)Cl(2)] (1), [Sb(H2Bz4M)Cl(3)] x 2 H(2)O (2) and [Sb(2Bz4Ph)Cl(2)] (3) were obtained with 2-benzoylpyridine thiosemicarbazone (H2Bz4DH) and its N(4)-methyl (H2Bz4M) and N(4)-phenyl (H2Bz4Ph) derivatives. H2Bz4DH, H2Bz4Ph and complexes (1-3) exhibited high cytotoxic activity against HL-60 and Jurkat human leukemia cell lines. When these compounds were tested against HL-60 cells with ectopic expression of BcrAbl, Bcl-2 or Bcl-X(L), which confer resistance to apoptosis against a variety of death-inducing agents, the cytotoxicity was much lower, indicating apoptosis to be part of their mechanism of action. The cytotoxic activity of complexes 2 and 3 against HL-60 and Jurkat cells was significantly higher than that of the corresponding thiosemicarbazones, suggesting coordination to be an interesting strategy of cytotoxic dose reduction. PMID:20576328

  11. 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.

  12. Synthesis and characterization of some novel antimicrobial thiosemicarbazone O-carboxymethyl chitosan derivatives.

    PubMed

    Mohamed, Nadia A; Mohamed, Riham R; Seoudi, Rania S

    2014-02-01

    Three novel thiosemicarbazone O-carboxymethyl chitosan derivatives were obtained via a condensation reaction of thiosemicarbazide O-carboxymethyl chitosan with o-hydroxybenzaldehyde, p-methoxybenzaldehyde, and p- chlorobenzaldehyde respectively. Their structures were characterized by elemental analysis, FTIR, (13)C NMR and X-ray diffraction. The antimicrobial behaviors of the prepared derivatives against three types of bacteria Staphylococcus aureus (S. aureus, RCMBA 2004), Bacillus subtilis (B. subtilis, RCMBA 6005), and Escherichia coli (E. Coli, RCMBA 5003) and three crops-threatening pathogenic fungi Aspergillus fumigatus (A. fumigatus, RCMBA 06002), Geotrichum candidum (G. candidum, RCMB 05098), and Candida albicans (C. albicans, RCMB 05035) were investigated. The results indicated that the antibacterial and antifungal activities of the investigated derivatives are much higher than those of the parent O-carboxymethyl chitosan. They were more potent in case of Gram-positive bacteria than Gram-negative bacteria. The presence of electron withdrawing chlorine atom on the aryl moiety of the aldehyde portion improved greatly antimicrobial activity to be nearly equivalent to the used standard drugs. PMID:24211430

  13. 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

  14. Oxidation of benzaldehydes to benzoic acid derivatives by three Desulfovibrio strains.

    PubMed Central

    Zellner, G; Kneifel, H; Winter, J

    1990-01-01

    Desulfovibrio vulgaris Marburg, "Desulfovibrio simplex" XVI, and Desulfovibrio sp. strain MP47 used benzaldehydes such as vanillin, 3,4,5-trimethoxybenzaldehyde, protocatechualdehyde, syringaldehyde, p-anisaldehyde, p-hydroxybenzaldehyde, and 2-methoxybenzaldehyde as electron donors for sulfate reduction and carbon dioxide and/or components of yeast extract as carbon sources for cell synthesis. The aldehydes were oxidized to their corresponding benzoic acids. The three sulfate reducers oxidized up to 7 mM vanillin and up to 4 mM p-anisaldehyde. Higher concentrations of vanillin or p-anisaldehyde were toxic. In addition, pyridoxal hydrochloride and o-vanillin served as electron donors for sulfate reduction. Salicylaldehyde, pyridine-2-aldehyde, pyridine-4-aldehyde, and 4-hydroxy-3-methoxybenzylalcohol were not oxidized. No molecular hydrogen was detected in the gas phase. The oxidized aldehydes were not further degraded. PMID:2389937

  15. Gold-catalyzed annulations of 2-alkynyl benzaldehydes with vinyl ethers: synthesis of dihydronaphthalene, isochromene, and bicyclo[2.2.2]octane derivatives.

    PubMed

    Malhotra, Deepika; Liu, Le-Ping; Mashuta, Mark S; Hammond, G B

    2013-03-18

    With the suitable selection of a gold catalyst as well as the appropriate control of the reaction conditions, various new gold-catalyzed cyclizations of 2-alkynyl benzaldehyde with acyclic or cyclic vinyl ethers have been developed. Acetal-tethered dihydronaphthalene and isochromenes were obtained from the reactions of 2-alkynyl benzaldehydes with acyclic vinyl ethers under mild conditions. And, more interestingly, the gold-catalyzed reactions of 2-alkynyl benzaldehyde with a cyclic vinyl ether afforded the bicyclo[2.2.2]octane derivative involving two molecules of cyclic vinyl ethers. These products contain interesting substructures that have been found in many biologically active molecules and natural products. In addition, a gold-catalyzed homo-dimerization of 2-phenylethynyl benzaldehyde 1a was observed when the reaction was carried out in the absence of vinyl ether, affording a set of separable diastereomeric products. Plausible mechanisms for these transformations are discussed; a gold-containing benzopyrylium was regarded as the crucial intermediate by which a number of these new transformations took place. PMID:23362089

  16. The cytotoxicity and mechanisms of 1,2-naphthoquinone thiosemicarbazone and its metal derivatives against MCF-7 human breast cancer cells.

    PubMed

    Chen, Junnan; Huang, Yue-wern; Liu, Guanshu; Afrasiabi, Zahra; Sinn, Ekkehard; Padhye, Subhash; Ma, Yinfa

    2004-05-15

    We have investigated the antitumor functions and mechanisms of 1,2-naphthoquinone-2-thiosemicarbazone (NQTS) and its metal complexes (Cu(2+), Pd(2+), and Ni(2+)) against MCF-7 human breast cancer cells. The cells were dosed with these complexes at varying concentrations, and cell viability was measured by a sulforhodamine B (SRB) method. To study mechanisms of action, the complexes were incubated with topoisomerase II (topo II) and supercoiled DNA, linear DNA, nicked open DNA, and relaxed DNA were detected by agarose gel electrophoresis. The results revealed that these complexes are effective antitumor chemicals in inhibiting MCF-7 cell growth, with Ni-NQTS being the most effective among the complexes studied. Our data also indicated that Ni-NQTS is more effective than the commercial antitumor drug, etoposide, based on IC(50) values. The mechanistic study of action showed that metal complexes of NQTS, NQ, and NQTS can only stabilize the single-strand nicked DNA, but not double-strand breakage intermediates. In addition, metal derivatives of these ligands, but not the parent NQ and NQTS, exerted an antagonizing effect on topoisomerase II activity. In summary, chemicals with or without metal derivatives might possess different chemical-topoisomerase II-DNA interactions. PMID:15126073

  17. Antioxidant, antimicrobial, and theoretical studies of the thiosemicarbazone derivative Schiff base 2-(2-imino-1-methylimidazolidin-4-ylidene)hydrazinecarbothioamide (IMHC)

    PubMed Central

    2012-01-01

    Background Adverse antimicrobial activities of thiosemicarbazone (TSC) and Schiff base derivatives have widely been studied by using different kinds of microbes, in addition different methods were used to assay the antioxidant activities using DPPH, peroxids, or ntrosyl methods. However, there are no studies describing the synthesis of TSC derived from creatinine. Results In this study, 2-(2-imino-1-methylimidazolidin-4-ylidene)hydrazinecarbothioamide (IMHC) was synthesized by the reaction of creatinine with thiosemicarbazide. The novel molecule was characterized by FT-IR, UV-VIS, and NMR spectra in addition of the elemental analysis. The free radical scavenging ability of the IMHC was determined by it interaction with the stable-free radical 2,2"-diphenyl-1-picrylhydrazyl (or nitric oxide or hydrogen peroxide) and showed encouraging antioxidant activities. Density functional theory calculations of the IMHC performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms. Highest occupied molecular orbital-lowest unoccupied molecular orbital energies and structures are shown. Conclusions IMHC shows considerable antibacterial and antifungal activities. The free radical scavenging activity of synthesized compound was screened for in vitro antioxidant activity. PMID:22373542

  18. Synthesis and Characterization of New Palladium(II) Thiosemicarbazone Complexes and Their Cytotoxic Activity against Various Human Tumor Cell Lines

    PubMed Central

    Hernández, Wilfredo; Paz, Juan; Carrasco, Fernando; Spodine, Evgenia; Manzur, Jorge; Sieler, Joachim; Blaurock, Steffen; Beyer, Lothar

    2013-01-01

    The palladium(II) bis-chelate complexes of the type [Pd(TSC1-5)2] (6–10), with their corresponding ligands 4-phenyl-1-(acetone)-thiosemicarbazone, HTSC1 (1), 4-phenyl-1-(2?-chloro-benzaldehyde)-thiosemicarbazone, HTSC2 (2), 4-phenyl-1-(3?-hydroxy-benzaldehyde)-thiosemicarbazone, HTSC3 (3), 4-phenyl-1-(2?-naphthaldehyde)-thiosemicarbazone, HTSC4 (4), and 4-phenyl-1-(1?-nitro-2?-naphthaldehyde)-thiosemicarbazone, HTSC5 (5), were synthesized and characterized by elemental analysis and spectroscopic techniques (IR and 1H- and 13C-NMR). The molecular structure of HTSC3, HTSC4, and [Pd(TSC1)2] (6) have been determined by single crystal X-ray crystallography. Complex 6 shows a square planar geometry with two deprotonated ligands coordinated to PdII through the azomethine nitrogen and thione sulfur atoms in a cis arrangement. The in vitro cytotoxic activity measurements indicate that the palladium(II) complexes (IC50 = 0.01–9.87??M) exhibited higher antiproliferative activity than their free ligands (IC50 = 23.48–70.86 and >250??M) against different types of human tumor cell lines. Among all the studied palladium(II) complexes, the [Pd(TSC3)2] (8) complex exhibited high antitumor activity on the DU145 prostate carcinoma and K562 chronic myelogenous leukemia cells, with low values of the inhibitory concentration (0.01 and 0.02??M, resp.). PMID:24391528

  19. Spectrophotometric, voltammetric and cytotoxicity studies of 2-hydroxy-5-methoxyacetophenone thiosemicarbazone and its N(4)-substituted derivatives: a combined experimental-computational study.

    PubMed

    Akgemci, Emine Guler; Saf, Ahmet Ozgur; Tasdemir, Halil Ugur; Türkkan, Ercan; Bingol, Haluk; Turan, Suna Ozbas; Akkiprik, Mustafa

    2015-02-01

    In this study, 2-hydroxy-5-methoxyacetophenone thiosemicarbazone (HMAT) and its novel N(4) substituted derivatives were synthesized and characterized by different techniques. The optical band gap of the compounds and the energy of HOMO were experimentally examined by UV-vis spectra and cyclic voltammetry measurements, respectively. Furthermore, the conformational spaces of the compounds were scanned with molecular mechanics method. The geometry optimization, HOMO and LUMO energies, the energy gap of the HOMO-LUMO, dipole moment of the compounds were theoretically calculated by the density functional theory B3LYP/6-311++G(d,p) level. The minimal electronic excitation energy and maximum wavelength calculations of the compounds were also performed by TD-DFT//B3LYP/6-311++G(d,p) level of theory. Theoretically calculated values were compared with the related experimental values. The combined results exhibit that all compounds have good electron-donor properties which affect anti-proliferative activity. The cytotoxic effects of the compounds were also evaluated against HeLa (cervical carcinoma), MCF-7 (breast carcinoma) and PC-3 (prostatic carcinoma) cell lines using the standard MTT assay. All tested compounds showed antiproliferative effect having IC50 values in different range. In comparison with that of HMAT, it was obtained that while ethyl group on 4(N)-substituted position decreased in potent anti-proliferative effect, the phenyl group on the position increased in anti-proliferative effect for the tested cancer cell line. Considering the molecular energy parameters, the cytotoxicity activities of the compounds were discussed. PMID:25448971

  20. Spectrophotometric, voltammetric and cytotoxicity studies of 2-hydroxy-5-methoxyacetophenone thiosemicarbazone and its N(4)-substituted derivatives: A combined experimental-computational study

    NASA Astrophysics Data System (ADS)

    Akgemci, Emine Guler; Saf, Ahmet Ozgur; Tasdemir, Halil Ugur; Türkkan, Ercan; Bingol, Haluk; Turan, Suna Ozbas; Akkiprik, Mustafa

    2015-02-01

    In this study, 2-hydroxy-5-methoxyacetophenone thiosemicarbazone (HMAT) and its novel N(4) substituted derivatives were synthesized and characterized by different techniques. The optical band gap of the compounds and the energy of HOMO were experimentally examined by UV-vis spectra and cyclic voltammetry measurements, respectively. Furthermore, the conformational spaces of the compounds were scanned with molecular mechanics method. The geometry optimization, HOMO and LUMO energies, the energy gap of the HOMO-LUMO, dipole moment of the compounds were theoretically calculated by the density functional theory B3LYP/6-311++G(d,p) level. The minimal electronic excitation energy and maximum wavelength calculations of the compounds were also performed by TD-DFT//B3LYP/6-311++G(d,p) level of theory. Theoretically calculated values were compared with the related experimental values. The combined results exhibit that all compounds have good electron-donor properties which affect anti-proliferative activity. The cytotoxic effects of the compounds were also evaluated against HeLa (cervical carcinoma), MCF-7 (breast carcinoma) and PC-3 (prostatic carcinoma) cell lines using the standard MTT assay. All tested compounds showed antiproliferative effect having IC50 values in different range. In comparison with that of HMAT, it was obtained that while ethyl group on 4(N)-substituted position decreased in potent anti-proliferative effect, the phenyl group on the position increased in anti-proliferative effect for the tested cancer cell line. Considering the molecular energy parameters, the cytotoxicity activities of the compounds were discussed.

  1. Synthesis, spectral and antimicrobial activity of Zn(II) complexes with Schiff bases derived from 2-hydrazino-5-[substituted phenyl]-1,3,4-thiadiazole and benzaldehyde/2-hydroxyacetophenone/indoline-2,3-dione

    NASA Astrophysics Data System (ADS)

    Singh, Ajay K.; Pandey, O. P.; Sengupta, S. K.

    2013-09-01

    Zn(II) complexes have been synthesized by reacting zinc acetate with Schiff bases derived from 2-hydrazino-5-[substituted phenyl]-1,3,4-thiadiazole and 2-hydroxyacetophenone/benzaldehyde/indoline-2,3-dione. All these complexes are soluble in DMF and DMSO; low molar conductance values indicate that they are non electrolytes. Elemental analyses suggest that the complexes have 1:2 metal to ligands stoichiometry of the types [ZnL2(H2O)2](L = monoanionic Schiff bases derived from 2-hydrazino-5-[substituted phenyl]-1,3,4-thiadiazole and 2-hydroxyacetophenone/indoline-2,3-dione) [ZnL2?(OOCCH3)2(H2O)2](L? = neutral Schiff bases derived from 2-hydrazino-5-[substituted phenyl]-1,3,4-thiadiazole and benzaldehyde), and they were characterized by IR, 1H NMR, and 13C NMR. Particle sizes of synthesized compounds were measured with dynamic light scattering (DLS) analyser which indicates that particle diameter are of the range ca. 100-200 nm. All these Schiff bases and their complexes have also been screened for their antibacterial (Bacillus subtilis (B. subtilis), Escherichia coli (E. coli) and antifungal activities (Colletotrichum falcatum (C. falcatum), Aspergillus niger (A. niger), Fusarium oxysporium (F. oxysporium) Curvularia pallescence (C. pallescence). The antimicrobial activities have shown that upon complexation the activity increases.

  2. Inhibitory effects of benzaldehyde derivatives from the marine fungus Eurotium sp. SF-5989 on inflammatory mediators via the induction of heme oxygenase-1 in lipopolysaccharide-stimulated RAW264.7 macrophages.

    PubMed

    Kim, Kyoung-Su; Cui, Xiang; Lee, Dong-Sung; Ko, Wonmin; Sohn, Jae Hak; Yim, Joung Han; An, Ren-Bo; Kim, Youn-Chul; Oh, Hyuncheol

    2014-01-01

    Two benzaldehyde derivatives, flavoglaucin (1) and isotetrahydro-auroglaucin (2), were isolated from the marine fungus Eurotium sp. SF-5989 through bioassay- and 1H NMR-guided investigation. In this study, we evaluated the anti-inflammatory effects of these compounds in lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages. We demonstrated that compounds 1 and 2 markedly inhibited LPS-induced nitric oxide (NO) and prostaglandin E2 (PGE2) production by suppressing inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) protein expression without affecting cell viability. We also demonstrated that the compounds reduced the secretion of pro-inflammatory cytokines such as tumor necrosis factor-? (TNF-?), interleukin-1? (IL-1?) and interleukin-6 (IL-6). Furthermore, compounds 1 and 2 inhibited LPS-induced nuclear factor-?B (NF-?B) activation by suppressing phosphorylation of IkappaB (I?B). These results indicated that the anti-inflammatory effects of these benzaldehyde derivatives in LPS-stimulated RAW264.7 macrophages were due to the inactivation of the NF-?B pathway. In addition, compounds 1 and 2 induced heme oxygenase-1 (HO-1) expression through the nuclear transcription factor-E2-related factor 2 (Nrf2) translocation. The inhibitory effects of compounds 1 and 2 on the production of pro-inflammatory mediators and on NF-?B binding activity were reversed by HO-1 inhibitor tin protoporphyrin (SnPP). Thus, the anti-inflammatory effects of compounds 1 and 2 also correlated with their ability of inducing HO-1 expression. PMID:25535073

  3. The effect of some transition metal ions exchanged with zeolites on benzaldehyde, benozophenone and cyclohexanone phenylhydrazones

    Microsoft Academic Search

    F. Farzaneh; J. Soleimannejad; M. Ghandi

    1997-01-01

    Phenylhydrazone derivatives of benzaldehyde, benzophenone and cyclohexanone under the catalytic effect of exchanged zeolite NaY (NaA and HS in some cases) with transition metal ions of chromium (III), iron (III), manganese (II), nickel (II) and copper (II) in refluxing benzene resulted in the formation of benzaldehyde, benzophenone and cyclohexanone respectively, Side products like benzonitrile and biphenyl were also identified.

  4. Synthesis, Spectral, and Biological Properties of Copper(II) Complexes of Thiosemicarbazones of Schiff Bases Derived from 4-Aminoantipyrine and Aromatic Aldehydes

    PubMed Central

    Agarwal, Ram K.; Singh, Lakshman; Sharma, Deepak Kumar

    2006-01-01

    We have synthesized a novel series of Schiff bases by condensation of 4-aminoantipyrine and various aromatic aldehydes followed by reaction with thiosemicarbazide. These thiosemicarbazones are potential ligands toward transition metal ions. The reaction of copper(II) salts with 4[N-(benzalidene)amino]antipyrinethiosemicarbazone (BAAPTS), 4[N-(4?-methoxybenzalidene) amino] antipyrinethiosemicarbozone (MBAAPTS), 4[N-(4?-dimethylamino benzalidene) amino] antipyrinethiosemicarbazone (DABAAPTS), and 4[N-(cinnamalidene) amino] antipyrinethiosemicarbazone (CAAPTS) resulted in the formation of solid complexes with the general composition CuX2 · (H2O)(L)(X = Cl, Br,NO3,NCS, or CH3COO; L = BAAPTS, MBAAPTS, DABAAPTS, or CAAPTS). These complexes were characterized through elemental analysis, molecular weight, electrical conductance, infrared, electronic spectra, and magnetic susceptibilities at room temperature. Copper(II) complexes with BAAPTS and MBAAPTS were screened for antibacterial and antifungal properties and have exhibited potential activity. Thermal stabilities of two representative complexes were also investigated. PMID:17497009

  5. Impact of terminal dimethylation on the resistance profile of ?-N-heterocyclic thiosemicarbazones

    PubMed Central

    Heffeter, Petra; Pirker, Christine; Kowol, Christian R.; Herrman, Gerrit; Dornetshuber, Rita; Miklos, Walter; Jungwirth, Ute; Koellensperger, Gunda; Keppler, Bernhard K.; Berger, Walter

    2012-01-01

    Triapine is an ?-N-heterocyclic thiosemicarbazone with promising anticancer activity against hematologic malignancies but widely ineffective against solid tumor types in clinical trials. The anticancer activity of thiosemicarbazones can be dramatically increased by terminal dimethylation. KP1089 is a gallium compound containing two terminal dimethylated thiosemicarbazone ligands. To gain insights on the vulnerability of this highly active terminal dimethylated thiosemicarbazone to drug resistance mechanisms, a new cell model with acquired resistance against the lead compound KP1089 was established. Subsequent genomic analyses (arrayCGH and FISH) revealed amplification of the ABCC1 gene on double minute chromosomal DNA in KP1089-resistant cells as well as overexpression of ABCC1 and ABCG2 on the protein level. KP1089 was further confirmed as a substrate of ABCC1 and ABCG2 but not of ABCB1 using a panel of ABC transporter-overexpressing cell models as well as ABC transporter inhibitors. Moreover, glutathione depletion strongly enhanced KP1089 activity, although no glutathione conjugate formation by glutathione-S-transferase was observed. Thus, a co-transport of KP1089 together with glutathione is suggested. Finally, a panel of thiosemicarbazone derivatives was tested on the new KP1089-resistant cell line. Notably, KP1089-resistant cells were not cross-resistant against thiosemicarbazones lacking terminal dimethylation (e.g. Triapine) which are less active than KP1089. This suggests that terminal dimethylation of thiosemicarbazones – linked with distinctly enhanced anticancer activity – leads to altered resistance profiles compared to classical thiosemicarbazones making this compound class of interest for further (pre)clinical evaluation. PMID:22426010

  6. Synthesis and spectral characterization of mono- and binuclear copper(II) complexes derived from 2-benzoylpyridine-N(4)-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 [Formula: see text] ground state. The thermal stabilities of some of the complexes were also determined. PMID:25546494

  7. HEALTH AND ENVIRONMENTAL EFFECTS PROFILE FOR BENZALDEHYDE

    EPA Science Inventory

    The Health and Environmental Effects Profile for benzaldehyde was prepared by the Office of Health and Environmental Assessment, Environmental Criteria and assessment Office, Cincinnati, OH for the Office of Solid Waste and Emergency Response to support listings of hazardous cons...

  8. 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

  9. Computer evaluation of antiviral activities of some thiosemicarbazones in experiments in vivo.

    PubMed

    Borysiewicz, J; Tadeusiewicz, R

    1976-10-01

    A new mathematical method based on 3-, 4- or 6-point parallel-line assays was applied for working out a computer programme used to evaluate the activity of some new isatin-beta-thiosemicarbazone derivatives against vaccinia virus, studied in vivo. PMID:11668

  10. The influence of the different inductivity of acetyl phenyl-thiosemicarbazone-chitosan on antimicrobial activities.

    PubMed

    Zhong, Zhimei; Aotegen, Bayaer; Xu, Hui

    2011-06-01

    Ten different acetyl phenyl-thiosemicarbazone derivatives of chitosan were synthesized. Their structures were characterized by FT-IR and elemental analysis. The antimicrobial behaviors of CS and its derivatives against four species of bacteria and four crop-threatening pathogenic fungi were investigated in this paper. The results indicated that the antimicrobial activities of acetyl phenyl-thiosemicarbazone derivatives are much better than that of pure CS. The minimum value of MIC and MBC of the derivatives against Escherichia coli was 7.03 and 225 ?g mL(-1), respectively. All of the derivatives had significant inhibiting effect on the investigated fungi in the concentration of 50-500 ?g mL(-1), and the maximum inhibitory index was 93.10%. The bioactivities of the derivatives have relationship with the grafted groups with different inductivity. PMID:21310176

  11. Gold catalyst Styrene Benzaldehyde Styrene oxide Acetophenone

    E-print Network

    Rouyer, Francois

    O O O + + O2 Gold catalyst Styrene Benzaldehyde Styrene oxide Acetophenone studies. However, the study by Turner et al.1 seems to be the first to use Au55 in the synthesis of supported gold catalysts attempts to relate structure to activity in gold catalysis. What, then, makes gold particles of this size

  12. Complexes of 3d(n) metal ions with thiosemicarbazones: synthesis and antimicrobial activity.

    PubMed

    Rosu, Tudor; Gulea, Aurelian; Nicolae, Anca; Georgescu, Rodica

    2007-01-01

    The chelating behavior of the thiosemicarbazone derivatives of 2-hydroxy-8-R-tricyclo[7.3.1.0.(2,7)]tridecane-13-one (where R = H, CH3, C6H5) towards Co(II), Ni(II) and Cu(II) has been investigated by elemental analysis, molar conductivity measurements, UV-VIS, IR, ESR spectroscopy and thermal studies. It was deduced from the experiments performed that the ligands coordinate to metal ions in different ways--neutral bidentate or mononegative bidentate--depending on the nature of R. Also, if metal acetates are used instead of metal chlorides, the ligands coordinate in a mononegative bidentate fashion, regardless of the nature of R or the thiosemicarbazone type ligand. The antimicrobial activity of the ligands and of the complexes towards samples of Acinetobacter boumanii, Klebsiella pneumoniae, Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa was determined. PMID:17851430

  13. Synthesis, Spectroscopic and Toxicity Studies of Titanocene Chelates of Isatin-3-Thiosemicarbazones

    PubMed Central

    Vatsa, Garima; Pandey, O. P.; Sengupta, S. K.

    2005-01-01

    The reactions of bis(cyclopentadienyl)titanium(IV) dichloride with a new class of thiosemicarbazone (LH2), derived by condensing isatin with different N(4)-substituted thiosemicarbazides, have been studied and products of type [Cp2Ti(L)] have been isolated. On the basis of various physico-chemical and spectral studies, five coordinate structures have been assigned to these derivatives. Toxicity studies of titanocene complexes at tbur different concentrations have been carried out against snail Lymnaea acuminata. The effect of most potent compounds on the activity of acetylcholinesterase enzyme, which inhibits the activity of enzyme, possibly by the formation of enzyme-inhibitor complex, was also studied. PMID:18365096

  14. Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde.

    PubMed

    Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang

    2015-02-17

    Two novel dimethylphenyl imidazole dicarboxylate-based lanthanide(iii)-organic frameworks, [Ln(H2DMPhIDC)3(H3DMPhIDC)]n (Ln = Eu (), Tb (); H3DMPhIDC = 2-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid) have been synthesized under hydrothermal conditions. Single crystal X-ray diffraction analyses revealed that polymers and crystallize in the tetragonal space group I41 and exhibit isostructural three-dimensional (3D) solid-state frameworks. Both complexes indicate characteristic sharp emission bands of Eu(3+) or Tb(3+) ions, which are selectively sensitive to benzaldehyde-based derivatives (benzaldehyde, m-methylbenzaldehydes, m-carboxylbenzaldehyde and m-hydroxybenzaldehyde). These properties make both complexes potential fluorescence sensors for these chemicals. PMID:25641054

  15. Trypanotoxic activity of thiosemicarbazone iron chelators.

    PubMed

    Ellis, Samuel; Sexton, Darren W; Steverding, Dietmar

    2015-03-01

    Only a few drugs are available for treating sleeping sickness and nagana disease; parasitic infections caused by protozoans of the genus Trypanosoma in sub-Saharan Africa. There is an urgent need for the development of new medicines for chemotherapy of these devastating diseases. In this study, three newly designed thiosemicarbazone iron chelators, TSC24, Dp44mT and 3-AP, were tested for in vitro activity against bloodstream forms of Trypanosoma brucei and human leukaemia HL-60 cells. In addition to their iron chelating properties, TSC24 and Dp44mT inhibit topoisomerase II? while 3-AP inactivates ribonucleotide reductase. All three compounds exhibited anti-trypanosomal activity, with minimum inhibitory concentration (MIC) values ranging between 1 and 100?µM and 50% growth inhibition (GI50) values of around 250?nM. Although the compounds did not kill HL-60 cells (MIC values >100?µM), TSC24 and Dp44mT displayed considerable cytotoxicity based on their GI50 values. Iron supplementation partly reversed the trypanotoxic and cytotoxic activity of TSC24 and Dp44mT but not of 3-AP. This finding suggests possible synergy between the iron chelating and topoisomerase II? inhibiting activity of the compounds. However, further investigation using separate agents, the iron chelator deferoxamine and the topoisomerase II inhibitor epirubicin, did not support any synergy for the interaction of iron chelation and topoisomerase II inhibition. Furthermore, TSC24 was shown to induce DNA degradation in bloodstream forms of T. brucei indicating that the mechanism of trypanotoxic activity of the compound is topoisomerase II independent. In conclusion, the data support further investigation of thiosemicarbazone iron chelators with dual activity as lead compounds for anti-trypanosomal drug development. PMID:25595343

  16. A novel series of thiosemicarbazone drugs: from synthesis to structure.

    PubMed

    Ebrahimi, Hossein Pasha; Hadi, Jabbar S; Alsalim, Tahseen A; Ghali, Thaer S; Bolandnazar, Zeinab

    2015-02-25

    A new series of thiosemicarbazones (TSCs) and their 1,3,4-thiadiazolines (TDZs) containing acetamide group have been synthesized from thiosemicarbazide compounds by the reaction of TSCs with cyclic ketones as well as aromatic aldehydes. The structures of newly synthesized 1,3,4-thiadiazole derivatives obtained by heterocyclization of the TSCs with acetic anhydride were experimentally characterized by spectral methods using IR, (1)H NMR, (13)C NMR and mass spectroscopic methods. Furthermore, the structural, thermodynamic, and electronic properties of the studied compounds were also studied theoretically by performing Density Functional Theory (DFT) to access reliable results to the experimental values. The molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) and Mulliken atomic charges of the studied compounds have been calculated at the B3LYP method and standard 6-31+G(d,p) basis set starting from optimized geometry. The theoretical (13)C chemical shift results were also calculated using the gauge independent atomic orbital (GIAO) approach and their respective linear correlations were obtained. PMID:25291504

  17. A novel series of thiosemicarbazone drugs: From synthesis to structure

    NASA Astrophysics Data System (ADS)

    Ebrahimi, Hossein Pasha; Hadi, Jabbar S.; Alsalim, Tahseen A.; Ghali, Thaer S.; Bolandnazar, Zeinab

    2015-02-01

    A new series of thiosemicarbazones (TSCs) and their 1,3,4-thiadiazolines (TDZs) containing acetamide group have been synthesized from thiosemicarbazide compounds by the reaction of TSCs with cyclic ketones as well as aromatic aldehydes. The structures of newly synthesized 1,3,4-thiadiazole derivatives obtained by heterocyclization of the TSCs with acetic anhydride were experimentally characterized by spectral methods using IR, 1H NMR, 13C NMR and mass spectroscopic methods. Furthermore, the structural, thermodynamic, and electronic properties of the studied compounds were also studied theoretically by performing Density Functional Theory (DFT) to access reliable results to the experimental values. The molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) and Mulliken atomic charges of the studied compounds have been calculated at the B3LYP method and standard 6-31+G(d,p) basis set starting from optimized geometry. The theoretical 13C chemical shift results were also calculated using the gauge independent atomic orbital (GIAO) approach and their respective linear correlations were obtained.

  18. QSAR Studies of Copper Azamacrocycles and Thiosemicarbazones

    PubMed Central

    Wolohan, Peter; Yoo, Jeongsoo; Welch, Michael J.; Reichert, David E.

    2008-01-01

    Genetic algorithms (GA) were used to develop specific copper metal-ligand force field parameters for the MM3 force field, from a combination of crystallographic structures and ab initio calculations. These new parameters produced results in good agreement with experiment and previously reported copper metal-ligand parameters for the AMBER force field. The MM3 parameters were then used to develop several Quantitative Structure Activity Relationship (QSAR) models. A successful QSAR for predicting the lipophilicity (logPow) of several classes of Cu(II) chelating ligands, was built using a training set of thirty-two Cu(II) radiometal complexes and six simple molecular descriptors. The QSAR exhibited a correlation between the predicted and experimental logPow with a r2 = 0.95, q2 = 0.92. When applied to an external test set of eleven Cu(II) complexes the QSAR preformed with great accuracy; r2 = 0.93 and a q2 = 0.91 utilizing a leave-one-out cross-validation analysis. Additional QSAR models were developed to predict the biodistribution of a smaller set of Cu(II) bis(thiosemicarbazone) complexes. PMID:16107156

  19. Synthesis, spectral characterization and eukaryotic DNA degradation of thiosemicarbazones and their platinum(IV) complexes.

    PubMed

    Al-Hazmi, G A; El-Metwally, N M; El-Gammal, O A; El-Asmy, A A

    2008-01-01

    The condensation products of acetophenone (or its derivatives), salicylaldehyde and o-hydroxy-p-methoxybenzophenone with thiosemicarbazide and ethyl- or phenyl-thiosemicarbazide are the investigated thiosemicarbazones. Their reactions with H(2)PtCl(6) produced Pt(IV) complexes characterized by elemental, thermal, mass, IR and electronic spectral studies. The coordination modes were found mononegative bidentate in the acetophenone derivatives and binegative tridentate in the salicylaldehyde derivatives. The complexes were analyzed thermogravimetrically and found highly stable. Some ligands and their complexes were screened against Sarcina sp. and E. coli using the cup-diffusion technique. [Pt(oHAT)(OH)Cl] shows higher activity against E. coli than the other compounds. The degradation power of the tested compounds on the calf thymus DNA supports their selectivity against bacteria and not against the human or related eukaryotic organisms. PMID:17500028

  20. Concerning the stability of benzyl alcohol: formation of benzaldehyde dibenzyl acetal under aerobic conditions

    Microsoft Academic Search

    Andreas M Abend; Le Chung; Richard Todd Bibart; Marvin Brooks; David G McCollum

    2004-01-01

    An impurity in benzyl alcohol was identified as benzaldehyde dibenzyl acetal (BDBA). The component BDBA is reversibly formed by the reaction of benzyl alcohol with benzaldehyde, an oxidative degradation product of benzyl alcohol. Whereas, BDBA is a known chemical entity, it is not typically controlled in commercial benzyl alcohol since it cannot be formed in the absence of benzaldehyde, which

  1. Organometallic ruthenium complexes with thiosemicarbazone ligands: Synthesis, structure and cytotoxicity of [(?6-p-cymene)Ru(NS)Cl]+ (NS = 9-anthraldehyde thiosemicarbazones)

    PubMed Central

    Beckford, Floyd A.; Leblanc, Gabriel; Thessing, Jeffrey; Shaloski, Michael; Frost, Brian J.; Li, Liya; Seeram, Navindra P.

    2009-01-01

    A series of half-sandwich arene-ruthenium complexes of the type [(?6-p-cymene) Ru(thiosemicarbazone)Cl]+ have been synthesized and their biological activity investigated. The first structurally characterized arene-ruthenium half-sandwich complex with a thiosemicarbazone ligand is reported. PMID:20160909

  2. Kinetics and specificity of guinea pig liver aldehyde oxidase and bovine milk xanthine oxidase towards substituted benzaldehydes

    Microsoft Academic Search

    Georgios I. Panoutsopoulos; Christine Beedham

    2004-01-01

    Molybdenum-containing enzymes, aldehyde oxidase and xanthine oxidase, are im- portant in the oxidation of N-heterocyclic xenobiotics. However, the role of these en- zymes in the oxidation of drug-derived aldehydes has not been established. The present investigation describes the interaction of eleven structurally related benzaldehydes with guinea pig liver aldehyde oxidase and bovine milk xanthine oxidase, since they have similar substrate

  3. Synthesis and cytotoxic activity of N-substituted thiosemicarbazones of 3-(3,4-methylenedioxy)phenylpropanal.

    PubMed

    Joselice e Silva, M; Alves, A J; Do Nascimento, S C

    1998-03-01

    Five new N-substituted thiosemicarbazones of 3-(3,4-methylenedioxy)phenylpropanal were synthesized. Safrole, a natural product obtained from sassafras oil (Ocotea pretiosa), was oxidized to alcohol using BH3-THF and H2O2, followed by oxidation to aldehyde using pyridinium dichromate (PDC) and condensation with five N-substituted derivatives of thiosemicarbazide. Tests were performed to evaluate the cytotoxic activity with continuous chain KB cells (epidermoide carcinoma of the floor of the mouth). Compounds 5 and 6 showed IC50 values of 1.5 and 4.6 micrograms/ml, respectively. PMID:9639871

  4. A kinetic model for the deactivation of pyruvate decarboxylase (PDC) by benzaldehyde

    Microsoft Academic Search

    Y. S. Chow; H. S. Shin; A. A. Adesina; P. L. Rogers

    1995-01-01

    To provide further understanding of the biotransformation of benzaldehyde to L-phenylacetyl carbinol (L-PAC), an intermediate in L-ephedrine production, a kinetic model has been developed for the deactivation of pyruvate decarboxylase (PDC) by benzaldehyde. The model confirms that deactivation is first order with respect to benzaldehyde concentration and exhibits a square root dependency on time. The model covers the range of

  5. Synthesis of a Sugar-Based Thiosemicarbazone Series and Structure-Activity Relationship versus the Parasite Cysteine Proteases Rhodesain, Cruzain, and Schistosoma mansoni Cathepsin B1.

    PubMed

    Fonseca, Nayara Cristina; da Cruz, Luana Faria; da Silva Villela, Filipe; do Nascimento Pereira, Glaécia Aparecida; de Siqueira-Neto, Jair Lage; Kellar, Danielle; Suzuki, Brian M; Ray, Debalina; de Souza, Thiago Belarmino; Alves, Ricardo José; Júnior, Policarpo Ademar Sales; Romanha, Alvaro José; Murta, Silvane Maria Fonseca; McKerrow, James H; Caffrey, Conor R; de Oliveira, Renata Barbosa; Ferreira, Rafaela Salgado

    2015-05-01

    The pressing need for better drugs against Chagas disease, African sleeping sickness, and schistosomiasis motivates the search for inhibitors of cruzain, rhodesain, and Schistosoma mansoni CB1 (SmCB1), the major cysteine proteases from Trypanosoma cruzi, Trypanosoma brucei, and S. mansoni, respectively. Thiosemicarbazones and heterocyclic analogues have been shown to be both antitrypanocidal and inhibitory against parasite cysteine proteases. A series of compounds was synthesized and evaluated against cruzain, rhodesain, and SmCB1 through biochemical assays to determine their potency and structure-activity relationships (SAR). This approach led to the discovery of 6 rhodesain, 4 cruzain, and 5 SmCB1 inhibitors with 50% inhibitory concentrations (IC50s) of ?10 ?M. Among the compounds tested, the thiosemicarbazone derivative of peracetylated galactoside (compound 4i) was discovered to be a potent rhodesain inhibitor (IC50 = 1.2 ± 1.0 ?M). The impact of a range of modifications was determined; removal of thiosemicarbazone or its replacement by semicarbazone resulted in virtually inactive compounds, and modifications in the sugar also diminished potency. Compounds were also evaluated in vitro against the parasites T. cruzi, T. brucei, and S. mansoni, revealing active compounds among this series. PMID:25712353

  6. 4-{Phen­yl[4-(6-phenyl-2,2?-bipyridin-4-yl)phen­yl]amino}­benzaldehyde

    PubMed Central

    Zhang, Yu-yang; Pan, Jian-Ting; Huang, Jian-Yan

    2014-01-01

    The title mol­ecule, C35H25N3O, is a tri­phenyl­amine derivative with the 4-position substituted by an aldehyde group, and the 4?-position substituted by a 6-phenyl-2,2?-bi­pyridine group. The whole mol­ecule is non-planar and the dihedral angle between the core benzene and pyridine rings is 36.96?(5)°. The dihedral angle between the phenyl and benzaldehyde groups bonded to the amine N atom is 70.86?(5)°. PMID:25249893

  7. Synthesis and biological evaluation of 2-benzoylpyridine thiosemicarbazones in a dimeric system: structure-activity relationship studies on their anti-proliferative and iron chelation efficacy.

    PubMed

    Lukmantara, Adeline Y; Kalinowski, Danuta S; Kumar, Naresh; Richardson, Des R

    2014-12-01

    Thiosemicarbazone chelators represent an exciting class of biologically active compounds that show great potential as anti-tumor agents. Our previous studies demonstrated the potent anti-tumor activity of the 2'-benzoylpyridine thiosemicarbazone series. While extensive studies have been performed on monomeric thiosemicarbazone compounds, dimeric thiosemicarbazone chelators have received comparatively less attention. Thus, it was of interest to investigate the anti-proliferative activity and iron chelation efficacy of dimeric thiosemicarbazones. Two classes of dimeric thiosemicarbazones were designed and synthesized. The first class consisted of two benzoylpyridine-based thiosemicarbazone units connected via a hexane or dodecane alkyl bridge, while the second class of dimer consisted of two thiosemicarbazones attached to a 2,6-dibenzoylpyridine core. These dimeric ligands demonstrated greater anti-proliferative activity than the clinically used iron chelator, desferrioxamine. This study highlights the importance of optimal lipophilicity as a factor influencing the cytotoxicity and iron chelation efficacy of these chelators. PMID:25217717

  8. Synthesis of Some Heterocycles of Expected Biological Activity Through the Action of Isatin3Thiosemicarbazone on Acetylenic Ketones and Esters

    Microsoft Academic Search

    Ahmed S. A. Youssef

    2002-01-01

    Isatin-3-thiosemicarbazone ( 1 ) reacted with 1-aryl-3-phenylprop-2-yn-1-ones ( 2a-c ) in n-butanol to give 4-aryl-6-phenyl-2-[2-oxo-2H,3H-benzo(b) pyrrolidine-3-iminyl]-imino-2H-1,3-thiazines ( 3a-c ). Similar treatment of 1 with acetylenic esters ( 4a-c ) gave the 6-substituted derivatives of 2-imino-3-[2-oxo-2H,3H-benzo(b)pyrrolidine-3-iminyl]-2,3-dihydro-4-oxo-1,3-thiazine ( 5a-c ). Treatment of 1 with 4a-c in the presence of sodium ethoxide in ethanol gave the 6-substituted derivatives of 3-[2-oxo-2H,3H-benzo(b)pyrrolidine-3-iminyl]-4-oxo-2-thioxo-1,2,4-trihydropyrimidine ( 6a-c ).

  9. 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.

  10. Serotonin mediates a learned increase in attraction to high concentrations of benzaldehyde in aged C. elegans

    Microsoft Academic Search

    David Tsui; Derek van der Kooy

    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 benzaldehyde compared with young adults. This delayed avoidance is due

  11. Syntheses, crystal structures and antimicrobial activities of 6-coordinate antimony(III) complexes with tridentate 2-acetylpyridine thiosemicarbazone, bis(thiosemicarbazone) and semicarbazone ligands.

    PubMed

    Kasuga, Noriko Chikaraishi; Onodera, Kuniaki; Nakano, Saori; Hayashi, Kunihiko; Nomiya, Kenji

    2006-07-01

    Five novel antimony(III) complexes with the mono- and bis(thiosemicarbazone) ligands of 2N1S or 4N2S donor atoms, N'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide (Hmtsc, L1) and bis[N'-[1-(2-pyridyl)ethylidene

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

    NASA Astrophysics Data System (ADS)

    Mahjoub, Omima Abdalla; Farina, Yang

    2014-09-01

    Two novel copper(II) complexes [Cu(HL)Cl]Cl?H2O (1) and [Cu(L)NO3]?H2O (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.

  13. 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.

  14. Synthesis, characterization and binding affinities of rhenium(I) thiosemicarbazone complexes for the estrogen receptor (?/?).

    PubMed

    Núñez-Montenegro, Ara; Carballo, Rosa; Vázquez-López, Ezequiel M

    2014-11-01

    The binding affinities towards estrogen receptors (ERs) ? and ? of a set of thiosemicarbazone ligands (HL(n)) and their rhenium(I) carbonyl complexes [ReX(HL(n))(CO)3] (X=Cl, Br) were determined by a competitive standard radiometric assay with [(3)H]-estradiol. The ability of the coordinated thiosemicarbazone ligands to undergo deprotonation and the lability of the ReX bond were used as a synthetic strategy to obtain [Re(hpy)(L(n))(CO)3] (hpy=3- or 4-hydroxypyridine). The inclusion of the additional hpy ligand endows the new thiosemicarbazonate complexes with an improved affinity towards the estrogen receptors and, consequently, the values of the inhibition constant (Ki) could be determined for some of them. In general, the values of Ki for both ER subtypes suggest an appreciable selectivity towards ER?. PMID:25061691

  15. Synthesis, structural characterization and antiproliferative and toxic bio-activities of copper(II) and nickel(II) citronellal N4-ethylmorpholine thiosemicarbazonates.

    PubMed

    Belicchi-Ferrari, Marisa; Bisceglie, Franco; Buschini, Annamaria; Franzoni, Susanna; Pelosi, Giorgio; Pinelli, Silvana; Tarasconi, Pieralberto; Tavone, Matteo

    2010-02-01

    This paper reports the syntheses and characterization of ethylmorpholine substituted citronellal thiosemicarbazone copper(II) and nickel(II) metal complexes. The compounds were characterized through elemental analyses and spectroscopic (IR, UV-Vis, NMR, MS) methods. The X-ray analysis of the two complexes shows that both Ni and Cu derivatives present a square planar coordination, where the coordinating homologous donor atoms bind in trans to each other. The compounds were tested for their biological activity after determination of their octanol-saline partition coefficients, followed by their radical scavenging properties. Eventually the complexes were tested for their proliferation inhibition on human histiocytic lymphoma U937 cell line. The GI(50) values resulted to be 2.3microM for the copper derivative and 12.3microM for the nickel derivative. PMID:19962763

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

    PubMed Central

    2011-01-01

    Background Disruption of cellular antioxidation systems should be an effective method for control of fungal pathogens. Such disruption can be achieved with redox-active compounds. Natural phenolic compounds can serve as potent redox cyclers that inhibit microbial growth through destabilization of cellular redox homeostasis and/or antioxidation systems. The aim of this study was to identify benzaldehydes that disrupt the fungal antioxidation system. These compounds could then function as chemosensitizing agents in concert with conventional drugs or fungicides to improve antifungal efficacy. Methods Benzaldehydes were tested as natural antifungal agents against strains of Aspergillus fumigatus, A. flavus, A. terreus and Penicillium expansum, fungi that are causative agents of human invasive aspergillosis and/or are mycotoxigenic. The yeast Saccharomyces cerevisiae was also used as a model system for identifying gene targets of benzaldehydes. The efficacy of screened compounds as effective chemosensitizers or as antifungal agents in formulations was tested with methods outlined by the Clinical Laboratory Standards Institute (CLSI). Results Several benzaldehydes are identified having potent antifungal activity. Structure-activity analysis reveals that antifungal activity increases by the presence of an ortho-hydroxyl group in the aromatic ring. Use of deletion mutants in the oxidative stress-response pathway of S. cerevisiae (sod1?, sod2?, glr1?) and two mitogen-activated protein kinase (MAPK) mutants of A. fumigatus (sakA?, mpkC?), indicates antifungal activity of the benzaldehydes is through disruption of cellular antioxidation. Certain benzaldehydes, in combination with phenylpyrroles, overcome tolerance of A. fumigatus MAPK mutants to this agent and/or increase sensitivity of fungal pathogens to mitochondrial respiration inhibitory agents. Synergistic chemosensitization greatly lowers minimum inhibitory (MIC) or fungicidal (MFC) concentrations. Effective inhibition of fungal growth can also be achieved using combinations of these benzaldehydes. Conclusions Natural benzaldehydes targeting cellular antioxidation components of fungi, such as superoxide dismutases, glutathione reductase, etc., effectively inhibit fungal growth. They possess antifungal or chemosensitizing capacity to enhance efficacy of conventional antifungal agents. Chemosensitization can reduce costs, abate resistance, and alleviate negative side effects associated with current antifungal treatments. PMID:21627838

  17. 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...

  18. 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…

  19. The microwave and infrared spectroscopy of benzaldehyde: Conflict between theory and experimental deductions

    NASA Astrophysics Data System (ADS)

    Speakman, Lucas D.; Papas, Brian N.; Woodcock, H. Lee; Schaefer, Henry F.

    2004-03-01

    Recently, it has been proposed that ab initio calculations cannot accurately treat molecules comprised of a benzene ring with a ?-conjugated substituent, for example, benzaldehyde. Theoretical predictions of the benzaldehyde barrier to internal rotation are typically a factor of 2 too high in comparison to the experimental values of 4.67 (infared) and 4.90 (microwave) kcal mol-1. However, both experiments use Pitzer's 1946 model to compute the reduced moment of inertia and employ the experimentally observed torsional frequency to deduce benzaldehyde's rotational barrier. When Pitzer's model is applied to a system with a nonconjugated functional group, such as phenol, the model and theoretical values are in close agreement. Therefore, we conclude the model may not account for conjugation between the substituent and the ?-system of benzene. The experimental values of the benzaldehyde rotational barrier are therefore misleading. The true rotational barrier lies closer to the theoretically extrapolated limit of 7.7 kcal mol-1, based on coupled cluster theory.

  20. 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

  1. Two diphosphonate-functionalized asymmetric polyoxomolybdates with catalytic activity for oxidation of benzyl alcohol to benzaldehyde.

    PubMed

    Tan, Huaqiao; Chen, Weilin; Liu, Ding; Feng, Xiaojia; Li, Yangguang; Yan, Aixue; Wang, Enbo

    2011-09-01

    Two asymmetric polyoxomolybdates Na(6){Mo(2)O(5)[(Mo(2)O(6))NH(3)CH(2)CH(2)CH(2)C(O)(PO(3))(2)](2)}·16H(2)O (1) and (NH(4))(7)Na{MoO(2)[(Mo(2)O(6))NH(3)CH(2)CH(2)CH(2)C(O)(PO(3))(2)]}(4)·H(2)O (2) have been synthesized by the reactions of alendronic acid with molybdate. Structure analysis revealed that the polyoxoanions 1 and 2 can be described as dimeric and tetrameric aggregates of the {MoO(3)[(Mo(2)O(6))NH(3)CH(2)CH(2)CH(2)C(O)(PO(3))(2)]} units respectively. Their tetrabutylammonium salts show efficient selective oxidation of benzyl alcohol to benzaldehyde with 72.5% and 81.5% benzyl alcohol conversion, and 87.1% and 82.4% benzaldehyde selectivity, respectively. PMID:21773601

  2. Synthesis, activity and pharmacophore development for isatin-?-thiosemicarbazones with selective activity towards multidrug resistant cellsa

    PubMed Central

    Hall, Matthew D.; Salam, Noeris K.; Hellawell, Jennifer L.; Fales, Henry M.; Kensler, Caroline B.; Ludwig, Joseph A.; Szakacs, Gergely; Hibbs, David E.; Gottesman, Michael M.

    2009-01-01

    We have recently identified a new class of compounds that selectively kill cells that express P-glycoprotein (P-gp, MDR1), the ATPase efflux pump that confers multidrug resistance on cancer cells. Several isatin-?-thiosemicarbazones from our initial study have been validated, and a range of analogs synthesized and tested. A number demonstrated improved MDR1-selective activity over the lead, NSC73306 (1). Pharmacophores for cytotoxicity and MDR1-selectivity were generated to delineate the structural features required for activity. The MDR1-selective pharmacophore highlights the importance of aromatic/hydrophobic features at the N4 position of the thiosemicarbazone, and the reliance on the isatin moiety as key bioisosteric contributors. Additionally, a quantitative structure-activity relationship (QSAR) model that yielded a cross-validated correlation coefficient of 0.85 effectively predicts the cytotoxicty of untested thiosemicarbazones. Together, the models serve as effective approaches for predicting structures with MDR1-selective activity, and aid in directing the search for the mechanism of action of 1. PMID:19397322

  3. Feasibility of gas/solid carboligation: conversion of benzaldehyde to benzoin using thiamine diphosphate-dependent enzymes.

    PubMed

    Mikolajek, R; Spiess, A C; Büchs, J

    2007-05-10

    A carboligation was investigated for the first time as an enzymatic gas phase reaction, where benzaldehyde was converted to benzoin using thiamine diphosphate (ThDP)-dependent enzymes, namely benzaldehyde lyase (BAL) and benzoylformate decarboxylase (BFD). The biocatalyst was immobilized per deposition on non-porous support. Some limitations of the gas/solid biocatalysis are discussed based on this carboligation and it is also demonstrated that the solid/gas system is an interesting tool for more volatile products. PMID:17399835

  4. 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...

  5. Probing the active center of benzaldehyde lyase with substitutions and the pseudo-substrate analog benzoylphosphonic acid methyl ester

    PubMed Central

    Brandt, Gabriel S.; Nemeria, Natalia; Chakraborty, Sumit; McLeish, Michael J.; Yep, Alejandra; Kenyon, George L.; Petsko, Gregory A.; Jordan, Frank; Ringe, Dagmar

    2009-01-01

    Benzaldehyde lyase (BAL) catalyzes the reversible cleavage of (R)-benzoin to benzaldehyde utilizing thiamin diphosphate and Mg2+ as cofactors. The enzyme is important for the chemoenzymatic synthesis of a wide range of compounds via its carboligation reaction mechanism. In addition to its principal functions, BAL can slowly decarboxylate aromatic amino acids such as benzoylformic acid. It is also intriguing mechanistically due to the paucity of acid-base residues at the active center that can participate in proton transfer steps thought to be necessary for these type of reactions. Here methyl benzoylphosphonate, an excellent electrostatic analog of benzoylformic acid, is used to probe the mechanism of benzaldehyde lyase. The structure of benzaldehyde lyase in its covalent complex with methyl benzoylphosphonate was determined to 2.49 Å (PDB ID: 3D7K) and represents the first structure of this enzyme with a compound bound in the active site. No large structural reorganization was detected compared to the complex of the enzyme with thiamin diphosphate. The configuration of the predecarboxylation thiamin-bound intermediate was clarified by the structure. Both spectroscopic and X-ray structural studies are consistent with inhibition resulting from the binding of MBP to the thiamin diphosphate in the active centers. We also delineated the role of His29 (the sole potential acid-base catalyst in the active site other than the highly conserved Glu50) and Trp163 in cofactor activation and catalysis by benzaldehyde lyase. PMID:18570438

  6. Charge transfer interactions and nonlinear optical properties of push pull chromophore benzaldehyde phenylhydrazone: A vibrational approach

    NASA Astrophysics Data System (ADS)

    Ravikumar, C.; Joe, I. Hubert; Jayakumar, V. S.

    2008-07-01

    FT Raman and IR spectra of the crystallized nonlinear optic (NLO) molecule, benzaldehyde phenylhydrazone (BPH) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational frequencies of BPH have been investigated with the help of B3LYP density functional theory (DFT) method. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). From the optimized geometry, the decrease in C-N bond length indicates the electron delocalization over the region of the molecule. The vibrational analysis confirm the charge transfer interaction between the phenyl rings through ?Cdbnd N-N? skeleton.

  7. Ligational behavior of thiosemicarbazone, semicarbazone and thiocarbohydrazone ligands towards VO(IV), Ce(III), Th(IV) and UO 2(VI) ions: Synthesis, structural characterization and biological studies

    NASA Astrophysics Data System (ADS)

    Shebl, M.; Seleem, H. S.; El-Shetary, B. A.

    2010-01-01

    Mono- and binuclear VO(IV), Ce(III), Th(IV) and UO 2(VI) complexes of thiosemicarbazone, semicarbazone and thiocarbohydrazone ligands derived from 4,6-diacetylresorcinol were synthesized. The structures of these complexes were elucidated by elemental analyses, IR, UV-vis, ESR, 1H NMR and mass spectra as well as conductivity and magnetic susceptibility measurements and thermal analyses. The thiosemicarbazone (H 4L 1) and the semicarbazone (H 4L 2) ligands behave as dibasic pentadentate ligands in case of VO(IV) and UO 2(VI) complexes, tribasic pentadentate in case of Ce(III) complexes and monobasic pentadentate in case of Th(IV) complexes. However, the thiocarbohydrazone ligand (H 3L 3) acts as a monobasic tridentate ligand in all complexes except the VO(IV) complex in which it acts as a dibasic tridentate ligand. The antibacterial and antifungal activities were also tested against Rhizobium bacteria and Fusarium-Oxysporium fungus. The metal complexes of H 4L 1 ligand showed a higher antibacterial effect than the free ligand while the other ligands (H 4L 2 and H 3L 3) showed a higher effect than their metal complexes. The antifungal effect of all metal complexes is lower than the free ligands.

  8. 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

  9. 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

  10. ANTIMICROBIAL ACTIVITIES OF PHENOLIC BENZALDEHYDES AND BENZOIC ACIDS AGAINST CAMPYLOBACTER JEJUNI, ESCHERICHIA COLI, LISTERIA MONOCYTOGENES, AND SALMONELLA ENTERICA

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We evaluated the bactericidal activities of 70 benzaldehydes and benzoic acids substituted in the benzene ring with zero, one, two, or three hydroxy (OH) and/or methoxy (OCH3) groups in a pH 7 buffer against Escherichia coli O157:H7, Salmonella enterica, Campylobacter jejuni, and Listeria monocytog...

  11. Iridium- and Rhodium-Catalyzed C-H Activation and Formyl Alkynylation of Benzaldehydes under Chelation-Assistance.

    PubMed

    Wang, He; Xie, Fang; Qi, Zisong; Li, Xingwei

    2015-02-20

    Mild and efficient synthesis of ynones via Ir(III)- and Rh(III)-catalyzed, chelation-assisted formyl C-H alkynylation of benzaldehydes has been achieved using hypervalent iodine-alkyne reagents. Rhodium and iridium catalysis exhibited complementary substrate scope. PMID:25650718

  12. 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.

  13. New organoruthenium complexes with bioactive thiosemicarbazones as co-ligands: potential anti-trypanosomal agents†

    PubMed Central

    Demoro, Bruno; Sarniguet, Cynthia; Sánchez-Delgado, Roberto; Rossi, Miriam; Liebowitz, Daniel; Caruso, Francesco; Olea-Azar, Claudio; Moreno, Virtudes; Medeiros, Andrea; Comini, Marcelo A.; Otero, Lucía; Gambino, Dinorah

    2012-01-01

    In the search for new therapeutic tools against neglected diseases produced by trypanosomatid parasites, and particularly against African Trypanosomiasis, whose etiological agent is Trypanosoma brucei, organoruthenium compounds with bioactive nitrofuran containing thiosemicarbazones (L) as co-ligands were obtained. Four ruthenium(ii) complexes with the formula [Ru2(p-cymene)2(L)2]X2, where X = Cl or PF6, were synthesized and the crystal structures of two of them were solved by X-ray diffraction methods. Two of the complexes show significant in vitro growth inhibition activity against Trypanosoma brucei brucei and are highly selective towards trypanosomal cells with respect to mammalian cells (J774 murine macrophages). These promising results make the title organoruthenium compounds good lead candidates for further developments towards potential antitrypanosomal organometallic drugs. PMID:22138896

  14. Derivatives

    NSDL National Science Digital Library

    Bourne, Murray

    Murray Bourne developed the Interactive Mathematics site while working as a mathematics lecturer at Ngee Ann Polytechnic in Singapore. The site contains numerous mathematics tutorials and resources for students and teachers alike. This specific page is focused on differentiation, or finding derivatives. Bourne walks users through an introduction to differentiation and limits, and then moves on to more specific applications like rate of change, derivatives of polynomials, and differentiating powers of a function. Each topic includes graphs and interactive materials designed to aid users in understanding the presented concepts. The information here is presented in a clear, straightforward manner that is appropriate for introductory and advanced calculus students alike.

  15. Derivate

    NSDL National Science Digital Library

    2010-01-01

    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.

  16. Solid-state proton transfer studies on phototautomerization of 1-phenyl-3-methyl-4-furoyl-5-pyrazolone 4-methyl thiosemicarbazone

    Microsoft Academic Search

    Tao Zhang; Guangfei Liu; Lang Liu; Dianzeng Jia; L. Zhang

    2006-01-01

    A novel keto–enol phototautomeric compound of 1-phenyl-3-methyl-4-(-furoyl)-5-pyrazolone 4-methyl thiosemicarbazone was found to undergo phototautomerization in the crystalline state. The reaction rate constant was studied based on the first-order kinetics curve. Crystal structural analysis and theoretical calculations show that the pyrazolone ring stabilizes in the keto form. The conclusion can be made that its phototautomerization in the crystalline state is associated

  17. Selective Inhibition by Benzaldehyde of the Uptake of Nucleosides and Sugar into Simian Virus 40-transformed Cells

    Microsoft Academic Search

    Masaaki Watanuki; Kenji Sakaguchi

    The effects of benzaldehyde, which has been found in figs as a carcinostatic element, were studied on the uptake of nucleosides, 2-deoxy-D-glucose, and amino acids into simian virus 40-transformed rat fibroblast cells (SV40-transformed cells) and into the parent normal cells (normal cells). Benzal dehyde, at the concentrations of 25 to 100 jug\\/ml at which the selective growth inhibition against SV40-transformed

  18. Assessment of cytotoxic and apoptotic effects of benzaldehyde using different assays.

    PubMed

    Ulker, Z; Alpsoy, L; Mihmanli, A

    2013-08-01

    Benzaldehyde (BA) occurs naturally in a number of plants, including cherry, fig and peach fruit and carnation flowers at therapeutic doses. In addition, it is used in cosmetics, personal care products and food as a preservative. In this study, we aimed to determine the cytotoxic and apoptotic effects of different concentrations of BA on cultured human lymphocytes using lactate dehydrogenase assay, cell proliferation (water-soluble tetrazolium salts-1) assay and terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) test (apoptotic test) as a group of cytotoxicity tests at 6th and 24th h on human lymphocyte cell culture. The cytotoxicity increased when cells were treated with 10, 25 and 50 ?g/mL concentrations of BA (p < 0.05). Moreover, treatment of the cells with the same concentrations significantly decreased the cell number at the 6th and 24th hours (p < 0.05). TUNEL assay results also show that the concentration of BA at 10, 25 and 50 ?g/mL caused DNA damage significantly (p < 0.05). According to our results, the toxic and genotoxic effects of BA have to be further evaluated before using in cosmetic and food products. PMID:23263855

  19. Synthesis, Characterization, Electrochemical Studies, and In Vitro Antibacterial Activity of Novel Thiosemicarbazone and Its Cu(II), Ni(II), and Co(II) Complexes

    PubMed Central

    Khan, Salman A.; Asiri, Abdullah M.; Al-Amry, Khalid; Malik, Maqsood Ahmad

    2014-01-01

    Metal complexes were prepared by the reaction of thiosemicarbazone with CuCl2, NiCl2, CoCl2, Cu(OAc)2, Ni(OAc)2, and Co(OAc)2. The thiosemicarbazone coordinates to metal through the thionic sulfur and the azomethine nitrogen. The thiosemicarbazone was obtained by the thiosemicarbazide with 3-acetyl-2,5-dimethylthiophene. The identities of these compounds were elucidated by IR, 1H, 13C-NMR, and GC-MS spectroscopic methods and elemental analyses. The antibacterial activity of these compounds was first tested in vitro by the disc diffusion assay against two Gram-positive and two Gram-negative bacteria, and then the minimum inhibitory concentration (MIC) was determined by using chloramphenicol as reference drug. The results showed that compound 1.1 is better inhibitor of both types of tested bacteria as compared to chloramphenicol. PMID:24523641

  20. Role of Metalation in the Topoisomerase II? Inhibition and Antiproliferation Activity of a Series of ?-Heterocyclic-N4-Substituted Thiosemicarbazones and Their Cu(II) Complexes

    PubMed Central

    Zeglis, Brian M.; Divilov, Vadim; Lewis, Jason S.

    2014-01-01

    The topoisomerase-II? inhibition and antiproliferative activity of ?-heterocyclic thiosemicarbazones and their corresponding copper(II) complexes have been investigated. The CuII(thiosemicarbazonato)Cl complexes were shown to catalytically inhibit topoisomerase-II? at concentrations (0.3–7.2 ?M) over an order of magnitude lower than their corresponding thiosemicarbazone ligands alone. The copper complexes were also shown to inhibit the proliferation of breast cancer cells expressing high levels of topoisomerase-II? (SK-BR-3) at lower concentrations than cells expressing lower levels of the enzyme (MCF-7). PMID:21391686

  1. Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data

    PubMed Central

    Arfan, Atef; Rukiah, Mwaffak

    2015-01-01

    Crotonaldehyde semicarbazone {systematic name: (E)-2-[(E)-but-2-en-1-yl­idene]hydrazinecarboxamide}, C5H9N3O, (I), and crotonaldehyde thio­semi­carba­zone {systematic name: (E)-2-[(E)-but-2-en-1-yldene]hydra­zinecarbo­­thio­amide}, C5H9N3S, (II), show the same E conformation around the imine C=N bond. Compounds (I) and (II) were obtained by the condensation of crotonaldehyde with semicarbazide hydro­chloride and thio­semicarbazide, respectively. Each mol­ecule has an intra­molecular N—H?N hydrogen bond, which generates an S(5) ring. In (I), the crotonaldehyde fragment is twisted by 2.59?(5)° from the semicarbazide mean plane, while in (II) the corresponding angle (with the thio­semicarbazide mean plane) is 9.12?(5)°. The crystal packing is different in the two compounds: in (I) inter­molecular N—H?O hydrogen bonds link the mol­ecules into layers parallel to the bc plane, while weak inter­molecular N—H?S hydrogen bonds in (II) link the mol­ecules into chains propagating in [110].

  2. Study on the Interaction between Isatin-?-Thiosemicarbazone and Calf Thymus DNA by Spectroscopic Techniques.

    PubMed

    Pakravan, Parvaneh; Masoudian, Shahla

    2015-01-01

    The interaction between isatin-?-thiosemicarbazone (IBT) and calf thymus DNA (CT-DNA) was investigated in physiological buffer (pH 7.4) using Neutral Red (NR) dye as a spectral probe by UV-Vis absorption and ?uorescence spectroscopy, as well as viscosity measurements. The IBT is stabilized by intercalation in the DNA (K [IBT -DNA] = 1.03×10(5) M(-1)), and displaces the NR dye from the NR-DNA complex. The binding constants Kf and number of binding sites (n?1) of IBT with DNA were obtained by fluorescence quenching method at different temperatures. Furthermore, the enthalpy and entropy of the reaction between IBT and CT-DNA showed that the reaction is enthalpy-favored and entropy-disfavored. The changes in the base stacking of CT-DNA upon the binding of IBT are reflected in the circular dichroic (CD) spectral studies. The viscosity increase of CT-DNA solution is another evidence to indicate that, IBT is able to be intercalated in the DNA base pairs. PMID:25561917

  3. Study on the Interaction between Isatin-?-Thiosemicarbazone and Calf Thymus DNA by Spectroscopic Techniques

    PubMed Central

    Pakravan, Parvaneh; Masoudian, Shahla

    2015-01-01

    The interaction between isatin-?-thiosemicarbazone (IBT) and calf thymus DNA (CT-DNA) was investigated in physiological buffer (pH 7.4) using Neutral Red (NR) dye as a spectral probe by UV–Vis absorption and ?uorescence spectroscopy, as well as viscosity measurements. The IBT is stabilized by intercalation in the DNA (K [IBT –DNA] = 1.03×105 M?1), and displaces the NR dye from the NR–DNA complex. The binding constants Kf and number of binding sites (n?1) of IBT with DNA were obtained by fluorescence quenching method at different temperatures. Furthermore, the enthalpy and entropy of the reaction between IBT and CT-DNA showed that the reaction is enthalpy-favored and entropy-disfavored. The changes in the base stacking of CT-DNA upon the binding of IBT are reflected in the circular dichroic (CD) spectral studies. The viscosity increase of CT-DNA solution is another evidence to indicate that, IBT is able to be intercalated in the DNA base pairs. PMID:25561917

  4. Flow Injection Analysis of Mercury Using 4-(Dimethylamino) Benzaldehyde-4-Ethylthiosemicarbazone as the Ionophore of a Coated Wire Electrode

    PubMed Central

    Tahir, Tara F.; Salhin, Abdussalam; Ghani, Sulaiman Ab

    2012-01-01

    A flow injection analysis (FIA) incorporating a thiosemicarbazone-based coated wire electrode (CWE) was developed method for the determination of mercury(II). A 0.1 M KNO3 carrier stream with pH between 1 and 5 and flow rate of 1 mL·min?1 were used as optimum parameters. A linear plot within the concentration range of 5 × 10?6–0.1 M Hg(II), slope of 27.8 ± 1 mV per decade and correlation coefficient (R2) of 0.984 were obtained. The system was successfully applied for the determination of mercury(II) in dental amalgam solutions and spiked environmental water samples. Highly reproducible measurements with relative standard deviation (RSD < 1% (n = 3)) were obtained, giving a typical throughput of 30 samples·h?1. PMID:23202196

  5. Binuclear ruthenium(III) bis(thiosemicarbazone) complexes: synthesis, spectral, electrochemical studies and catalytic oxidation of alcohol.

    PubMed

    Mohamed Subarkhan, M; Ramesh, R

    2015-03-01

    A new series of binuclear ruthenium(III) thiosemicarbazone complexes of general formula [(EPh3)2(X)2Ru-L-Ru(X)2(EPh3)2] (where E=P or As; X=Cl or Br; L=NS chelating bis(thiosemicarbazone ligands) has been synthesized and characterized by analytical and spectral (FT-IR, UV-Vis and EPR). IR spectra show that the thiosemicarbazones behave as monoanionic bidentate ligands coordinating through the azomethine nitrogen and thiolate sulphur. The electronic spectra of the complexes indicate that the presence of d-d and intense LMCT transitions in the visible region. The complexes are paramagnetic (low spin d(5)) in nature and all the complexes show rhombic distortion around the ruthenium ion with three different 'g' values (gx?gy?gz) at 77K. All the complexes are redox active and exhibit an irreversible metal centered redox processes (Ru(III)-Ru(III)/Ru(IV)-Ru(IV); Ru(III)-Ru(III)/Ru(II)-Ru(II)) within the potential range of 0.38-0.86V and -0.39 to -0.66 V respectively, versus Ag/AgCl. Further, the catalytic efficiency of one of the complexes [Ru2Cl2(AsPh3)4(L1)] (4) has been investigated in the case of oxidation of primary and secondary alcohols into their corresponding aldehydes and ketones in the presence of N-methylmorpholine-N-oxide(NMO) as co-oxidant. The formation of high valent Ru(V)O species is proposed as catalytic intermediate for the catalytic cycle. PMID:25498823

  6. Binuclear ruthenium(III) bis(thiosemicarbazone) complexes: Synthesis, spectral, electrochemical studies and catalytic oxidation of alcohol

    NASA Astrophysics Data System (ADS)

    Mohamed Subarkhan, M.; Ramesh, R.

    2015-03-01

    A new series of binuclear ruthenium(III) thiosemicarbazone complexes of general formula [(EPh3)2(X)2Ru-L-Ru(X)2(EPh3)2] (where E = P or As; X = Cl or Br; L = NS chelating bis(thiosemicarbazone ligands) has been synthesized and characterized by analytical and spectral (FT-IR, UV-Vis and EPR). IR spectra show that the thiosemicarbazones behave as monoanionic bidentate ligands coordinating through the azomethine nitrogen and thiolate sulphur. The electronic spectra of the complexes indicate that the presence of d-d and intense LMCT transitions in the visible region. The complexes are paramagnetic (low spin d5) in nature and all the complexes show rhombic distortion around the ruthenium ion with three different 'g' values (gx ? gy ? gz) at 77 K. All the complexes are redox active and exhibit an irreversible metal centered redox processes (RuIII-RuIII/RuIV-RuIV; RuIII-RuIII/RuII-RuII) within the potential range of 0.38-0.86 V and -0.39 to -0.66 V respectively, versus Ag/AgCl. Further, the catalytic efficiency of one of the complexes [Ru2Cl2(AsPh3)4(L1)] (4) has been investigated in the case of oxidation of primary and secondary alcohols into their corresponding aldehydes and ketones in the presence of N-methylmorpholine-N-oxide(NMO) as co-oxidant. The formation of high valent RuVdbnd O species is proposed as catalytic intermediate for the catalytic cycle.

  7. Improved antiparasitic activity by incorporation of organosilane entities into half-sandwich ruthenium(II) and rhodium(III) thiosemicarbazone complexes.

    PubMed

    Adams, Muneebah; de Kock, Carmen; Smith, Peter J; Land, Kirkwood M; Liu, Nicole; Hopper, Melissa; Hsiao, Allyson; Burgoyne, Andrew R; Stringer, Tameryn; Meyer, Mervin; Wiesner, Lubbe; Chibale, Kelly; Smith, Gregory S

    2015-02-01

    A series of ferrocenyl- and aryl-functionalised organosilane thiosemicarbazone compounds was obtained via a nucleophilic substitution reaction with an amine-terminated organosilane. The thiosemicarbazone (TSC) ligands were further reacted with either a ruthenium dimer [(?(6-i)PrC6H4Me)Ru(?-Cl)Cl]2 or a rhodium dimer [(Cp*)Rh(?-Cl)Cl]2 to yield a series of cationic mono- and binuclear complexes. The thiosemicarbazone ligands, as well as their metal complexes, were characterised using NMR and IR spectroscopy, and mass spectrometry. The molecular structure of the binuclear ruthenium(ii) complex was determined by single-crystal X-ray diffraction analysis. The thiosemicarbazones and their complexes were evaluated for their in vitro antiplasmodial activities against the chloroquine-sensitive (NF54) and chloroquine-resistant (Dd2) Plasmodium falciparum strains, displaying activities in the low micromolar range. Selected compounds were screened for potential ?-haematin inhibition activity, and it was found that two Rh(iii) complexes exhibited moderate to good inhibition. Furthermore, the compounds were screened for their antitrichomonal activities against the G3 Trichomonas vaginalis strain, revealing a higher percentage of growth inhibition for the ruthenium and rhodium complexes over their corresponding ligand. PMID:25559246

  8. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, and 1H) and HOMO-LUMO analysis of 2,4-dimethoxy benzaldehyde (DMBA) and 4-methoxy-3-methyl benzaldehyde (MMBA)

    NASA Astrophysics Data System (ADS)

    KrishnaKumar, V.; Barathi, D.; Mathammal, R.

    2013-03-01

    The present communication is aimed at comparing the molecular structural properties, vibrational and energetic data of 2,4-dimethoxy benzaldehyde and for 4-methoxy-3-methyl benzaldehyde, due to their commercial importance. The ground state properties of the title molecules have been calculated employing DFT/B3LYP level of theory using the 6-31G (d) basis set. In order to obtain a complete description of molecular dynamics, vibrational wavenumber calculation along with the normal mode analysis, have been carried out at the DFT level. The calculated spectra of both the molecules agree well with the experimental data. The 1H and 13C NMR spectra have been simulated using the gauge independent atomic orbital (GIAO) method. The electronic properties, such as HOMO, LUMO energies, absolute electronegativity X and absolute hardness ? were performed by DFT approach. The first order hyperpolarizability (?o) of these novel molecular system and related properties (?, ?o and ??) of DMBA and MMBA are calculated using DFT/6-31G (d) method on the finite-field approach.

  9. Electrical Wiring of the Aldehyde Oxidoreductase PaoABC with a Polymer Containing Osmium Redox Centers: Biosensors for Benzaldehyde and GABA

    PubMed Central

    Badalyan, Artavazd; Dierich, Marlen; Stiba, Konstanze; Schwuchow, Viola; Leimkühler, Silke; Wollenberger, Ulla

    2014-01-01

    Biosensors for the detection of benzaldehyde and ??aminobutyric acid (GABA) are reported using aldehyde oxidoreductase PaoABC from Escherichia coli immobilized in a polymer containing bound low potential osmium redox complexes. The electrically connected enzyme already electrooxidizes benzaldehyde at potentials below ?0.15 V (vs. Ag|AgCl, 1 M KCl). The pH-dependence of benzaldehyde oxidation can be strongly influenced by the ionic strength. The effect is similar with the soluble osmium redox complex and therefore indicates a clear electrostatic effect on the bioelectrocatalytic efficiency of PaoABC in the osmium containing redox polymer. At lower ionic strength, the pH-optimum is high and can be switched to low pH-values at high ionic strength. This offers biosensing at high and low pH-values. A “reagentless” biosensor has been formed with enzyme wired onto a screen-printed electrode in a flow cell device. The response time to addition of benzaldehyde is 30 s, and the measuring range is between 10–150 µM and the detection limit of 5 µM (signal to noise ratio 3:1) of benzaldehyde. The relative standard deviation in a series (n = 13) for 200 µM benzaldehyde is 1.9%. For the biosensor, a response to succinic semialdehyde was also identified. Based on this response and the ability to work at high pH a biosensor for GABA is proposed by coimmobilizing GABA-aminotransferase (GABA-T) and PaoABC in the osmium containing redox polymer. PMID:25587431

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

    PubMed Central

    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/cm3) 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/cm3), 2,4–dimethylbenzaldehyde (0.66, 0.59, and 0.95??g/cm3), 2,5–dimethylbenzaldehyde (0.65, 0.68, and 0.88??g/cm3), 2–methylbenzaldehyde (0.95, 0.87, and 1.28??g/cm3), 3–methylbenzaldehyde (0.99, 0.93, and 1.38??g/cm3), 4–methylbenzaldehyde (1.17, 1.15, and 3.67??g/cm3), and M. officinalis oil (7.05, 7.00, and 19.70??g/cm3). 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

  11. Synthesis, spectroscopic characterization, structural studies and antibacterial and antitumor activities of diorganotin complexes with 3-methoxysalicylaldehyde thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Khandani, Marzieh; Sedaghat, Tahereh; Erfani, Nasrollah; Haghshenas, Mohammad Reza; Khavasi, Hamid Reza

    2013-04-01

    Three organotin(IV) complexes, Ph2Sn(mstsc) (1), Me2Sn(mstsc) (2) and Bu2Sn(mstsc) (3), have been synthesized from reaction of R2SnCl2 (R = Ph, Me and Bu) with 3-methoxysalicylaldehyde thiosemicarbazone (H2mstsc). The synthesized complexes have been characterized by elemental analysis and FT-IR, 1H, 13C and 119Sn NMR spectroscopy. The structures of 2 and 3 have been also confirmed by X-ray crystallography. On the basis of spectral and structural data thiosemicarbazone acts as a tridentate dianionic ligand and coordinates to tin through phenolic oxygen, the azomethine nitrogen and thiolate sulfur atoms. The metal coordination geometry for 2 and 3 is described as distorted square pyramid and the crystal lattices are stabilized by intermolecular hydrogen bands. On the basis of 119Sn NMR data, coordination number of tin retains five in solution. The in vitro antibacterial activity of ligand and its complexes has been evaluated against one Gram-positive and three Gram-negative bacteria. Complex 2 exhibited good activity along with the standard antibacterial drugs. The in vitro cytotoxicities of the synthesized compounds against Jurkat cells were evaluated by the standard WST-1 assay. The activity decreases in the order 3 > 1 > 2 = H2mstsc.

  12. Interaction of Triapine and related thiosemicarbazones with iron(III)/(II) and gallium(III): a comparative solution equilibrium study†

    PubMed Central

    Enyedy, Éva A.; Primik, Michael F.; Kowol, Christian R.; Arion, Vladimir B.; Kiss, Tamás; Keppler, Bernhard K.

    2012-01-01

    Stoichiometry and stability of GaIII, FeIII, FeII complexes of Triapine and five related ?-N heterocyclic thiosemicarbazones with potential antitumor activity have been determined by pH-potentiometry, UV-vis spectrophotometry, 1H NMR spectroscopy, and spectrofluorimetry in aqueous solution (with 30% DMSO), together with the characterization of the proton dissociation processes. Additionally, the redox properties of the iron complexes were studied by cyclic voltammetry at various pH values. Formation of high stability bis-ligand complexes was found in all cases, which are predominant at physiological pH with FeIII/FeII, whilst only at the acidic pH range with GaIII. The results show that among the thiosemicarbazones with various substituents the N-terminal dimethylation does not exert a measurable effect on the redox potential, but has the highest impact on the stability of the complexes as well as the cytotoxicity, especially in the absence of a pyridine-NH2 group in the molecule. In addition the fluorescence properties of the ligands in aqueous solution and their changes caused by GaIII were studied. PMID:21523301

  13. 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

  14. 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)]·C2 H5 OH·(1), [Cu(L)2 ]·H2 O (2), [Cu(L)(Br)]·H2 O·CH3 OH (3), [Cu(L)(NO3 )]·2C2 H5 OH (4), [VO2 (L)]·2H2 O (5), [Ni(L)2 ]·H2 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

  15. 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

  16. Lewis acid-catalyzed redox-neutral amination of 2-(3-pyrroline-1-yl)benzaldehydes via intramolecular [1,5]-hydride shift/isomerization reaction

    PubMed Central

    Jiang, Chun-Huan; Lei, Xiantao; Zhen, Le; Du, Hong-Jin; Wen, Xiaoan

    2014-01-01

    Summary Lewis acid-catalyzed redox-neutral amination of 2-(3-pyrroline-1-yl)benzaldehydes via intramolcular [1,5]-hydride shift/isomerization reaction has been realized, using the inherent reducing power of 3-pyrrolines. A series of N-arylpyrrole containing amines are obtained in high yields. PMID:25550755

  17. 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

  18. Substituted benzaldehydes designed to increase the oxygen affinity of human haemoglobin and inhibit the sickling of sickle erythrocytes.

    PubMed

    Beddell, C R; Goodford, P J; Kneen, G; White, R D; Wilkinson, S; Wootton, R

    1984-06-01

    Substituted benzaldehydes have been designed to bind preferentially to the oxy conformation of human haemoglobin at a site between the amino terminal residues of the alpha-subunits. Such compounds should stabilize the oxygenated form of haemoglobin and thereby increase its oxygen affinity. The compounds produce the expected effect, left-shifting the oxygen saturation curve of dilute haemoglobin solutions and of whole blood, although the binding pattern to haemoglobin is more complex than envisaged by the design hypothesis. The predicted best compound is also a potent inhibitor, at low oxygen pressure, of the sickling of erythrocytes from patients homozygous for sickle cell disease, and may prove to be a clinically useful anti-sickling agent. PMID:6733364

  19. Synthesis, stereochemical, structural and biological studies of some 2,6-diarylpiperidin-4-one N(4?)-cyclohexyl thiosemicarbazones

    NASA Astrophysics Data System (ADS)

    Sethukumar, A.; Udhaya Kumar, C.; Agilandeshwari, R.; Arul Prakasam, B.

    2013-09-01

    A new series of 2,6-diarylpiperidin-4-one N(4')-cyclohexyl thiosemicarbazones (13-23) were synthesized by corresponding 2,6-diarylpiperidin-4-ones (1-11) reaction with cyclohexyl thiosemicarbazide (12). The chemical structures were confirmed by means of IR, one and two dimensional NMR, Mass spectra and single crystal X-ray diffraction analysis. Compounds 13-23, exist in chair conformation with equatorial orientation of all the substituents at piperidine ring except the methyl group at C-5 of compounds 21-23 oriented at axial disposition to stabilize the chair conformation. Single crystal X-ray structural analysis of compound 18, evidences that the configuration about Cdbnd N double bond is syn to C-5 carbon (E-form). All the synthesized compounds were screened their biological activity.

  20. 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.

  1. PAN811 (3Aminopyridine2-carboxaldehyde thiosemicarbazone), a novel neuroprotectant, elicits its function in primary neuronal cultures by up-regulating Bcl2 expression

    Microsoft Academic Search

    R.-W. Chen; C. Yao; X. C. M. Lu; Z.-G. Jiang; R. Whipple; Z. Liao; H. A. Ghanbari; B. Almassian; F. C. Tortella; J. R. Dave

    2005-01-01

    Neurotoxicity in primary neurons was induced using hypoxia\\/hypoglycemia (H\\/H), veratridine (10?M), staurosporine (1?M) or glutamate (100?M), which resulted in 72%, 67%, 75% and 66% neuronal injury, respectively. 3-Aminopyridine-2-carboxaldehyde thiosemicarbazone (PAN-811; 10?M; Panacea Pharmaceuticals, Gaithersburg, MD) pretreatment for 24 h provided maximal neuroprotection of 89%, 42%, 47% and 89% against these toxicities, respectively. Glutamate or H\\/H treatment of cells increased cytosolic

  2. 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

  3. Electronic spectra of protonated benzaldehyde clusters with Ar and N2: effect of ??* excitation on the intermolecular potential.

    PubMed

    Patzer, Alexander; Zimmermann, Max; Alata, Ivan; Jouvet, Christophe; Dopfer, Otto

    2010-12-01

    Electronic spectra of the S(1)?S(0) transition of dimers of protonated benzaldehyde (BZH(+)) with Ar and N(2) are recorded by resonance-enhanced photodissociation in a tandem mass spectrometer. The S(1) origins observed are shifted to higher frequency upon complexation with Ar (?S(1) = 300 cm(-1)) and N(2) (?S(1) = 628 cm(-1)). Ab initio calculations at the CC2/aug-cc-pVDZ level suggest an assignment to H-bonded dimers of L = Ar and N(2) binding to the cis isomer of O-protonated BZH(+), yielding values of ?S(1) = 242 and 588 cm(-1) for cis-BZH(+)-L(H). Electronic ??* excitation results in a substantial increase of the proton affinity of BZH(+), which in turn destabilizes the intermolecular H-bonds to the inert ligands by 35%. The drastic effects of electronic ??* excitation on the geometric and electronic structure as well as the strength and anisotropy of the intermolecular potential (H-bonding and ?-bonding) are investigated. PMID:21069976

  4. Effect of the substituted benzaldehyde 12C79 on Cl--dependent K+ influx in human red blood cells.

    PubMed

    Gibson, J S; Speake, P F; Ellory, J C

    1999-02-01

    Ouabain- and bumetanide-resistant K+ influx, and haemoglobin (Hb) O2 saturation, were measured in HbA red cells over a range of oxygen tensions (PO2 values) in the presence and absence of 12C79 (5 mM), a substituted benzaldehyde which increases the O2 affinity of Hb. PO2 values for half-maximal O2 saturation declined from 29+/-2 mmHg (mean +/-SEM, n=3) in control cells to 7+/-1 mmHg with 12C79. In control cells, Cl--dependent K+ influx (indicative of KCl cotransport activity) was fully O2 dependent, i.e. inactive at low PO2 values. By contrast, in the presence of 12C79, KCl cotransport was largely resistant to inactivation at low PO2 values. Substantial cotransport activity was still present (>60% of that at high PO2 values) in N2, although O2 saturation was low (about 10%). In all cases, Cl--independent K+ influxes were low [<0.25 mmol (l cells h)-1] and unaffected by PO2 or 12C79. The significance of these results is discussed. PMID:9914409

  5. Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: A comparison with benzaldehyde

    SciTech Connect

    Kus, Nihal [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Department of Physics, Anadolu University, 26470 Eskisehir (Turkey); Sharma, Archna; Reva, Igor; Fausto, Rui [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Lapinski, Leszek [Institute of Physics, Polish Academy of Sciences, Warsaw (Poland)

    2012-04-14

    Different patterns of photochemical behavior were observed for 4-methoxybenzaldehyde (p-anisaldehyde) isolated in xenon and in argon matrices. Monomers of the compound isolated in solid Xe decarbonylate upon middle ultraviolet irradiation, yielding methoxybenzene (anisole), and CO. On the other hand, p-anisaldehyde isolated in an Ar matrix and subjected to identical irradiation, predominantly isomerizes to the closed-ring isomeric ketene (4-methoxycyclohexa-2,4-dien-1-ylidene) methanone. Experimental detection of a closed-ring ketene photoproduct, generated from an aromatic aldehyde, constitutes a rare observation. The difference between the patterns of photochemical transformations of p-anisaldehyde isolated in argon and xenon environments can be attributed to the external heavy-atom effect, where xenon enhances the rate of intersystem crossing from the singlet to the triplet manifold in which decarbonylation (via p-methoxybenzoyl radical) takes place. The parent compound, benzaldehyde, decarbonylates (to benzene + CO) when subjected to middle ultraviolet irradiation in both argon and xenon matrices. This demonstrates the role of the methoxy p-anisaldehyde substituent in activation of the reaction channel leading to the formation of the ketene photoproduct.

  6. Short-step synthesis of tamoxifen and its derivatives via the three-component coupling reaction and migration of the double bond

    Microsoft Academic Search

    Isamu Shiina; Masahiko Suzuki; Kazutoshi Yokoyama

    2004-01-01

    The anti-tumor agent, tamoxifen, is easily synthesized by the successive allylation of benzaldehyde and the Friedel–Crafts alkylation reaction of anisole with the intermediary homoallyl silyl ethers, followed by the migration of the double bond to form the desired tetra-substituted ethylenes. Several derivatives of tamoxifen are also produced according to a similar synthetic strategy.

  7. 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.

  8. Synthesis and evaluation of simple naked-eye colorimetric chemosensors for anions based on azo dye-thiosemicarbazones.

    PubMed

    Radchatawedchakoon, Widchaya; Sangsuwan, Withsakorn; Kruanetr, Senee; Sakee, Uthai

    2014-01-01

    A series of novel, highly selective azo dye-thiosemicarbazones based anion sensors (3e-f) have been synthesized from the condensation reaction between thiosemicarbazide and six different azo salicylaldehydes. The structure of the sensors was confirmed by spectroscopic methods. The selectivity and sensitivity in the recognition for acetate anion over other anions such as fluoride, chloride, iodide and dihydrogenphosphate anions were determined by naked-eyes and UV-vis spectra. The color of the solution containing sensor had an obvious change from light yellow to orange only after the addition of acetate anion in aqueous solution (water/dimethylsulfoxide, 7:3, v/v) while other anions did not cause obvious color change. The anion recognition property of the receptor via proton-transfer is monitored by UV-vis titration and (1)H NMR spectroscopy. Under condition in aqueous solution of sensor 3e (water/dimethylsulfoxide, 7:3, v/v), linearity range for the quantification of acetate anion was 1-22 ?M and limit of detection (LOD) of acetate anion was 0.71 ?M. PMID:24263127

  9. Platinum(II) and Palladium(II) Complexes of Pyridine-2-Carbaldehyde Thiosemicarbazone as Alternative Antiherpes Simplex Virus Agents

    PubMed Central

    Kovala-Demertzi, D.; Varadinova, T.; Genova, P.; Souza, P.; Demertzis, M. A.

    2007-01-01

    The cytotoxicity and the antivirus activity of Pd(II) and Pt(II) complexes with pyridine-2-carbaldehyde thiosemicarbazone (HFoTsc) against HSV replication were evaluated on four HSV strains—two wt strains Victoria (HSV-1) and BJA (HSV-2) and two ACVR mutants with different tk gene mutations R-100 (TKA, HSV-1) and PU (TKN, HSV-2). The experiments were performed on continuous MDBK cells and four HSV 1 and HSV 2 strains were used, two sensitive to acyclovir and two resistant mutants. The five complexes of HFoTsc, [Pt(FoTsc)Cl], [Pt(FoTsc)(H2FoTsc)]Cl2, [Pt(FoTsc)2], [Pd(FoTsc)(H2FoTsc)]Cl2, and [Pd(FoTsc)2], were found to be effective inhibitors of HSV replication. The most promising, active, and selective anti-HSV agent was found to be complex [Pt(FoTsc)(H2FoTsc)]Cl2. This complex could be useful in the treatment of HSV infections, since it is resistant to ACV mutants. PCR study of immediate early 300 bp ReIV Us1 region reveals that the complex [Pt(FoTsc)(H2FoTsc)]Cl2 specifically suppressed wt HSV-1 genome 2 hours after the infection, not inducing apoptosis/necrosis on the 8 hours after virus infection. The target was found to be most probably the viral, instead of the host cell DNA. PMID:17541481

  10. SAR of Cu (II) thiosemicarbazone complexes as hypoxic imaging agents: MM3 analysis and prediction of biologic properties.

    PubMed

    Singh, Sweta; Tiwari, Anjani K; Ojha, Himanshu; Kumar, Nitin; Singh, Bachcha; Mishra, Anil K

    2010-02-01

    Copper(II) bis(thiosemicarbazone) are very useful for blood flow and hypoxic imaging. The aim of this study was to identify structure-activity relationships (SARs) within a series of analogues with different substitution patterns in the ligands, in order to design improved hypoxia imaging agents and elucidate hypoxia selectivity mechanisms. Genetic algorithms (GAs) were used to develop specific copper metal-ligand force field parameters for the MM3 force-field calculations. These new parameters produced results in good agreement with experiment and previously reported copper metal-ligand parameters. A successful quantitative SAR (QSAR) for predicting the several classes of Cu(II)-chelating ligands was built using a training set of 21 Cu(II) complexes. The QSAR exhibited a correlation between the predicted and experimental test set. The QSAR preformed with great accuracy; r(2) = 0.95 and q(2) = 0.90 utilizing a leave-one-out cross-validation with multiple linear regression analysis to find correlation between different calculated molecular descriptors of these complexes. The final QSAR mathematical models were found as the following: Log P = {3.01698 (+/-0.0590)} - LUMO {0.1248 (+/-0.068)} + MR {0.3219 (+/-0.086)} n = 21 |r| = 0.972 s = 0.188 F = 98.102 The resulting models could act as an efficient strategy for estimating the hypoxic conditions through imaging and provide some insights into the structural features related to the biological activity of these compounds. PMID:20187804

  11. Structure-activity relationships of mononuclear metal-thiosemicarbazone complexes endowed with potent antiplasmodial and antiamoebic activities.

    PubMed

    Bahl, Deepa; Athar, Fareeda; Soares, Milena Botelho Pereira; de Sá, Matheus Santos; Moreira, Diogo Rodrigo Magalhães; Srivastava, Rajendra Mohan; Leite, Ana Cristina Lima; Azam, Amir

    2010-09-15

    A useful concept for the rational design of antiparasitic drug candidates is the complexation of bioactive ligands with transition metals. In view of this, an investigation was conducted into a new set of metal complexes as potential antiplasmodium and antiamoebic agents, in order to examine the importance of metallic atoms, as well as the kind of sphere of co-ordination, in these biological properties. Four functionalized furyl-thiosemicarbazones (NT1-4) treated with divalent metals (Cu, Co, Pt, and Pd) to form the mononuclear metallic complexes of formula [M(L)2Cl2] or [M(L)Cl2] were examined. The pharmacological characterization, including assays against Plasmodium falciparum and Entamoeba histolytica, cytotoxicity to mammalian cells, and interaction with pBR 322 plasmid DNA was performed. Structure-activity relationship data revealed that the metallic complexation plays an essential role in antiprotozoal activity, rather than the simple presence of the ligand or metal alone. Important steps towards identification of novel antiplasmodium (NT1Cu, IC50 of 4.6 microM) and antiamoebic (NT2Pd, IC50 of 0.6 microM) drug prototypes were achieved. Of particular relevance to this work, these prototypes were able to reduce the proliferation of these parasites at concentrations that are not cytotoxic to mammalian cells. PMID:20719524

  12. Spectroscopic and biological approach of Ni(II), Cu(II) and Co(II) complexes of 4-methoxy/ethoxybenzaldehyde thiosemicarbazone glyoxime.

    PubMed

    Babahan, Ilknur; Eyduran, Fatih; Coban, Esin Poyrazoglu; Orhan, Nil; Kazar, Didem; Biyik, Halil

    2014-01-01

    Two novel vicinal dioxime ligands containing (4-methoxybenzaldehyde thiosemicarbazone glyoxime (L(1)H2) or 4-ethoxybenzaldehyde thiosemicarbazone glyoxime (L(2)H2)) thiosemicarbazone units were synthesized and characterized using (1)H NMR, (13)C NMR, HMQC, MS, infrared and, UV-VIS. spectroscopy, elemental analysis, and magnetic susceptibility measurements. Mononuclear nickel(II), copper(II) and cobalt(II) complexes with a metal:ligand ratio of 1:2 for L(1)H2 and L(2)H2 were also synthesized. The effect of pH and solvent on the absorption spectra of both ligands and complexes was determined. IR spectra show that the ligands act in a bidentate manner and coordinates N4 donor groups of the ligands to Ni(II), Cu(II) and Co(II) ions. The detection of H-bonding (O-H?O) in the [M(LH)2] metal complexes by IR spectra supported the square-planar MN4 coordination of mononuclear complexes. The antimicrobial activities of compounds L(1)H2, L(2)H2, and their Ni(II), Cu(II) and Co(II) complexes were evaluated using the disc diffusion method against 12 bacteria and 4 yeasts. The minimal inhibitory concentrations (MICs) against 7 bacteria and 3 yeasts were also determined. Among the test compounds attempted, L(1)H2, [Ni(L1H)2], [Cu(L1H)2], L2H2, [Ni(L2H)2] and [Cu(L2H)2] showed some activities against certain Gram-positive bacteria and some of the yeasts tested. PMID:24239764

  13. Synthesis, characterization antibacterial and antiproliferative activity of novel Cu(II) and Pd(II) complexes with 2-hydroxy-8-R-tricyclo[7.3.1.0.(2,7)]tridecane-13-one thiosemicarbazone.

    PubMed

    Rosu, Tudor; Pahontu, Elena; Pasculescu, Simona; Georgescu, Rodica; Stanica, Nicolae; Curaj, Adelina; Popescu, Alexandra; Leabu, Mircea

    2010-04-01

    Synthesis and biological activity investigation of complex compounds of Cu(II) are challenging issues because of the metal is not a xenobiotic one and the activity of ligands could be modulated by complexation. Complex combinations of Cu(II) and Pd(II) with thiosemicarbazone derivatives of 2-hydroxy-8-R-tricyclo[7.3.1.0.(2,7)]tridecane-13-one (where R=C(3)H(7), C(4)H(3)O) were synthesized. The characterization of the ligands and the newly formed compounds was done by (1)H NMR, (13)C NMR, UV-vis, IR, ESR spectroscopy, elemental analysis, molar electric conductibility and thermal studies. Experiments performed to identify the structures proved that the ligands coordinate to metal ions in different ways - neutral bidentate or mononegative bidentate. Also, if copper(II) acetate, copper(II) nitrate, copper(II) chloride and copper(II) thiocyanate were used, the ligands coordinated in a mononegative bidentate fashion. If copper(II) sulfate was used, the ligands coordinated in a neutral bidentate fashion. The biological activity for the copper(II) synthesized compounds was assessed in terms of antibacterial or antiproliferative activity. The antibacterial activity of the complexes against Staphylococcus aureus var. Oxford 6538, Escherichia coli ATCC 10536, Klebsielle pneumoniae ATCC 100131 and Candida albicans ATCC 10231 strains was studied and compared with that of free ligands. The effect of complex compounds on the proliferation of HeLa cells was tested. For all tested complexes an antiproliferative activity was noted at concentrations higher than 1 microM, but lower than 10 microM. Therefore, complex compounds of copper(II) were synthesized, structurally characterized and tested for biological activity, proving both antibacterial and antiproliferative activity. PMID:20096975

  14. Heat of Mixing and Solution of Cyclohexane C6H12 + C7H6O Benzaldehyde (HMSD1111, LB3803_H)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Heat of Mixing and Solution of Cyclohexane C6H12 + C7H6O Benzaldehyde (HMSD1111, LB3803_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  15. 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

  16. Radiochemotherapy plus 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP, NSC #663249) in Advanced-Stage Cervical and Vaginal Cancers

    PubMed Central

    Kunos, Charles A.; Radivoyevitch, Tomas; Waggoner, Steven; Debernardo, Robert; Zanotti, Kristine; Resnick, Kimberly; Fusco, Nancy; Adams, Ramon; Redline, Raymond; Faulhaber, Peter; Dowlati, Afshin

    2013-01-01

    Objective Cervical and vaginal cancers have virally-mediated or mutated defects in DNA damage repair responses, making these cancers sensible targets for ribonucleotide reductase inhibition during radiochemotherapy. Methods We conducted a phase II study evaluating 3x weekly 2-hour intravenous 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP, 25 mg/m2) co-administered with 1x weekly intravenous cisplatin (40 mg/m2) and daily pelvic radiation (45 Gy) in women with stage IB2-IVB cervical (n = 22) or stage II-IV vaginal (n = 3) cancers. Brachytherapy followed (40 Gy). Toxicity was monitored by common terminology criteria for adverse events (version 3.0). The primary end point of response was assessed by 3-month posttherapy 2-[18F] fluoro-2-deoxy-D-glucose positron emission tomography (PET/CT) and clinical examination. Results 3-AP radiochemotherapy achieved clinical responses in 24 (96% [95% confidence interval: 80-99%]) of 25 patients (median follow-up 20 months, range 2-35 months). 23 (96% [95% confidence interval: 80-99%]) of 24 patients had 3-month posttherapy PET/CT scans that recorded metabolic activity in the cervix or vagina equal or less than that of the cardiac blood pool, suggesting complete metabolic responses. The most frequent 3-AP radiochemotherapy-related adverse events included fatigue, nausea, diarrhea, and reversible hematological and electrolyte abnormalities. Conclusions The addition of 3-AP to cisplatin radiochemotherapy was tolerable and produced high rates of clinical and metabolic responses in women with cervical and vaginal cancers. Future randomized phase II and III clinical trials of 3-AP radiochemotherapy are warranted. PMID:23603372

  17. Structural, spectral, electrochemistry, thermal properties and theoretical studies on 4-[N, N-di(4-tolyl)amino] benzaldehyde-2-chloro benzoylhydrazone

    NASA Astrophysics Data System (ADS)

    Lizeng, Liu; Wei, Li; Xianfang, Meng; Dongzhi, Liu; Gongfeng, Xu; Zhengchen, Bai

    2014-11-01

    The title compound 4-[N, N-di(4-tolyl)amino] benzaldehyde-2-chloro benzoylhydrazone (C28H24ClN3O, Mr = 453.96) was synthesized by the reaction of 4-[N, N-di(4-tolyl)amino] benzaldehyde with 2-chlorobenzohydrazide, and its structure was characterized by IR, 1H NMR, 13H NMR, high-resolution mass spectrometry and single-crystal X-ray diffraction. The crystal belongs to Monoclinic, space group P2(1)/n with a = 12.626(3), b = 12.609(3), c = 15.837(3) Å, ? = 90.00(3)°, Z = 5, V = 2512.5(9) Å3, Mr = 453.95, Dc = 1.280 g/cm3, ? = 0.183 mm-1, F(0 0 0) = 1024, R = 0.0432 and wR = 0.1087. X-ray analysis revealed that one of the benzene ring and acylhydrazone were essentially planar, the 2-chloro benzene ring and amide were non-planar, the torsion angles C(1)sbnd C(6)sbnd C(7)sbnd O(1) and C(5)sbnd C(6)sbnd C(7)sbnd O(1) are 61.4(5)° and -114.4(4)°. The thermal stability studies indicate that the title compound is stable up to 341.1 °C. The spectral, electrochemistry properties and theoretical studies show that the title compound is a good candidate for the charge-transporting materials.

  18. 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...

  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. Solid phase extraction of trace metals from environmental samples using Amberlite XAD-7 loaded with 2-hydroxy-propiophenone-4-phenyl-3-thiosemicarbazone and determination by inductively coupled plasma–atomic emission spectrometry

    Microsoft Academic Search

    S. Satya Veni; M. Madhava Rao; G. P. Chandra Rao; K. Seshaiah

    2007-01-01

    A method for the solid phase extraction of trace metals, namely Co, Cu, Pb, Ni and Zn, from environmental and biological samples using column Amberlite XAD-7 loaded with 2-hydroxy-propiophenone-4-phenyl-3-thiosemicarbazone (HPPPTSC) and determination by inductively coupled spectrometry (ICP–AES) has been developed. The reagent has the capacity to form chelate complexes with the metals because of three binding sites in the reagent

  2. Simultaneous determination of the novel thiosemicarbazone anti-cancer agent, Bp4eT, and its main phase I metabolites in plasma: application to a pilot pharmacokinetic study in rats.

    PubMed

    Stariat, Ján; Suprunová, Vlasta; Roh, Jaroslav; Šesták, Vít; Eisner, Tomáš; Filipský, Tomáš; Mlad?nka, P?emysl; Nobilis, Milan; Šim?nek, Tomáš; Klimeš, Ji?í; Kalinowski, Danuta S; Richardson, Des R; Kova?íková, Petra

    2014-05-01

    Novel thiosemicarbazone metal chelators are extensively studied anti-cancer agents with marked and selective activity against a wide variety of cancer cells, as well as human tumor xenografts in mice. This study describes the first validated LC-MS/MS method for the simultaneous quantification of 2-benzoylpyridine 4-ethyl-3-thiosemicarbazone (Bp4eT) and its main metabolites (E/Z isomers of the semicarbazone structure, M1-E and M1-Z, and the amidrazone metabolite, M2) in plasma. Separation was achieved using a C18 column with ammonium formate/acetonitrile mixture as the mobile phase. Plasma samples were treated using solid-phase extraction on 96-well plates. This method was validated over the concentration range of 0.18-2.80 ?M for Bp4eT, 0.02-0.37 ?M for both M1-E and M1-Z, and 0.10-1.60 ?M for M2. This methodology was applied to the analysis of samples from in vivo experiments, allowing for the concentration-time profile to be simultaneously assessed for the parent drug and its metabolites. The current study addresses the lack of knowledge regarding the quantitative analysis of thiosemicarbazone anti-cancer drugs and their metabolites in plasma and provides the first pharmacokinetic data on a lead compound of this class. PMID:24254882

  3. Influence of lignocellulose-derived aromatic compounds on oxygen-limited growth and ethanolic fermentation by Saccharomyces cerevisiae.

    PubMed

    Larsson, S; Quintana-Sáinz, A; Reimann, A; Nilvebrant, N O; Jönsson, L J

    2000-01-01

    Phenolic compounds released and generated during hydrolysis inhibit fermentation of lignocellulose hydrolysates to ethanol by Saccharomyces cerevisiae. A wide variety of aromatic compounds form from lignin, which is partially degraded during acid hydrolysis of the lignocellulosic raw material. Aromatic compounds may also form as a result of sugar degradation and are present in wood as extractives. The influence of hydroxy-methoxy-benzaldehydes, diphenols/quinones, and phenylpropane derivatives on S. cerevisiae cell growth and ethanol formation was assayed using a defined medium and oxygen-limited conditions. The inhibition effected by the hydroxy-methoxy-benzaldehydes was highly dependent on the positions of the substituents. A major difference in inhibition by the oxidized and reduced form of a diphenol/quinone was observed, the oxidized form being the more inhibitory. The phenylpropane derivatives were examined with respect to difference in toxicity depending on the oxidation-reduction state of the gamma-carbon, the presence and position of unsaturated bonds in the aliphatic side chain, and the number and identity of hydroxyl and methoxyl substituents. Transformations of aromatic compounds occurring during the fermentation included aldehyde reduction, quinone reduction, and double bond saturation. Aromatic alcohols were detected as products of reductions of the corresponding aldehydes, namely hydroxy-methoxy-benzaldehydes and coniferyl aldehyde. High molecular mass compounds and the corresponding diphenol were detected as products of quinone reduction. Together with coniferyl alcohol, dihydroconiferyl alcohol was identified as a major transformation product of coniferyl aldehyde. PMID:10849822

  4. Gas-phase base-catalyzed Claisen-Schmidt reactions of the acetone enolate anion with various para-substituted benzaldehydes.

    PubMed

    Haas, G W; Gross, M L

    1996-01-01

    Substituent effects were determined for the gas-phase base-catalyzed Claisen-Schmidt reaction of the acetone enolate anion and various para-substituted benzaldehydes. Under chemical ionization conditions, the adduct for the reaction was detected and the fraction of adduct that is tetrahedral was determined. The Hammett constants for the substituents correlate the fraction of the adduct population that is tetrahedral. The fraction of tetrahedral intermediate is greatest for those systems in which the negative charge is most highly stabilized. The structures of the adducts are determined on the basis of collisionally activated decomposition mass spectra. These spectra show that both the adducts of the ion-molecule reactions and deprotonated reference compounds, which have a structure that is similar to the tetrahedral intermediate, decompose by elimination of water and by a retro-aldol reaction. The adducts formed from the ion-molecule reactions show a greater propensity to reform the acetone enolate, whereas the deprotonated reference compounds eliminate H2O readily. The reaction constant ? from the Hammett correlation is +1.6, which substantiates that the production of tetrahedral intermediates is facilitated by electron-withdrawing substituents. PMID:24202798

  5. Ab-initio and DFT calculations on molecular structure, NBO, HOMO-LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde

    NASA Astrophysics Data System (ADS)

    Rocha, Mariana; Di Santo, Alejandro; Arias, Juan Marcelo; Gil, Diego M.; Altabef, Aída Ben

    2015-02-01

    The experimental and theoretical study on the molecular structure and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde (DMABA) is presented. The IR and Raman spectra were recorded in solid state. Optimized geometry, vibrational frequencies and various thermodynamic parameters of the title compound were calculated using DFT methods and are in agreement with the experimental values. A detailed interpretation of the IR and Raman spectra of the title compound were reported. The stability of the molecule arising from hyper-conjugative interactions and charge delocalization has been analyzed using NBO analysis and AIM approach. The HOMO and LUMO analysis were used to determine the charge transfer within the molecule and some molecular properties such as ionization potential, electron affinity, electronegativity, chemical potential, hardness, softness and global electrophilicity index. The TD-DFT approach was applied to assign the electronic transitions observed in the UV-visible spectrum measured experimentally. Molecular electrostatic potential map was performed by the DFT method. According to DSC measurements, the substance presents a melting point of 72.34 °C and decomposes at temperatures higher than 193 °C.

  6. Formation of active products of benzaldehyde dimethane sulfonate (NSC 281612, DMS612) in human blood and plasma and their activity against renal cell carcinoma lines.

    PubMed

    Parise, Robert A; Anyang, Bean N; Eiseman, Julie L; Egorin, Merrill J; Covey, Joseph M; Beumer, Jan H

    2013-01-01

    Benzaldehyde dimethane sulfonate (BEN, DMS612, NSC281612) is an alkylating agent with activity against renal cell carcinoma and is being evaluated clinically. To support clinical trials, we developed an LC-MS/MS assay to detect and quantitate BEN and its metabolites/decomposition products. We tested the stability and products of BEN and benzoic acid dimethane sulfonate (BA) in plasma, blood and five renal carcinoma cell lines in vitro. Further, we determined the IC(50) of BEN, BA and four of their products in these cell lines. Low temperature and pH stabilized the analytes, and utilizing this resulted in an accurate, precise and reproducible assay. The half-lives of BEN and BA added to plasma in vitro were 220 and 5 min, while the half-life of BEN in whole blood was 18 min. The generation and degradation of up to 12 analytes were monitored, and structures confirmed with available authentic standards. The IC(50) for BEN was 5- to 500-fold lower than that of any of its products, while the cellular metabolic activity toward BEN correlated with ALDH activity and IC(50) values. We detected six of the in vitro products and their respective glucuronides in murine plasma after dosing BEN. The information gained from these experiments will be instrumental in the evaluation of the pharmacology of BEN in ongoing human trials. PMID:23053264

  7. Spectroscopic characterization, antioxidant and antitumour studies of novel bromo substituted thiosemicarbazone and its copper(II), nickel(II) and palladium(II) complexes

    NASA Astrophysics Data System (ADS)

    Jagadeesh, M.; Lavanya, M.; Kalangi, Suresh K.; Sarala, Y.; Ramachandraiah, C.; Varada Reddy, A.

    2015-01-01

    A new, slightly distorted octahedral complex of copper(II), square planar complexes of nickel(II) and palladium(II) with 2,4?-dibromoacetophenone thiosemicarbazone (DBAPTSC) are synthesized. The ligand and the complexes are characterized by FT-IR, FT-Raman, powder X-ray diffraction studies. The IR and Raman data are correlated for the presence of the functional groups which specifically helped in the confirmation of the compounds. In addition, the free ligand is unambiguously characterized by 1H and 13C NMR spectroscopy while the copper(II) complex is characterized by electron paramagnetic resonance spectroscopy (EPR). The g values for the same are found to be 2.246 (g1), 2.012 (g2) and 2.005 (g3) which suggested rhombic distortions. The HOMO-LUMO band gap calculations for these compounds are found to be in between 0.5 and 4.0 eV and these compounds are identified as semiconducting materials. The synthesized ligand and its copper(II), nickel(II) and palladium(II) complexes are subjected to antitumour activity against the HepG2 human hepatoblastoma cell lines. Among all the compounds, nickel(II) complex is found to exert better antitumour activity with 57.6% of cytotoxicity.

  8. 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.

  9. Spectroscopic characterization, antioxidant and antitumour studies of novel bromo substituted thiosemicarbazone and its copper(II), nickel(II) and palladium(II) complexes.

    PubMed

    Jagadeesh, M; Lavanya, M; Kalangi, Suresh K; Sarala, Y; Ramachandraiah, C; Varada Reddy, A

    2015-01-25

    A new, slightly distorted octahedral complex of copper(II), square planar complexes of nickel(II) and palladium(II) with 2,4'-dibromoacetophenone thiosemicarbazone (DBAPTSC) are synthesized. The ligand and the complexes are characterized by FT-IR, FT-Raman, powder X-ray diffraction studies. The IR and Raman data are correlated for the presence of the functional groups which specifically helped in the confirmation of the compounds. In addition, the free ligand is unambiguously characterized by (1)H and (13)C NMR spectroscopy while the copper(II) complex is characterized by electron paramagnetic resonance spectroscopy (EPR). The g values for the same are found to be 2.246 (g1), 2.012 (g2) and 2.005 (g3) which suggested rhombic distortions. The HOMO-LUMO band gap calculations for these compounds are found to be in between 0.5 and 4.0 eV and these compounds are identified as semiconducting materials. The synthesized ligand and its copper(II), nickel(II) and palladium(II) complexes are subjected to antitumour activity against the HepG2 human hepatoblastoma cell lines. Among all the compounds, nickel(II) complex is found to exert better antitumour activity with 57.6% of cytotoxicity. PMID:25064500

  10. 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

  11. 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.

  12. O2 dependence of K+ transport in sickle cells: the effect of different cell populations and the substituted benzaldehyde 12C79.

    PubMed

    Gibson, J S; Khan, A; Speake, P F; Ellory, J C

    2001-03-01

    The molecular basis of sickle cell disease (SCD) is well known but the pathophysiology is poorly understood. It remains intractable to therapy. Hyperactivity of several membrane transport systems, including the K+-Cl- cotransporter (termed KCC), cause HbS-containing red cells (termed HbS cells) to dehydrate and sickle, leading to the development of sickle cell crises (SCCs). Contrary to normal red cells (HbA cells), KCC in HbS cells is active at low O2 tensions (PO2s), remaining responsive to low pH or urea. Since these stimuli are usually encountered in hypoxic regions, the abnormal O2 dependence increases the contribution of KCC to dehydration, and hence development of SCCs. These differences with HbA cells may be due to the younger population of cells or to polymerization of HbS. We used 86Rb+ as a K+ congener to investigate the activity of KCC at different PO2s, and density gradient separation to investigate different red cell fractions. We found no correlation of O2 dependence with cell fractions. We also used the substituted benzaldehyde 12C79 to increase the O2 affinity of HbS and found that its effect on HbS O2 saturation and cell sickling correlated with that on both Cl--independent and Cl--dependent K+ transport, implying that, at low PO2s, KCC activity correlated with HbS polymerization. The importance of these results to understanding the pathophysiology of SCD, and for the design of chemotherapeutic agents to ameliorate or prevent SCC, is discussed. PMID:11259401

  13. Exploring the Anti-Cancer Activity of Novel Thiosemicarbazones Generated through the Combination of Retro-Fragments: Dissection of Critical Structure-Activity Relationships

    PubMed Central

    Rasko, Nathalie; Pot??ková, Eliška; Mrozek-Wilczkiewicz, Anna; Musiol, Robert; Ma?ecki, Jan G.; Sajewicz, Mieczys?aw; Ratuszna, Alicja; Muchowicz, Angelika; Go??b, Jakub; Šim?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

  14. 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

  15. Synthesis, characterization, and preliminary in vitro studies of vanadium(IV) complexes with a Schiff base and thiosemicarbazones as mixed-ligands

    PubMed Central

    Lewis, Nerissa A.; Liu, Fange; Seymour, Luke; Magnusen, Anthony; Erves, Travis R.; Arca, Jessa Faye; Beckford, Floyd A.; Venkatraman, Ramaiyer; González-Sarrías, Antonio; Fronczek, Frank R.; VanDerveer, Don G.; Seeram, Navindra P.; Liu, Aimin; Jarrett, William L.; Holder, Alvin A.

    2013-01-01

    [VO(Sal-L-tryp)(H2O)] 1 (where sal-L-tryp = N-salicylidene-L-tryptophanate) was used as a precursor to produce the novel complexes, [VO(Sal-L-tryp)(MeATSC)].1.5C2H5OH 2 (where MeATSC = 9-Anthraldehyde-N(4)-methylthiosemicarbazone), [VO(Sal-L-tryp)(N-Ethhymethohcarbthio)].H2O 3 (where N-Ethhymethohcarbthio = (E)-N-ethyl-2-(4-hydroxy-3-methoxybenzylidene)hydrazinecarbothioamide), and [VO(Sal-L-tryp)(acetylethTSC)].C2H5OH 4 (where acetylethTSC = (E)-N-ethyl-2-(1-(thiazol-2-yl)ethylidene)hydrazinecarbothioamide), by reaction with the respective thiosemicarbazone. The chemical and structural properties of these ligands and complexes were characterised by elemental analysis, ESI MS, FT-IR, UV-visible, ESR, 1H and 13C NMR spectroscopy, and X-ray crystallography. DMSO and DMSO-d6 solutions of compounds 1-4 were oxidised in air to produce vanadium(V) species which were verified by ESI MS and 51V NMR spectroscopy. Anti-cancer properties of compounds 2-4 were examined with three colon cancer cell lines, HTC-116, Caco-2, and HT-29, and also with non-cancerous colonic myofibroblasts, CCD18-Co. Compounds 2-3 exhibited less inhibitory effects in the CCD-18Co cells, indicating a possible cytotoxic selectivity towards colon cancer cells. In general, those compounds which exhibited anti-proliferative activity on cancer cells, but did not affect non-cancerous cells, may have a potential in chemotherapy. PMID:23904789

  16. Phase I trial of pelvic radiation, weekly cisplatin, and 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP, NSC #663249) for locally advanced cervical cancer

    PubMed Central

    Kunos, Charles A.; Waggoner, Steven; von Gruenigen, Vivian; Eldermire, Elisa; Pink, John; Dowlati, Afshin; Kinsella, Timothy J.

    2009-01-01

    Purpose This study assessed the safety/tolerability, pharmacokinetics, and clinical activity of three-times weekly intravenous 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP, NSC #663249) in combination with once weekly intravenous cisplatin and daily pelvic radiation in patients with gynecologic malignancies. 3-AP is a novel small molecule inhibitor of ribonucleotide reductase (RNR) and is being tested as a potential radiosensitizer and chemosensitizer. Experimental Design Patients with stage IB2-IVB cervical cancer (n=10) or recurrent uterine sarcoma (n=1) were assigned to dose-finding cohorts of 2-hour 3-AP infusions during five weeks of cisplatin chemoradiation. Pharmacokinetic and methemoglobin samples and tumor biopsy for RNR activity were obtained on days 1 and 10. Clinical response was assessed. Results The maximum tolerated 3-AP dose is 25mg/m2 given three-times weekly during cisplatin and pelvic radiation. Two patients experienced manageable 3-AP-related grade 3 or 4 electrolyte abnormalities. 3-AP pharmacokinetics showed a 2-hour half-life, with median peak plasma concentrations of 277ng/mL (25mg/m2) and 467ng/mL (50mg/m2). Median methemoglobin levels peaked at 1% (25mg/m2) and 6% (50mg/m2) at 4 hours after initiating 3-AP infusions. No change in RNR activity was found on day 1 versus 10 in six early complete responders, while elevated RNR activity was seen on day 10 as compared to day 1 in four late complete responders (P =0.02). Ten (100%) patients with stage IB2-IVB cervical cancer achieved complete clinical response and remain without disease relapse with a median 18 months of follow-up (6-32 months). Conclusions 3-AP was well tolerated at a three-times weekly intravenous 25mg/m2 dose during cisplatin and pelvic radiation. PMID:20145183

  17. Crystal structure of 3-[({2-[bis-(2-hy-droxy-benz-yl)amino]-eth-yl}(2-hy-droxy-benz-yl)amino)-meth-yl]-2-hydroxy-5-methyl-benzaldehyde.

    PubMed

    Fonseca, Alexandra S; Bortoluzzi, Adailton J

    2014-12-01

    The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H?O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H?N hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H?N and O-H?O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs. PMID:25552993

  18. Crystal structure of 3-[({2-[bis­(2-hy­droxy­benz­yl)amino]­eth­yl}(2-hy­droxy­benz­yl)amino)­meth­yl]-2-hydroxy-5-methyl­benzaldehyde

    PubMed Central

    Fonseca, Alexandra S.; Bortoluzzi, Adailton J.

    2014-01-01

    The non-symmetric title mol­ecule, C32H34N2O5, is based on a tetra­substituted ethyl­enedi­amine backbone. The mol­ecular structure consists of three hy­droxy­benzyl groups and one 2-hy­droxy-5-methyl­benzaldehyde group bonded to the N atoms of the di­amine unit. The ethyl­enedi­amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy­droxy-5-methyl­benzaldehyde group, an intra­molecular S(6) O—H?O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra­molecular S(6) O—H?N hydrogen bond. The third phenol group is involved in a bifurcated intra­molecular hydrogen bond with graph-set notation S(6) for O—H?N and O—H?O intra­molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra­molecular hydrogen bond and also acts as donor in an inter­molecular hydrogen bond, which connects inversion-related mol­ecules into dimers with R 4 4(8) ring motifs. PMID:25552993

  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. Synthesis, characterization, optical band gap, in vitro antimicrobial activity and DNA cleavage studies of some metal complexes of pyridyl thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Yousef, T. A.; Abu El-Reash, G. M.; El-Gammal, O. A.; Bedier, R. A.

    2013-03-01

    A new series of Cr(III), Mn(II), Ni(II), Zn(II) and Hg(II) complexes of Schiff-bases derived from the condensation of 4-(2-pyridyl)-3-thiosemicarbazide and pyruvic acid (H2PTP) have been synthesized and characterized by spectroscopic studies. Schiff-base exhibit thiol-thione tautomerism wherein sulfur plays an important role in the coordination. The coordination possibility of the Schiff-bases towards metal ions have been proposed in the light of elemental analysis, spectral (IR, UV-vis, 1H NMR and 13C NMR), magnetic and thermal studies. IR spectra show that H2PTP is coordinated to the metal ions in a mononegative tridentate manner except in Cr(III) complex in which the ligand exhibits mononegative bidentate manner. The parameters total energy, binding energy, isolated atomic energy, electronic energy, heat of formation, dipole moment, HOMO and LUMO were calculated for the ligand and its complexes. Furthermore, the kinetic and thermodynamic parameters for the different decomposition steps were calculated using the Coats-Redfern and Horowitz-Metzger methods. Also, the optical band gap (Eg) of the metal complexes has been calculated. The optical transition energy (Eg) is direct and equals 3.20, 3.27 and 3.26 eV for Cr, Mn and Ni complexes, respectively. The synthesized ligand, in comparison to its metal complexes is screened for its antibacterial activity against the bacterial species, Bacillus thuringiensis, Staphylococcus aureus, Pseudomonas aeuroginosa and Escherichia coli. The results show that the metal complexes be more potent in activity antibacterial than the parent Shciff base ligand towards one or more bacterial species. Finally, the biochemical studies showed that, Mn complex have powerful and complete degradation effect on DNA.

  2. Synthesis and In vitro cytotoxic activity evaluation of (E)-16-(substituted benzylidene) derivatives of dehydroepiandrosterone

    PubMed Central

    2013-01-01

    Background and the purpose of the study Modified androsterone derivatives are class of steroidal compounds with potential anticancer properties. Various steroidal derivatives containing substitution at position 16 have shown diversified pharmacological activities. In the present study, a new series of cytotoxic 16-(substituted benzylidene) derivatives of dehydroepiandrosterone (DHEA) were synthesized and evaluated against three different cancer cell lines. Methods The cytotoxic 16-(substituted benzylidene) derivatives of DHEA were synthesized via aldol condensation of DHEA with corresponding benzaldehyde derivatives. The cytotoxic activity of synthesized derivatives was evaluated against three different cancer cells including KB, T47D and SK-N-MC cell lines by MTT reduction colorimetric assay. Results The results indicated that 16-(substituted benzylidene) derivatives of DHEA could be served as a potent anti-cancer agent. The 3-cholro benzylidene derivatives of DHEA was the most potent synthesized derivative especially against KB and T47D cell lines (IC50 values were 0.6 and 1.7 ?M; respectively). Conclusion The cytotoxic potential of novel benzylidene derivatives of DHEA is mainly attributed to the position and nature of the substituted group on the benzylidene pendant. PMID:23635011

  3. Synthesis, Spectral and Antimicrobial Studies of Bis(cyclopentadienyl)titanium(IV) Derivatives with Schiff Bases Derived from 2-Amino-5-phenyl-1,3,4-thiadiazole

    PubMed Central

    Srivastava, A. K.; Pandey, O. P.

    2005-01-01

    The reactions of bis(cyclopentadienyl)titanium(IV) dichloride with Schiff bases derived by condensing 2- amino-5-phenyl-1,3,4-thiadiazole with benzaldehyde (SPT), 4-nitrobenzaldehyde (SNT), 4-methoxybenzaldehyde (SMT), 2-hydroxybenzaldehyde (SSTH) or 2-hydroxyacetophenone (SATH) have been studied in refluxing tetrahydrofuran and complexes of types [Cp2TiCl(SB)]Cl (SB= SPT, SNT or SMT) and [Cp2Ti(SB')]Cl (SB'H= SSTH or SATH) have been isolated. Tentative structural conclusions are drawn for these reaction products based upon elemental analyses, electrical conductance, magnetic moment and spectral (UV-vis, IR and 1H NMR) data. Studies were conducted to assess the growth-inhibiting potential of the complexes synthesized, and the ligands, against various fungal and bacterial strains. PMID:18365105

  4. Dichloridobis[3-(4-chloro­phen­yl)-2,N,N-trimethyl-2,3-di­hydro-1,2,4-oxa­diazole-5-amine-?N 4]platinum(II)–4-chloro­benzaldehyde (1/1)

    PubMed Central

    Kritchenkov, Andreii S.; Gurzhiy, Vladislav V.; Bokach, Nadezhda A.; Kalibabchuk, Valentina A.

    2013-01-01

    In the title 1:1 co-crystal, [PtCl2(C11H14ClN3O)2]·C7H5ClO, the coordination polyhedron of the PtII atom is slightly distorted square-planar with the chloride and 2,3-di­hydro-1,2,4-oxa­diazole ligands mutually trans, as the Pt atom lies on an inversion center. The 4-chloro­benzaldehyde mol­ecules are statistically disordered about an inversion centre with equal occupancies for the two positions. The PtII complex forms a three-dimensional structure through C—H?Cl and weaker C—H?O inter­actions with the 4-chloro­benzaldehyde mol­ecule. PMID:24109273

  5. Synthesis, structural characterization and biological studies of copper complexes with 2-aminobenzothiazole derivatives

    NASA Astrophysics Data System (ADS)

    Joseph, J.; Boomadevi Janaki, G.

    2014-04-01

    Novel copper complexes of 2-aminobenzothiazole derivatives were synthesized by the condensation of Knoevenagel condensate acetoacetanilide (obtained from substituted benzaldehydes and acetoacetanilide) and 2-aminobenzothiazole. They were thoroughly characterized by elemental analysis, IR, 1H NMR, UV-Vis., MS Spectra, molar conductance, magnetic moment and electrochemical studies. These spectral studies suggested that distorted square planar geometry for all the complexes. Molar conductance data and magnetic susceptibility measurements provide evidence for monomeric and neutral nature of the complexes. The electrochemical behaviour of the ligand and complexes in DMSO at 298 K was studied. The present ligand systems stabilize the unusual oxidation states of copper ion during electrolysis. Antibacterial screening of the ligands and their complexes reveal that all the complexes show higher activities than the free ligands.

  6. Determination of absolute photoionization cross-sections of aromatics and aromatic derivatives.

    PubMed

    Zhou, Zhongyue; Xie, Mingfeng; Wang, Zhandong; Qi, Fei

    2009-12-01

    The absolute photoionization cross-sections of aromatics and aromatic derivatives including toluene, ethylbenzene, n-propylbenzene, o-xylene, m-xylene, p-xylene, 1,3,5-trimethylbenzene, styrene, phenylacetylene, indene, indane, 1-methylnaphthalene, benzyl alcohol and benzaldehyde were measured at the photon energy range from ionization thresholds to 11.7 eV. The experiments were performed by tunable synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry. Benzene was chosen as a calibration standard, since its photoionization cross-section is well known. Binary liquid mixtures of the investigated molecules and benzene were used in the measurements. Photo-induced fragments from the molecules were also observed, and their photoionization cross-sections are also presented. PMID:19918935

  7. Derivative chameleons

    SciTech Connect

    Noller, Johannes, E-mail: johannes.noller08@imperial.ac.uk [Theoretical Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2BZ (United Kingdom)

    2012-07-01

    We consider generalized chameleon models where the conformal coupling between matter and gravitational geometries is not only a function of the chameleon field ?, but also of its derivatives via higher order co-ordinate invariants (such as ?{sub ?}??{sup ?}?,??,...). Specifically we consider the first such non-trivial conformal factor A(?,?{sub ?}??{sup ?}?). The associated phenomenology is investigated and we show that such theories have a new generic mass-altering mechanism, potentially assisting the generation of a sufficiently large chameleon mass in dense environments. The most general effective potential is derived for such derivative chameleon setups and explicit examples are given. Interestingly this points us to the existence of a purely derivative chameleon protected by a shift symmetry for ? ? ?+c. We also discuss potential ghost-like instabilities associated with mass-lifting mechanisms and find another, mass-lowering and instability-free, branch of solutions. This suggests that, barring fine-tuning, stable derivative models are in fact typically anti-chameleons that suppress the field's mass in dense environments. Furthermore we investigate modifications to the thin-shell regime and prove a no-go theorem for chameleon effects in non-conformal geometries of the disformal type.

  8. A novel azo-aldehyde and its Ni(II) chelate; synthesis, characterization, crystal structure and computational studies of 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl}benzaldehyde

    NASA Astrophysics Data System (ADS)

    Eren, Tu?ba; Kose, Muhammet; Sayin, Koray; McKee, Vickie; Kurtoglu, Mukerrem

    2014-05-01

    A novel azo-salicylaldeyde, 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl} benzaldehyde and its Ni(II) chelate were obtained and characterized by analytical and spectral techniques. Molecular structure of the azo chromophore containing azo-aldehyde was determined by single crystal X-ray crystallography. X-ray data show that the compound crystallizes in the orthorhombic, Pbca space group with unit cell parameters a = 11.2706(9), b = 8.3993(7), c = 28.667(2) Å, V = 2713.7(4) Å3 and Z = 8. There is a strong phenol-aldehyde (OH⋯O) hydrogen bond forming a S(6) hydrogen bonding motif in the structure. There is also a weaker inter-molecular phenol-aldeyhde (OH⋯O) hydrogen bonding resulting in a dimeric structure and generating a D22(4) hydrogen bonding motif. Hydrogen bonded dimers are linked by ?-? interactions within the structure. The azo-aldehyde ligand behaved as bidentate, coordinating through the nitrogen atom of the azomethine group and or oxygen atom of phenolic hydroxyl group. Additionally, optimized structures of the three possible tautomers of the compound were obtained using B3LYP method with 6-311++G(d,p), 6-31G and 3-21G basis sets in the gas phase. B3LYP/6-311++G(d,p) level is found to be the best level for calculation. The electronic spectra of the compounds in the 200-800 nm range were obtained in three organic solvents.

  9. The anticancer agent di-2-pyridylketone 4,4-dimethyl-3-thiosemicarbazone (Dp44mT) overcomes prosurvival autophagy by two mechanisms: persistent induction of autophagosome synthesis and impairment of lysosomal integrity.

    PubMed

    Gutierrez, Elaine; Richardson, Des R; Jansson, Patric J

    2014-11-28

    Autophagy functions as a survival mechanism during cellular stress and contributes to resistance against anticancer agents. The selective antitumor and antimetastatic chelator di-2-pyridylketone 4,4-dimethyl-3-thiosemicarbazone (Dp44mT) causes lysosomal membrane permeabilization and cell death. Considering the integral role of lysosomes in autophagy and cell death, it was important to assess the effect of Dp44mT on autophagy to further understand its mechanism of action. Notably, Dp44mT affected autophagy by two mechanisms. First, concurrent with its antiproliferative activity, Dp44mT increased the expression of the classical autophagic marker LC3-II as a result of induced autophagosome synthesis. Second, this effect was supplemented by a reduction in autophagosome degradation as shown by the accumulation of the autophagic substrate and receptor p62. Conversely, the classical iron chelator desferrioxamine induced autophagosome accumulation only by inhibiting autophagosome degradation. The formation of redox-active iron or copper Dp44mT complexes was critical for its dual effect on autophagy. The cytoprotective antioxidant N-acetylcysteine inhibited Dp44mT-induced autophagosome synthesis and p62 accumulation. Importantly, Dp44mT inhibited autophagosome degradation via lysosomal disruption. This effect prevented the fusion of lysosomes with autophagosomes to form autolysosomes, which is crucial for the completion of the autophagic process. The antiproliferative activity of Dp44mT was suppressed by Beclin1 and ATG5 silencing, indicating the role of persistent autophagosome synthesis in Dp44mT-induced cell death. These studies demonstrate that Dp44mT can overcome the prosurvival activity of autophagy in cancer cells by utilizing this process to potentiate cell death. PMID:25301941

  10. Antifungal Activities of Copper(II) with Biosensitive Macrocyclic Schiff Base Ligands Derived from 4-Aminoantipyrine Derivatives

    PubMed Central

    Joseph, J.

    2009-01-01

    Novel copper(II) complexes have been synthesized from the macrocyclic Schiff bases derived from Knoevenagel condensed ?-ketoanilides (obtained by the condensation of acetoacetanilide and substituted benzaldehydes), 4-aminoantipyrine and o-phenylene diamine. The structural features have been determined from their analytical and spectral data. All the Cu(II) complexes exhibit square planar geometry. Their high molar conductance values support their 1 : 2 electrolytic nature. The magnetic moment data provide evidence for the monomeric nature of the complexes. The X-band ESR spectra of the [CuL1](OAc)2 in DMSO solution at 300 and 77 K were recorded and their salient features are reported. The in vitro biological screening effects of the investigated compounds were tested against the bacterial species Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Proteus vulgaris and Pseudomonas aeruginosa and fungal species Aspergillus niger, Rhizopus stolonifer, Aspergillus flavus, Rhizoctonia bataicola and Candida albicans by well diffusion method. A comparative study of inhibition values of the Schiff bases and their complexes indicate that complexes exhibit higher antimicrobial activity than the Schiff bases. Copper ions proved to be essential for the growth-inhibitor effect. The extent of inhibition appeared to be strongly dependent on the initial cell density and on the growth medium. PMID:23983523

  11. 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

  12. Complex forming competition and in-vitro toxicity studies on the applicability of di-2-pyridylketone-4,4,-dimethyl-3-thiosemicarbazone (Dp44mT) as a metal chelator.

    PubMed

    Gaál, Anikó; Orgován, Gábor; Polgári, Zsófia; Réti, Andrea; Mihucz, Victor G; B?sze, Szilvia; Szoboszlai, Norbert; Streli, Christina

    2014-01-01

    Di-2-pyridylketone-4,4,-dimethyl-3-thiosemicarbazone (Dp44mT) is a potential candidate in chelation therapy as an iron chelator. This study showed that a combined treatment with 2?M easily available Fe(II), Cu(II) and Zn(II) each and 5?M Dp44mT on eight different cancer cell lines resulted in a 10-40-fold increase in the intracellular Cu content compared to control samples. The uptake of Cu and Cu-dependent cytotoxicity strictly depend on the Cu concentration of the culture medium. Even as low concentration of Dp44mT as 0.1?M can transport high amounts of copper inside the cells. The Cu accumulation and toxicity through Dp44mT can hardly be influenced by Fe. Copper uptake and toxicity triggered by 2?M extracellular Cu(II) and 5?M Dp44mT could not be influenced by Fe(II) extracellular concentrations even 50-times higher than that of Cu(II). A 50-times higher Co(II) extracellular concentration hindered the Cu(II) uptake almost completely and a 10-times higher Co(II) concentration already decreased the Dp44mT-mediated Cu toxicity. Conditional complex stability constant determinations for Dp44mT with Cu(II), Co(II), Fe(II), Ni(II) and Zn(II) revealed that the metal-to-ligand ratio is 1:1 in [Cu(II)Dp44mT] complex, while for Co(II), Fe(II) and Ni(II) is 1:2. The highest stability constant was obtained for Cu(II) (lg ?=7.08±0.05) and Co(II) (lg ?2=12.47±0.07). According to our results, Dp44mT in combination with Cu is highly toxic in vitro. Therefore, the use of Dp44mT as an iron chelator is limited if biologically available Cu is also present even at low concentrations. PMID:24176919

  13. Fractional Derivative as Fractional Power of Derivative

    E-print Network

    Vasily E. Tarasov

    2007-11-16

    Definitions of fractional derivatives as fractional powers of derivative operators are suggested. The Taylor series and Fourier series are used to define fractional power of self-adjoint derivative operator. The Fourier integrals and Weyl quantization procedure are applied to derive the definition of fractional derivative operator. Fractional generalization of concept of stability is considered.

  14. Spectral, redox and catalytic studies of triphenylphosphine/triphenylarsine complexes of Ru(III) with N, O donor ligands derived from 2-hydroxy-1-naphthaldehyde and primary amines

    NASA Astrophysics Data System (ADS)

    Mahalingam, V.; Karvembu, R.; Chinnusamy, V.; Natarajan, K.

    2006-07-01

    A series of new mixed ligand hexacoordinated ruthenium(III) Schiff base complexes of the type [RuX 2(EPh 3) 2(LL')] (X = Cl, E = P; X = Cl or Br, E = As and LL' = anion of the Schiff bases derived from the condensation of 2-hydroxy-1-naphthaldehyde with aniline, 4-chloroaniline, 2-methyl aniline and 4-methoxy aniline) are reported. All the complexes have been characterized by analytical and spectral (IR, electronic and EPR) data. The redox behavior of the complexes has also been studied. The complexes exhibit catalytic activity in the oxidation of benzyl alcohol to benzaldehyde in the presence of N-methyl morpholine- N-oxide (NMO). An octahedral structure has been proposed for all of the complexes.

  15. 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.

  16. The chemotherapy of tuberculosis with thiosemicarbazones

    Microsoft Academic Search

    G. Domagk

    1951-01-01

    groups. What are the special properties of these three groups against the micro-organisms of tuberculosis? In the first instance it can be generally stated that none of them, even when applied for days or even weeks in concentrations much higher than those achieved in the diseased organism, leads to a killing-off of the tubercle bacilli. What then is their effect

  17. Design, Synthesis, and Trypanocidal Activity of New Aminoadamantane Derivatives

    PubMed Central

    Papanastasiou, Ioannis; Tsotinis, Andrew; Kolocouris, Nicolas; Prathalingam, S. Radhika; Kelly, John M.

    2008-01-01

    To develop functionalized adamantanes for treating African trypanosomiasis, we report on the synthesis of new 1-alkyl-2-aminoadamantanes 1a-i, 1-alkyltricyclo[3.3.1.13,7]decan-2-guanylhydrazones 2a-g, and their congeneric thiosemicarbazones 3a,b. The potency of these compounds against Trypanosoma brucei was compared to that of amantadine and rimantadine and found to be substantially higher. The most active analogues, 1c, 1d, 2c, 2g, and 3b, illustrate the synergistic effect of the lipophilic character of the C1 side chain and the C2 functionality on trypanocidal activity. PMID:18281929

  18. ARIANE 5 light derivatives

    NASA Astrophysics Data System (ADS)

    Astorg, Jean-Marc

    1993-01-01

    The Ariane 5 light derivatives are studied in order to complete Ariane 5 launch services with regard to medium size Sun synchronous spacecrafts (S derivative) and small satellites (P derivative). The P derivative is a three stage launcher with two solid propellant motors and a bipropellant upper stage. It is capable of placing 1 ton in a 1000 km circular polar orbit or two 450 kg payloads in the same orbit. The light derivatives are mainly derived from the Ariane 5 solid propellant booster and upper stage. The payload volume is particulary large (2.8 m internal maximal diameter, 6 m height). The light derivatives will be launched from the Ariane spaceport in Guyana. They will use Ariane 5 facilities for payload preparation and launch operation with a specific building for launcher integration. The first flight of the P derivative is scheduled for 1998.

  19. Thermodynamic Derivatives without Tables

    Microsoft Academic Search

    John S. Thomsen

    1964-01-01

    A simple, concise method is presented for deriving any desired thermodynamic first derivative in terms of a minimal basic set. The method is given in detail for a two-degree-of-freedom system, specifically a homogeneous fluid. The variables involved, including thermodynamic potentials, are briefly reviewed and the Maxwell relations derived. Differentials of all variables are expressed in terms of those of p

  20. Biologically Active Cellulose Derivatives

    Microsoft Academic Search

    A D Virnik

    1973-01-01

    The review deals with the synthesis and applications of biologically active cellulose derivatives. The synthesis of cellulose derivatives with antimicrobial and haemostatic (arresting blood flow) properties, the possible fields of application of antimicrobial and haemostatic cellulose materials, the synthesis of graft copolymers of cellulose and biologically active proteins (enzymes and antigens), and medical applications of cellulose derivatives containing ionogenic or

  1. Partial Derivatives: Geometric Visualization

    NSDL National Science Digital Library

    James Rutledge

    This write-pair-share activity presents Calculus III students with a worksheet containing several exercises that require them to find partial derivatives of functions of two variables. Afterwards, a series of Web-based animations are used to illustrate the surface of each function, the path of the indicated partial derivative for a specified value of the variable and the value of the derivative at each point along the path.

  2. 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.

  3. Immunomodulatory and anticancer activities of some novel 2-substituted-6-bromo-3-methylthiazolo[3,2-a]benzimidazole derivatives.

    PubMed

    Abdel-Aziz, Hatem A; Gamal-Eldeen, Amira M; Hamdy, Nehal A; Fakhr, Issa M I

    2009-04-01

    Ethyl 6-bromo-3-methyl-1,3-thiazolo[3,2-a]benzimidazole-2-carboxylate 2 was prepared by the ambient temperature bromination of ethyl 3-methyl-1,3-thiazolo[3,2-a]benzimidazole-2-carboxylate 1. The acid hydrazide 4 was obtained by the reaction of ester 2 with hydrazine hydrate. Treatment of compound 4 with benzaldehyde or 2-thiophenaldehyde yielded the corresponding hydrazones 6a and 6b, respectively, while the reaction of acid hydrazide 4 with ethoxymethylene malononitrile (7a) or with ethyl ethoxymethylene cyanoacetate (7b) in refluxing ethanol afforded pyrazole derivatives 9a and 9b, respectively. Taken together, from the biological investigations compounds 9a and 9b were the most significant inhibitors of LPS-stimulated NO generation from Raw murine macrophage 264.7, and, as another result, compounds 2 and 4 had a weak radical scavenging activity against DPPH radicals. Moreover, 2, 4, and 9a had a concomitant strong cytotoxicity against both colon carcinoma cells (HCT-116) and hepatocellular carcinoma cells (Hep-G2) while 9b showed specific cytotoxicity only against colon carcinoma cells. PMID:19340836

  4. 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.

  5. Dynamic Derivative Strategies

    Microsoft Academic Search

    Jun Liu; Jun Pan

    2002-01-01

    This paper studies the optimal investment strategy of an investor who can access not only the bond and the stock markets, but also the derivatives market. We consider the investment situation where, in addition to the usual diusive price shocks, the stock market experiences sudden price jumps and stochastic volatility. The dynamic portfolio problem involving derivatives is solved in closed-form.

  6. 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.

  7. A Novel NADPH-Dependent Aldehyde Reductase Gene from Saccharomyces cerevisiae NRRL Y-12632 Involved in the Detoxification of Aldehyde Inhibitors Derived from Lignocellulosic Biomass Conversion

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Aldehyde inhibitors such as furfural, 5-hydroxymethylfurfural (HMF), anisaldehyde, benzaldehyde, cinnamaldehyde, and phenylaldehyde are commonly generated during lignocellulosic biomass conversion process for low-cost cellulosic ethanol production that interferes with subsequent microbial growth and...

  8. Oxygenated Derivatives of Hydrocarbons

    Technology Transfer Automated Retrieval System (TEKTRAN)

    For the book entitled “Insect Hydrocarbons: Biology, Biochemistry and Chemical Ecology”, this chapter presents a comprehensive review of the occurrence, structure and function of oxygenated derivatives of hydrocarbons. The book chapter focuses on the occurrence, structural identification and functi...

  9. Dynamic Derivative Strategies

    E-print Network

    Liu, Jun

    2003-09-25

    This paper studies the optimal investment strategy of an investor who can access not only the bond and the stock markets, but also the derivatives market. We consider the investment situation where, in addition to the usual ...

  10. Deriving Common Model Characteristics

    NSDL National Science Digital Library

    Jennifer Momsen

    In this activity, students confront several different models - from the DNA helix Watson and Crick constructed in their laboratory to a map of McDonalds density in the US - and work in small groups to derive their commonalities.

  11. Credit derivatives in Brazil

    E-print Network

    Rüther, Henrique

    2007-01-01

    The amounts outstanding of credit derivatives have grown exponentially over the past years, and these financial intruments that allow market participants to trade credit risk have become very popular in Europe and in the ...

  12. Teaching Cournot without Derivatives.

    ERIC Educational Resources Information Center

    Dufwenberg, Martin

    2001-01-01

    Presents a simple technique for teaching the Cournot model to first-year microeconomic students. Involves demonstrating, without the use of derivatives, that out of all rectangles with a common perimeter, the square has the greatest area. (RLH)

  13. 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.

  14. 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 ...

  15. Extended Derivative Dispersion Relations

    E-print Network

    R. F. Avila; M. J. Menon

    2006-01-24

    It is shown that, for a wide class of functions with physical interest as forward scattering amplitudes, integral dispersion relations can be replaced by derivative forms without any high-energy approximation. The applicability of these extended derivative relations, in the investigation of forward proton-proton and antiproton-proton elastic scattering, is exemplified by means of a Pomeron-Reggeon model with totally nondegenerate trajectories.

  16. Derivative beliefs and evaluations

    Microsoft Academic Search

    Daniel A. Sheinin; Laurette Dubé; Bernd H. Schmitt

    2008-01-01

    Purpose – The purpose of this research is to examine how consumers form beliefs and evaluate derivatives (e.g. handheld computers) and branded derivatives (e.g. Palm handheld computers). The aim is to study how consumers combine two categories (e.g. “handheld products” and “computers”) to form beliefs, how the similarity between the categories influences beliefs, how the addition of a brand changes

  17. 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.

  18. Derived enriched uranium market

    Microsoft Academic Search

    Rutkowski

    1996-01-01

    The potential impact on the uranium market of highly enriched uranium from nuclear weapons dismantling in the Russian Federation and the USA is analyzed. Uranium supply, conversion, and enrichment factors are outlined for each country; inventories are also listed. The enrichment component and conversion components are expected to cause little disruption to uranium markets. The uranium component of Russian derived

  19. Biotechnology and derived products

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Microorganisms able to infect and kill insect pests, metabolites from plants and microorganisms, and transgenic crops are biotechnologically derived products that are being promoted for use to control insect pests in lieu of chemical insecticides. Products based on these technologies effectively co...

  20. Deriving force from inductance

    Microsoft Academic Search

    M. de Almeida Bueno; A. K. T. Assis

    1998-01-01

    The correctness of calculating the force on current carrying circuits by taking the derivative of the inductance coefficient of the circuits is shown even in the case of a single closed circuit, contrary to the opinion of some authors. This demonstration is illustrated with the force exerted by a cylinder with poloidal current on an infinitesimal strip belonging to the

  1. Insulin-derived amyloidosis

    PubMed Central

    Gupta, Yashdeep; Singla, Gaurav; Singla, Rajiv

    2015-01-01

    Amyloidosis is the term for diseases caused by the extracellular deposition of insoluble polymeric protein fibrils in tissues and organs. Insulin-derived amyloidosis is a rare, yet significant complication of insulin therapy. Insulin-derived amyloidosis at injection site can cause poor glycemic control and increased insulin dose requirements because of the impairment in insulin absorption, which reverse on change of injection site and/or excision of the mass. This entity should be considered and assessed by histopathology and immunohistochemistry, in patients with firm/hard local site reactions, which do not regress after cessation of insulin injection at the affected site. Search strategy: PubMed was searched with terms “insulin amyloidosis”. Full text of articles available in English was reviewed. Relevant cross references were also reviewed. Last search was made on October 15, 2014. PMID:25593849

  2. 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.

  3. Notion of a virtual derivative

    E-print Network

    Gintaras Valiukevicius

    2011-04-12

    Diagrams as a graphic expresion of derivatives is proposed for calculation of derivatives for composed function. The concret diagram is understood as a virtual derivative in contrast of concret derivative. In polynomial expression of functions derivative the concret derivative will be every monomic member, and the virtual derivative represent the sum of similar monomic members. The word virtual denotes that we dont need to know every virtual derivative, we don't write all the sequence of these virtual derivatives, and simply pick the needed one. This is in contrast of tradition to write the whole algebraic expresion as a denotion of whole function's derivative. Such graphic expresion can be helpful in the problems of differential geometry, in the various asymptotic expantions, also in the solution of some differential equations.

  4. 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.

  5. Distinct mechanisms of cell-kill by triapine and its terminally dimethylated derivative Dp44mT due to a loss or gain of activity of their copper(II) complexes.

    PubMed

    Ishiguro, Kimiko; Lin, Z Ping; Penketh, Philip G; Shyam, Krishnamurthy; Zhu, Rui; Baumann, Raymond P; Zhu, Yong-Lian; Sartorelli, Alan C; Rutherford, Thomas J; Ratner, Elena S

    2014-10-01

    Triapine, currently being evaluated as an antitumor agent in phase II clinical trials, and its terminally dimethylated derivative Dp44mT share the ?-pyridyl thiosemicarbazone backbone that functions as ligands for transition metal ions. Yet, Dp44mT is approximately 100-fold more potent than triapine in cytotoxicity assays. The aims of this study were to elucidate the mechanisms underlying their potency disparity and to determine their kinetics of cell-kill in culture to aid in the formulation of their clinical dosing schedules. The addition of Cu(2+) inactivated triapine in a 1:1 stoichiometric fashion, while it potentiated the cytotoxicity of Dp44mT. Clonogenic assays after finite-time drug-exposure revealed that triapine produced cell-kill in two phases, one completed within 20 min that caused limited cell-kill, and the other occurring after 16 h of exposure that produced extensive cell-kill. The ribonucleotide reductase inhibitor triapine at 0.4 ?M caused immediate complete arrest of DNA synthesis, whereas Dp44mT at this concentration did not appreciably inhibit DNA synthesis. The inhibition of DNA synthesis by triapine was reversible upon its removal from the medium. Cell death after 16 h exposure to triapine paralleled the appearance of phospho-(?)H2AX, a marker of DNA double-strand breaks induced by collapse of DNA replication forks after prolonged replication arrest. In contrast to triapine, Dp44mT produced robust cell-kill within 1h in a concentration-dependent manner. The short-term action of both agents was prevented by thiols, indicative of the involvement of reactive oxygen species. The time dependency in the production of cell-kill by triapine should be considered in treatment regimens. PMID:25130544

  6. Symmetrically tetrasubstituted [2.2]paracyclophanes: their systematization and regioselective synthesis of several types of bis-bifunctional derivatives by double electrophilic substitution.

    PubMed

    Vorontsova, Natalia V; Rozenberg, Valeria I; Sergeeva, Elena V; Vorontsov, Evgenii V; Starikova, Zoya A; Lyssenko, Konstantin A; Hopf, Henning

    2008-01-01

    The possible number of chiral and achiral tetrasubstituted [2.2]paracyclophanes possessing different types of symmetry (C(2), C(i), C(s), C(2v), C(2h)) is evaluated and a unified independent trivial naming descriptor system is introduced. The reactivity and regioselectivity of the electrophilic substitution of the chiral pseudo-meta- and achiral pseudo-para-disubstituted [2.2]paracyclophanes are investigated in an approach suggested to be general for the synthesis of bis-bifunctional [2.2]paracyclophanes. The mono- and diacylation of chiral pseudo-meta-dihydroxy[2.2]paracyclophane 14 with acetylchloride occur ortho-regioselectively to produce tri- 22, 23 and symmetrically 21 tetrasubstituted acyl derivatives. The same reaction with benzoylchloride is neither regio-, nor chemoselective, and gives rise to a mixture of ortho-/para-, mono-/diacylated compounds 27-31. The double acylation of pseudo-meta-dimethoxy[2.2]paracyclophane 18 is completely para-regioselective. Electrophilic substitution of pseudo-meta-bis(methoxycarbonyl)[2.2]paracyclophane 20 regioselectively generates the pseudo-gem-substitution pattern. Formylation of this substrate produces the monocarbonyl derivatives 35 only, whereas the Fe-catalyzed bromination may be directed towards mono- 36 or disubstitution 37 products chemoselectively by varying the reactions conditions. The diacylation and dibromination reactions of the respective achiral diphenol 12 and bis(methoxycarbonyl) 40 derivatives of the pseudo-para-structure retain regioselectivities which are characteristic for their pseudo-meta-regioisomers. Imino ligands 26, 25, and 39, which were obtained from monoacyl- 22 and diacyldihydroxy[2.2]paracyclophanes 21, 38, are tested as chiral ligands in stereoselective Et(2)Zn addition to benzaldehyde producing 1-phenylpropanol with ee values up to 76 %. PMID:18386280

  7. Acquiring Knowledge of Derived Nominals and Derived Adjectives in Context

    ERIC Educational Resources Information Center

    Marinellie, Sally A.; Kneile, Lynn A.

    2012-01-01

    Purpose: This research investigated children's ability to acquire semantic and syntactic knowledge of derived nominals and derived adjectives in the context of short passages. The study also investigated the relation of morphological awareness and the ability to acquire knowledge of derived words in context. Method: A total of 106 children in…

  8. 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.

  9. Optimal Investment in Derivative Securities

    Microsoft Academic Search

    Peter Carr; Xing Jin; Dilip B. Madan

    2000-01-01

    We consider the problem of optimal investment in a risky asset, and in derivatives written on the price process of this asset, when the underlying asset price process is a pure jump Levy process. The duality approach of Karatzas and Shreve is used to derive the optimal consumption and investment plans. In our economy, the optimal derivative payoff can be

  10. Higher-derivative 3-algebras

    E-print Network

    Mohsen Alishahiha; Sunil Mukhi

    2008-09-05

    Starting with the N=8 supersymmetric Yang-Mills theory on D2-branes and incorporating higher-derivative corrections to lowest nontrivial order, we perform a duality to derive the Lorentzian 3-algebra theory along with a set of derivative corrections. We find that these corrections can be expressed entirely in terms of intrinsic 3-algebra quantities: the 3-bracket and covariant derivatives. Our analysis is performed for both bosonic and fermionic terms. We conjecture that the derivative corrections we obtain are relevant for Euclidean 3-algebra theories as well.

  11. Deriving bedform phase diagrams

    NSDL National Science Digital Library

    Tom Hickson

    Students prepare for this activity by working with a unidirectional flume with a sand bed. We adjust water depth, flow velocity, and channel slope to achieve a range of bed states, in an effort for them to understand the controls on bedforms. This portion of the activity could be done in lecture or via another exercise that makes use of digital video of actual experiments. The activity itself is a jigsaw: students form groups of three, each group responsible for plotting depth vs. velocity plots of bedform state for a single sand grain size range (0.10-0.14 mm, 0.5-0.64 mm, and 1.3-1.8 mm). These data are provided to them as Excel files and the data were directly 'stolen' from the original depth vs. velocity plots in Middleton and Southard (1984), Mechanics of Sediment Movement, SEPM Short Course Number 3. Datathief software (available free on the web) was used to steal the data. The data are arranged in columns: depth, velocity, and bedform type. Students must plot each of the different bedform types with a different symbol, then they have to define field boundaries. It is critical that they have never seen the original plots in their textbook. The goal is for them to derive them on their own, not to regurgitate what is in their textbook or elsewhere. After they complete their plots for each grain size range, the groups re-arrange themselves into groups of three with one representative from each of the grain size groups. They then must try to evaluate the effects of changing grain size on bedform state. Finally, after completing the exercise, the bedform analysis is linked to the cross stratification that is produced under conditions of high sediment fallout rates and the given bed state. The activity gives students practice working with realistic datasets, exposure to the role of physical modeling in sedimentary geology, and a chance to plot and interpret real data. Furthermore, it really solidifies the link between cross stratification and its dynamic interpretation from the rock record.

  12. Finite investigations of transfinite derivations

    Microsoft Academic Search

    G. E. Mints

    1978-01-01

    ?-derivations of arithmetic formulas are analyzed. A primitive recursive normalization operator E is constructed in the first part. It cut-eliminates not only recursively described derivations (i.e., well-founded proof-figures) but also arbitrary (not necessarily well-founded) proof-figures constructed from an axiom by derivation rules. This permits us to apply E in the theory of models, Its application in the theory of proofs

  13. Optimal investment in derivative securities

    Microsoft Academic Search

    Peter Carr; Xing Jin; Dilip B. Madan

    2001-01-01

    .   We consider the problem of optimal investment in a risky asset, and in derivatives written on the price process of this asset,\\u000a when the underlying asset price process is a pure jump Lévy process. The duality approach of Karatzas and Shreve is used to\\u000a derive the optimal consumption and investment plans. In our economy, the optimal derivative payoff can

  14. Limits and Derivatives: The Derivative as a Function

    NSDL National Science Digital Library

    Michael Freeze

    Sketch the graph of the derivative of a geometrically represented function;Explain the correspondence between the sign of the derivative on an interval and the monotonicity of the function on that interval. Classify the basic ways in which a function may fail to be differentiable.

  15. 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

  16. Hyperplane sections and derived categories

    NASA Astrophysics Data System (ADS)

    Kuznetsov, A. G.

    2006-06-01

    We give a generalization of the theorem of Bondal and Orlov about the derived categories of coherent sheaves on intersections of quadrics, revealing the relation of this theorem to projective duality. As an application, we describe the derived categories of coherent sheaves on Fano 3-folds of index 1 and degrees 12, 16 and 18.

  17. Asset Liability Management Using Derivatives

    Microsoft Academic Search

    N. E. Frangos; S. D. Vrontos; A. N. Yannacopoulos

    We show how derivatives can be used for asset liability management when the stock price process is driven by Brownian motion. We generalize some results that have been derived under the assumption of Brownian motion, for difierent types of options, and we show how they can be used for e-cient and with low transactions costs asset liability management. We construct

  18. Synthesis of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3AP)

    Microsoft Academic Search

    Chuansheng Niu; Jun Li; Terrence W. Doyle; Shu-Hui Chen

    1998-01-01

    Palladium-catalyzed cross-coupling of methylboronic acid with 2-chloro-3-nitropyridine produced 2-methyl-3-nitropyridine 4 in one step in high yield. Oxidation of 4 with selenium dioxide gave aldehyde 5. Alternatively, condensation of 4 with DMFDMA followed by oxidation gave 5 in a two step higher yielding conversion. Subsequent direct coupling of 5 with thiosemicarbazide followed by reduction of the nitro group using stannous chloride

  19. Antifungal and Antioxidant Activities of Pyrrolidone Thiosemicarbazone Complexes

    PubMed Central

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

    2012-01-01

    Metal complexes of (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide (L) with Cu(II), Co(II), and Ni(II) chlorides were tested against selected types of fungi and were found to have significant antifungal activities. The free-radical-scavenging ability of the metal complexes was determined by their interaction with the stable free radical 2,2??-diphenyl-1-picrylhydrazyl, and all the compounds showed encouraging antioxidant activities. DFT calculations of the Cu complex were performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms. PMID:22400016

  20. 12 CFR 163.172 - Financial derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false Financial derivatives. 163.172 Section 163.172 Banks...Management Policies § 163.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  1. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2012-01-01 true Financial derivatives. 563.172 Section 563.172 Banks...Management Policies § 563.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  2. 12 CFR 390.352 - Financial derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...2012-01-01 2012-01-01 false Financial derivatives. 390.352 Section 390.352 Banks...Associations-Operations § 390.352 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  3. 12 CFR 163.172 - Financial derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...2012-01-01 2012-01-01 false Financial derivatives. 163.172 Section 163.172 Banks...Management Policies § 163.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  4. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...2012-01-01 2012-01-01 false Financial derivatives. 563.172 Section 563.172 Banks...Management Policies § 563.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  5. 12 CFR 390.352 - Financial derivatives.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false Financial derivatives. 390.352 Section 390.352 Banks...Associations-Operations § 390.352 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  6. 12 CFR 163.172 - Financial derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...2013-01-01 2013-01-01 false Financial derivatives. 163.172 Section 163.172 Banks...Management Policies § 163.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  7. 12 CFR 390.352 - Financial derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...2013-01-01 2013-01-01 false Financial derivatives. 390.352 Section 390.352 Banks...Associations-Operations § 390.352 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  8. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...2010-01-01 2010-01-01 false Financial derivatives. 563.172 Section 563.172 Banks...Management Policies § 563.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  9. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...2011-01-01 2011-01-01 false Financial derivatives. 563.172 Section 563.172 Banks...Management Policies § 563.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  10. 12 CFR 563.172 - Financial derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...2013-01-01 2012-01-01 true Financial derivatives. 563.172 Section 563.172 Banks...Management Policies § 563.172 Financial derivatives. (a) What is a financial derivative? A financial derivative is a...

  11. 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

  12. 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.

  13. Elevation Derivatives for National Applications

    USGS Publications Warehouse

    U.S. Geological Survey

    2005-01-01

    The Elevation Derivatives for National Applications (EDNA) project is a multi-agency effort to develop standard topographically derived layers for use in hydrologic and environmental modeling. The EDNA takes advantage of the seamless and filtered characteristics for the National Elevation Dataset (NED) to create a hydrologically conditioned Digital Elevation Model (DEM) useful for modeling applications. The goals of the project are to create a hydrologically conditioned DEM and systematically extract a set of standard derivatives that can be used to facilitate data integration with other U.S. Geological Survey (USGS) framework data sets such as the National Hydrography Dataset (NHD) and the Watershed Boundaries Dataset (WBD).

  14. MCR Synthesis of Praziquantel Derivatives

    PubMed Central

    Liu, Haixia; William, Samia; Herdtweck, Eberhardt; Botros, Sanaa; Dömling, Alexander

    2013-01-01

    Schistosomiasis, a high volume neglected tropical disease affecting more than 200 million people worldwide, can only be effectively treated by the tetrahydroisoquinoline drug praziquantel (PZQ). Herein, we describe an efficient approach to access PZQ derivatives by the Ugi 4-component reaction followed by the Pictet-Spengler reaction in a two-step, one-pot procedure. 30 Novel PZQ derivatives are described based on the Ugi 4-component reaction and an X-ray structure of a novel derivative revealing different conformation compared with PZQ is discussed. Several analogues comparable in activity to the drug PZQ have been identified based on an in vitro Schistosoma mansoni worm viability assay. PMID:22151001

  15. Limonoid derivatives from Cedrelopsis grevei

    Microsoft Academic Search

    Dulcie Mulholland; Hamdani Mahomed; Maria Kotsos; Milijaona Randrianarivelojosia; Catherine Lavaud; Georges Massiot; Jean-Marc Nuzillard

    1999-01-01

    The stem bark of Cedrelopsis grevei has yielded ?-amyrin and two novel limonoid derivatives, the pentanortriterpenoid, cedmilinol, and the hexanortriterpenoid, cedmiline. Structures were elucidated using NMR analysis and the “Logic for Structure Determination” program.

  16. Bioactive Benzofuran derivatives: A review.

    PubMed

    Khanam, Hena; Shamsuzzaman

    2014-11-22

    In nature's collection of biologically active heterocycles, benzofuran derivatives constitute a major group. The broad spectrum of pharmacological activity in individual benzofurans indicates that this series of compounds is of an undoubted interest. Benzofuran and its derivatives have attracted medicinal chemists and pharmacologists due to their pronounced biological activities and their potential applications as pharmacological agents. Due to the wide range of biological activities of benzofurans, their structure activity relationships have generated interest among medicinal chemists, and this has culminated in the discovery of several lead molecules in numerous disease conditions. The outstanding development of benzofuran derivatives in diverse diseases in very short span of time proves its magnitude for medicinal chemistry research. The present review is endeavour to highlight the progress in the various pharmacological activities of benzofuran derivatives in the current literature with an update of recent research findings on this nucleus. PMID:25482554

  17. Organic derivatives of zirconium phosphate

    E-print Network

    Fine, Steven Beryl

    1980-01-01

    ORGANIC DERIVATIVES OF ZIRCONIUM PHOSPHATE A Thesis by STEVEN BERYL FINE Submitted to the Graduate College of Texas AAM University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE December 1980 Major Subject...: Chemistry ORGANIC DERIVATIVES OF ZIRCONIUM PHOSPHATE A Thesis by STEVEN BERYL FINE Approved as to style and content by: Dr. A raham Clearfield (c irman) Dr. Kurt Irgolic (member) 4~~@4 Dr. Martha Scott (member) Dr. C. S. Giam (department head...

  18. Radiative $?$ decays with derivative interactions

    E-print Network

    Francesco Giacosa; Giuseppe Pagliara

    2008-10-14

    We study the line shapes of radiative $\\phi$-decays involving virtual $f_{0}(980)$ and $a_{0}(980)$ mesons which decay, via derivative couplings, to $\\pi^{0}\\pi^{0}$ and $\\pi^{0}\\eta$ respectively. After developing the formalism for derivative interactions at one-loop level, we show that they can reproduce the measured peaked line shapes of $\\phi$-decays without including kaon loops.

  19. Di-, tetra- and hexanuclear iron(III), manganese(II/III) and copper(II) complexes of Schiff-base ligands derived from 6-substituted-2-formylphenols.

    PubMed

    Lan, Yanhua; Novitchi, Ghenadie; Clérac, Rodolphe; Tang, Jin-Kui; Madhu, N T; Hewitt, Ian J; Anson, Christopher E; Brooker, Sally; Powell, Annie K

    2009-03-14

    Acyclic Schiff base ligands, derived from the condensation of 2,3-disubstituted benzaldehydes and 1,3-diaminopropan-2-ol, react with iron(II/III), manganese(II/III) and copper(II) salts to give di-, tetra- and hexanuclear complexes [Fe(III)(2)(L5)(2)].2MeOH (), [Fe(III)(4)(mu(3)-OMe)(2)(HL4)(2)Cl(2)] (), [Mn(II)(2)Mn(III)(2)(micro-OMe)(2)(HL4)(2)(DMF)(2)].2DMF () and [Cu(II)(6)(L5)(2)(micro(5)-SO(4))(2)(micro-SO(4))(MeOH)(2)].H(2)O.15.5(MeOH).15.5(MeCN) (). All compounds have been characterised by X-ray crystallography. Variable-temperature solid-state dc magnetisation studies have been performed in the temperature range 1.8-300 K. Antiferromagnetic interactions are present in all the compounds. The dinuclear compound has a zero total spin ground state with J = -9.66(1) cm(-1) and g = 2.07(1). The magnetic data for the tetranuclear compounds and have been interpreted using a tetranuclear butterfly model (b = body, w = wingtip) with the parameters: J(wb) = -9.35(4) cm(-1), J(bb) = -6.02(7) cm(-1), zJ' = -0.21(4) cm(-1) and g = 2.03(1) for ; and J(wb) = -3.40(3) cm(-1), J(bb) = -8.11(7) cm(-1), zJ' = -0.042(2) cm(-1) and g = 2.0 (fixed) for . The hexanuclear compound contains two {Cu(3)(L5)(MeOH)} units linked by three sulfate ligands: antiferromagnetic interactions are present in each trinuclear unit leading to two S = 1/2 motifs which do not or only very weakly interact across the sulfate bridges. PMID:19240905

  20. 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...

  1. 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...

  2. 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...

  3. 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...

  4. 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...

  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. Spectral, magnetic, biocidal screening, DNA binding and photocleavage studies of mononuclear Cu(II) and Zn(II) metal complexes of tricoordinate heterocyclic Schiff base ligands of pyrazolone and semicarbazide\\/thiosemicarbazide based derivatives

    Microsoft Academic Search

    N. Raman; A. Selvan; P. Manisankar

    2010-01-01

    We depict the synthesis and characterization of copper(II) and zinc(II) coordination compounds of 4-(3?,4?-dimethoxybenzaldehydene)2-3-dimethyl-1-phenyl-3-pyrazolin-5-semicarbazone (1a), 4-(3?,4?-dimethoxybenzaldehydene)2-3-dimethyl-1-phenyl-3-pyrazolin-5-thiosemicarbazone (1b), 4-(3?-hydroxy-4?-nitrobenzaldehydene)2-3-dimeth yl-1-phenyl-3-pyrazolin-5-semicarbazone (1c) and 4-(3?-hydroxy-4?-nitrobenzal dehydene)2-3-dimethyl-1-phenyl-3-pyrazolin-5-thiosemicarbazone (1d). All the remote compounds have the general composition [ML2] (M=Cu(II) and Zn(II)); L=Schiff base (1a–1d). All the complexes were characterized by elemental analysis, molar conductivity, IR, 1H NMR, UV–vis, ESI-Mass, magnetic susceptibility measurements, cyclic voltammetric measurements,

  8. 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.

  9. 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

  10. 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.

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

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative, ammonium salt (generic). 721...721.10039 Diethoxybenzenamine derivative, diazotized, coupled with...

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

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 false Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative, ammonium salt (generic). 721...721.10039 Diethoxybenzenamine derivative, diazotized, coupled with...

  13. Quantum White Noise Derivatives and Implementation Problem

    E-print Network

    Obata, Nobuaki

    . . Quantum White Noise Derivatives and Implementation Problem On the occasion of thier 60th, 2009 Nobuaki Obata (GSIS, Tohoku University) Quantum White Noise Derivatives and Implementation Problem (GSIS, Tohoku University) Quantum White Noise Derivatives and Implementation Problem Fukuoka, November

  14. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 2014-07-01 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....

  15. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 2013-07-01 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....

  16. 18 CFR 1301.65 - Derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...2013-04-01 2012-04-01 true Derivative classification. 1301.65 Section...Classified Information § 1301.65 Derivative classification. (a) In accordance...apply to the source information, is derivative classification. (1)...

  17. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...2014-10-01 2014-10-01 false Derivative classification. 601.5 Section...NATIONAL SECURITY INFORMATION § 601.5 Derivative classification. Distinct...authority. (a) If a person who applies derivative classification markings...

  18. 40 CFR 721.9658 - Thiadiazole derivative.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 false Thiadiazole derivative. 721.9658 Section 721.9658...Substances § 721.9658 Thiadiazole derivative. (a) Chemical substance and significant...substance identified as a thiadiazole derivative (PMN P-94-1631) is subject...

  19. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...2011-10-01 2011-10-01 false Derivative classification. 601.5 Section...NATIONAL SECURITY INFORMATION § 601.5 Derivative classification. Distinct...authority. (a) If a person who applies derivative classification markings...

  20. 46 CFR 503.55 - Derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...2014-10-01 2014-10-01 false Derivative classification. 503.55 Section...Information Security Program § 503.55 Derivative classification. (a) In...apply to the source information, is derivative classification. (1)...

  1. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...2013-10-01 2013-10-01 false Derivative classification. 601.5 Section...NATIONAL SECURITY INFORMATION § 601.5 Derivative classification. Distinct...authority. (a) If a person who applies derivative classification markings...

  2. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 2012-07-01 false Bisphenol derivative. 721.1820 Section 721.1820...Substances § 721.1820 Bisphenol derivative. (a) Chemical substance and significant...substance identified generically as bisphenol derivative (PMN No. P-92-509) is...

  3. 46 CFR 503.55 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...2011-10-01 2011-10-01 false Derivative classification. 503.55 Section...Information Security Program § 503.55 Derivative classification. (a) In...apply to the source information, is derivative classification. (1)...

  4. 28 CFR 17.26 - Derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 2010-07-01 false Derivative classification. 17.26 Section...Classified Information § 17.26 Derivative classification. (a) Persons...classification guides. (b) Persons who apply derivative classification markings shall...

  5. 28 CFR 17.26 - Derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 2013-07-01 false Derivative classification. 17.26 Section...Classified Information § 17.26 Derivative classification. (a) Persons...classification guides. (b) Persons who apply derivative classification markings shall...

  6. 40 CFR 721.9658 - Thiadiazole derivative.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Thiadiazole derivative. 721.9658 Section 721.9658...Substances § 721.9658 Thiadiazole derivative. (a) Chemical substance and significant...substance identified as a thiadiazole derivative (PMN P-94-1631) is subject...

  7. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 2011-07-01 false Bisphenol derivative. 721.1820 Section 721.1820...Substances § 721.1820 Bisphenol derivative. (a) Chemical substance and significant...substance identified generically as bisphenol derivative (PMN No. P-92-509) is...

  8. 46 CFR 503.55 - Derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...2013-10-01 2013-10-01 false Derivative classification. 503.55 Section...Information Security Program § 503.55 Derivative classification. (a) In...apply to the source information, is derivative classification. (1)...

  9. 18 CFR 1301.65 - Derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...2012-04-01 2012-04-01 false Derivative classification. 1301.65 Section...Classified Information § 1301.65 Derivative classification. (a) In accordance...apply to the source information, is derivative classification. (1)...

  10. 46 CFR 503.55 - Derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...2012-10-01 2012-10-01 false Derivative classification. 503.55 Section...Information Security Program § 503.55 Derivative classification. (a) In...apply to the source information, is derivative classification. (1)...

  11. 32 CFR 2001.22 - Derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 2012-07-01 false Derivative classification. 2001.22 Section...Identification and Markings § 2001.22 Derivative classification. (a) General... (b) Identity of persons who apply derivative classification markings....

  12. 40 CFR 721.5913 - Phenothiazine derivative.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 false Phenothiazine derivative. 721.5913 Section 721.5913...Substances § 721.5913 Phenothiazine derivative. (a) Chemical substance and significant...identified generically as a phenothiazine derivative (PMN P-96-813) is subject...

  13. 40 CFR 721.5913 - Phenothiazine derivative.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 false Phenothiazine derivative. 721.5913 Section 721.5913...Substances § 721.5913 Phenothiazine derivative. (a) Chemical substance and significant...identified generically as a phenothiazine derivative (PMN P-96-813) is subject...

  14. 32 CFR 2001.22 - Derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 2013-07-01 false Derivative classification. 2001.22 Section...Identification and Markings § 2001.22 Derivative classification. (a) General... (b) Identity of persons who apply derivative classification markings....

  15. 32 CFR 2001.22 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 2011-07-01 false Derivative classification. 2001.22 Section...Identification and Markings § 2001.22 Derivative classification. (a) General... (b) Identity of persons who apply derivative classification markings....

  16. 46 CFR 503.55 - Derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...2010-10-01 2010-10-01 false Derivative classification. 503.55 Section...Information Security Program § 503.55 Derivative classification. (a) In...apply to the source information, is derivative classification. (1)...

  17. 28 CFR 17.26 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 2011-07-01 false Derivative classification. 17.26 Section...Classified Information § 17.26 Derivative classification. (a) Persons...classification guides. (b) Persons who apply derivative classification markings shall...

  18. 28 CFR 17.26 - Derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 2012-07-01 false Derivative classification. 17.26 Section...Classified Information § 17.26 Derivative classification. (a) Persons...classification guides. (b) Persons who apply derivative classification markings shall...

  19. 40 CFR 721.9658 - Thiadiazole derivative.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 false Thiadiazole derivative. 721.9658 Section 721.9658...Substances § 721.9658 Thiadiazole derivative. (a) Chemical substance and significant...substance identified as a thiadiazole derivative (PMN P-94-1631) is subject...

  20. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...2012-10-01 2012-10-01 false Derivative classification. 601.5 Section...NATIONAL SECURITY INFORMATION § 601.5 Derivative classification. Distinct...authority. (a) If a person who applies derivative classification markings...

  1. 45 CFR 601.5 - Derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...2010-10-01 2010-10-01 false Derivative classification. 601.5 Section...NATIONAL SECURITY INFORMATION § 601.5 Derivative classification. Distinct...authority. (a) If a person who applies derivative classification markings...

  2. 40 CFR 721.9658 - Thiadiazole derivative.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 false Thiadiazole derivative. 721.9658 Section 721.9658...Substances § 721.9658 Thiadiazole derivative. (a) Chemical substance and significant...substance identified as a thiadiazole derivative (PMN P-94-1631) is subject...

  3. 40 CFR 721.1820 - Bisphenol derivative.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 2010-07-01 false Bisphenol derivative. 721.1820 Section 721.1820...Substances § 721.1820 Bisphenol derivative. (a) Chemical substance and significant...substance identified generically as bisphenol derivative (PMN No. P-92-509) is...

  4. 32 CFR 2001.22 - Derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 2014-07-01 false Derivative classification. 2001.22 Section...Identification and Markings § 2001.22 Derivative classification. (a) General... (b) Identity of persons who apply derivative classification markings....

  5. 18 CFR 1301.65 - Derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...2014-04-01 2014-04-01 false Derivative classification. 1301.65 Section...Classified Information § 1301.65 Derivative classification. (a) In accordance...apply to the source information, is derivative classification. (1)...

  6. 40 CFR 721.5913 - Phenothiazine derivative.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 false Phenothiazine derivative. 721.5913 Section 721.5913...Substances § 721.5913 Phenothiazine derivative. (a) Chemical substance and significant...identified generically as a phenothiazine derivative (PMN P-96-813) is subject...

  7. 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.

  8. Informational derivation of quantum theory

    SciTech Connect

    Chiribella, Giulio; D'Ariano, Giacomo Mauro; Perinotti, Paolo [Perimeter Institute for Theoretical Physics, 31 Caroline Street North, Ontario, N2L 2Y5 (Canada); QUIT Group, Dipartimento di Fisica ''A. Volta'' and INFN Sezione di Pavia, via Bassi 6, I-27100 Pavia (Italy)

    2011-07-15

    We derive quantum theory 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 standard. One postulate - purification - singles out quantum theory within this class.

  9. Derived Categories of Coherent Sheaves

    Microsoft Academic Search

    Dmitri Orlov; Alexei Bondal

    2002-01-01

    We show how derived categories build bridges across the current mathematical mainstream, linking geometric and algebraic, commutative and noncommutative, local and global banks. Arches in these bridges are pieces of semiorthogonal decompositions of triangulated categories. To appear in the Proceedings of the ICM 2002 in Beijing.

  10. 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.

  11. Derived differential Dominic Joyce, Oxford.

    E-print Network

    Joyce, Dominic

    will describe a new class of geo- metric objects I call d-manifolds -- `derived' smooth manifolds. Some also fit in this framework. 2 #12;All these `invariants' theories have some common features: · You manifold of known dimension k. One defines a virtual class [M]vir in Hk(M; Q), which `counts' the points

  12. New hydrophobically modified carboxymethylcellulose derivatives

    Microsoft Academic Search

    D. Charpentier; G. Mocanu; A. Carpov; S. Chapelle; L. Merle; G. Müller

    1997-01-01

    New hydrophobically substituted carboxymethylcellulose derivatives with different percentages of modification by hexadecylamine (from 0.9 to 6% per monomeric unit acid group) were obtained by amidation of the carboxyl group by different methods. The percentage of modification (% HDA) was controlled by conductimetric titration and quantitative 13C NMR spectra on cellulase hydrolyzed oligomers. The least degradation (checked by GPC measurements), was

  13. Phenanthropyran derivatives from Phalaenopsis equestris.

    PubMed

    Manako, Y; Wake, H; Tanaka, T; Shimomura, K; Ishimaru, K

    2001-10-01

    Two phenanthropyran derivatives, 3-methoxy-2,7-dihydroxy-5H-phenanthro[4,5-bcd]pyran and 2,3,7-trihydroxy-5H-phenanthro[4,5-bcd]pyran were isolated from the orchid Phalaenopsis equestri. Their chemical structures were elucidated from spectroscopic (NMR, MS etc.) analyses. PMID:11576607

  14. Alchemical derivatives of reaction energetics

    NASA Astrophysics Data System (ADS)

    Sheppard, Daniel; Henkelman, Graeme; von Lilienfeld, O. Anatole

    2010-08-01

    Based on molecular grand canonical ensemble density functional theory, we present a theoretical description of how reaction barriers and enthalpies change as atoms in the system are subjected to alchemical transformations, from one element into another. The change in the energy barrier for the umbrella inversion of ammonia is calculated along an alchemical path in which the molecule is transformed into water, and the change in the enthalpy of protonation for methane is calculated as the molecule is transformed into a neon atom via ammonia, water, and hydrogen fluoride. Alchemical derivatives are calculated analytically from the electrostatic potential in the unperturbed system, and compared to numerical derivatives calculated with finite difference interpolation of the pseudopotentials for the atoms being transformed. Good agreement is found between the analytical and numerical derivatives. Alchemical derivatives are also shown to be predictive for integer changes in atomic numbers for oxygen binding to a 79 atom palladium nanoparticle, illustrating their potential use in gradient-based optimization algorithms for the rational design of catalysts.

  15. Deriving confinement via RG decimations

    E-print Network

    E. T. Tomboulis

    2007-10-10

    We present the general framework and building blocks of a recent derivation of the fact that the SU(2) LGT is in a confining phase for all values of the coupling $0 decimations that are shown to constrain the exact partition function and order parameters from above and below, and flow from the weak to the strong coupling regime without encountering a fixed point.

  16. Influence of lignocellulose-derived aromatic compounds on oxygen-limited growth and ethanolic fermentation by Saccharomyces cerevisiae

    Microsoft Academic Search

    Simona Larsson; Alexis Quintana-Sáinz; Andres Reimann; Nils-Olof Nilvebrant; Leif J. Jönsson

    2000-01-01

    Phenolic compounds released and generated during hydrolysis inhibit fermentation of lignocellulose hydrolysates to ethanol\\u000a by Saccharomyces cerevisiae. A wide variety of aromatic compounds form from lignin, which is partially degraded during acid hydrolysis of the lignocellulosic\\u000a raw material. Aromatic compounds may also form as a result of sugar degradation and dare present in wood as extractives. The\\u000a influence of hydroxy-methoxy-benzaldehydes,

  17. Position Estimation Using Image Derivative

    NASA Technical Reports Server (NTRS)

    Mortari, Daniele; deDilectis, Francesco; Zanetti, Renato

    2015-01-01

    This paper describes an image processing algorithm to process Moon and/or Earth images. The theory presented is based on the fact that Moon hard edge points are characterized by the highest values of the image derivative. Outliers are eliminated by two sequential filters. Moon center and radius are then estimated by nonlinear least-squares using circular sigmoid functions. The proposed image processing has been applied and validated using real and synthetic Moon images.

  18. 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

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. Fourth order spatial derivative gravity

    SciTech Connect

    Bemfica, F. S.; Gomes, M. [Instituto de Fisica, Universidade de Sao Paulo Caixa Postal 66318, 05315-970, Sao Paulo, SP (Brazil)

    2011-10-15

    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, one extra pole is obtained, corresponding to a spin-2 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 been shown to have no dynamics, remaining only the 2 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 nonpole 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.

  4. Development of the beta-pressure derivative

    E-print Network

    Hosseinpour-Zoonozi, Nima

    2007-04-25

    )/dln(t) derivative) provides an accurate and consistent mechanism for computing the primary pressure derivative (that is the Cartesian derivative, d? p/dt) as well as the "Bourdet" well testing derivative [that is the "semilog" derivative, ? pd(t)=d? p.... 1.3 Statement of the Problem The "Bourdet" well testing pressure derivative function [ref. 1, Bourdet et al] ? pd(t), is known to be a powerful mechanism for well test interpretation ? this is perhaps the most significant single development...

  5. Potential antimalarial derivatives from astraodorol.

    PubMed

    Nasomjai, Pitak; Arpha, Kittibhorn; Sodngam, Sirirath; Brandt, Simon D

    2014-12-01

    Astraodorol, a major lanostane-type triterpene isolated from the edible mushroom Astraeus odoratus, was subjected to chemical modifications. Ten derivatives have been synthesized and their biological activities were evaluated. Compounds 5, 6, 7a, 7c, 7e, 7f, and 7 g exhibited strong antimalarial activity with IC50 values of 4.85, 4.48, 4.16, 4.46, 3.45, 3.23, and 3.41 µg/mL, respectively. Compounds 7a, 7c, and 7e showed moderate cytotoxicity against NCI-H187 with IC50 values of 23.36, 34.28, and 9.84 µg/mL. Compound 7e demonstrated moderate cytotoxicity against KB, MCF-7, and Vero cell lines with IC50 values of 16.94, 49.60, and 26.48 µg/mL, respectively. PMID:24748514

  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. 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 ...

  8. Deriving Ephemeral Authentication Using Channel Axioms

    E-print Network

    Sheldon, Nathan D.

    Deriving Ephemeral Authentication Using Channel Axioms Dusko Pavlovic1 and Catherine Meadows2 1 of Mathematics/ISG. #12;Deriving Ephemeral Authentication Using Channel Axioms 239 of the information sent along

  9. 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.

  10. 17 CFR 200.506 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...Exchanges 2 2011-04-01 2011-04-01 false Derivative classification. 200.506 Section 200.506 Commodity...National Security Information and Material § 200.506 Derivative classification. Any document that includes...

  11. 5 CFR 2500.5 - Derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...Personnel 3 2011-01-01 2011-01-01 false Derivative classification. 2500.5 Section 2500.5 Administrative...PRESIDENT INFORMATION SECURITY REGULATION § 2500.5 Derivative classification. The Office of Administration serves...

  12. 5 CFR 2500.5 - Derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...Personnel 3 2010-01-01 2010-01-01 false Derivative classification. 2500.5 Section 2500.5 Administrative...PRESIDENT INFORMATION SECURITY REGULATION § 2500.5 Derivative classification. The Office of Administration serves...

  13. 17 CFR 200.506 - Derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...Exchanges 2 2010-04-01 2010-04-01 false Derivative classification. 200.506 Section 200.506 Commodity...National Security Information and Material § 200.506 Derivative classification. Any document that includes...

  14. 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...

  15. 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...

  16. 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...

  17. Stability derivatives of cones at supersonic speeds

    NASA Technical Reports Server (NTRS)

    Tobak, Murry; Wehrend, William R

    1956-01-01

    The aerodynamic stability derivatives due to pitching velocity and vertical acceleration are derived for circular cones traveling at supersonic speeds. Both first-order and a combination of first and second order potential solutions are obtained, and in calculations for the forces, no approximations are made to the tangency condition or the isentropic pressure relation. In addition, expressions for the forces, moments, and stability derivatives of arbitrary bodies of revolution are derived from Newtonian impact theory.

  18. Derived categories and their uses Bernhard Keller

    E-print Network

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

    1.1 Historical remarks Derived categories are a `formalism for hyperhomology' [61]. Used at first. Kashiwara [37]* *. Derived categories have now become the standard language of microlocal analysis (cf. [38 and Bernstein-Gelfand use* *d derived categories to establish a beautiful relation between coherent sheaves

  19. 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

  20. Improved Second Derivative Test for Relative Extrema

    ERIC Educational Resources Information Center

    Wu, Yan

    2007-01-01

    In this note, a modified Second Derivative Test is introduced for the relative extrema of a single variable function. This improved test overcomes the difficulty of the second derivative vanishing at the critical point, while in contrast the traditional test fails for this case. A proof for this improved Second Derivative Test is presented,…

  1. The Fourth Partial Derivative In Transport Dynamics

    E-print Network

    Trinh Khanh Tuoc

    2010-01-11

    A new fourth partial derivative is introduced for the study of transport dynamics. It is a Lagrangian partial derivative following the path of diffusion, not the path of convection. Use of this derivative decouples the effect of diffusion and convection and simplifies the analysis of transport processes.

  2. Structural design utilizing updated, approximate sensitivity derivatives

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1993-01-01

    A method to improve the computational efficiency of structural optimization algorithms is investigated. In this method, the calculations of 'exact' sensitivity derivatives of constraint functions are performed only at selected iterations during the optimization process. The sensitivity derivatives utilized within other iterations are approximate derivatives which are calculated using an inexpensive derivative update formula. Optimization results are presented for an analytic optimization problem (i.e., one having simple polynomial expressions for the objective and constraint functions) and for two structural optimization problems. The structural optimization results indicate that up to a factor of three improvement in computation time is possible when using the updated sensitivity derivatives.

  3. STS Derived Exploration Launch Operations

    NASA Technical Reports Server (NTRS)

    Best, Joel; Sorge, L.; Siders, J.; Sias, Dave

    2004-01-01

    A key aspect of the new space exploration programs will be the approach to optimize launch operations. A STS Derived Launch Vehicle (SDLV) Program can provide a cost effective, low risk, and logical step to launch all of the elements of the exploration program. Many benefits can be gained by utilizing the synergy of a common launch site as an exploration spaceport as well as evolving the resources of the current Space Shuttle Program (SSP) to meet the challenges of the Vision for Space Exploration. In particular, the launch operation resources of the SSP can be transitioned to the exploration program and combined with the operations efficiencies of unmanned EELVs to obtain the best of both worlds, resulting in lean launch operations for crew and cargo missions of the exploration program. The SDLV Program would then not only capture the extensive human space flight launch operations knowledge, but also provide for the safe fly-out of the SSP through continuity of system critical skills, manufacturing infrastructure, and ability to maintain and attract critical skill personnel. Thus, a SDLV Program can smoothly transition resources from the SSP and meet the transportation needs to continue the voyage of discovery of the space exploration program.

  4. 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.

  5. Animal-derived pharmaceutical proteins.

    PubMed

    Redwan, el-Rashdy M

    2009-01-01

    Livestock animals have made a significant contribution to human health and well-being throughout humankind's history. A significant contribution of farm animals to human health are the longstanding use of bovine and porcine for production of insulin (for treatment of diabetes), gelatin (for pharmaceutical and other purposes), as well as horse and sheep antibody against natural venoms, toxins, drugs and microbial peptides. Gelatin being the biggest animal protein consumed in human health, follows with antibodies fragments. The chronic problem of animal-derived therapeutics, especially those of high molecular weight, is the immunogenicity induction in addition to their biosafety. However, the invertebrates and lower vertebrates donate the human being a several crucial emergency saving life small-peptides or their analogs such as Refludan, Prialt, Exendin. Not only, but the farm animals are enormously using as models for novel surgical strategies, testing of biodegradable implants and sources of tissue replacements, such as skin and heart valves. Recently, they are being harnessing as bioreactor for production of biopharmaceutical related products through gene farming with efficiency far greater than any conventional microbial or cell-culture production systems. Only 16 transgenic cows would be covering the worldwide needs from human growth hormone. The transgenic, especially animal, technology would be solving a several biopharmaceutical products disadvantages, such as cost, biosafety, immunogenicity and the availability dimensions. PMID:19591041

  6. Unconventional fuel: Tire derived fuel

    SciTech Connect

    Hope, M.W. [Waste Recovery, Inc., Portland, OR (United States)

    1995-09-01

    Material recovery of scrap tires for their fuel value has moved from a pioneering concept in the early 1980`s to a proven and continuous use in the United States` pulp and paper, utility, industrial, and cement industry. Pulp and paper`s use of tire derived fuel (TDF) is currently consuming tires at the rate of 35 million passenger tire equivalents (PTEs) per year. Twenty mills are known to be burning TDF on a continuous basis. The utility industry is currently consuming tires at the rate of 48 million PTEs per year. Thirteen utilities are known to be burning TDF on a continuous basis. The cement industry is currently consuming tires at the rate of 28 million PTEs per year. Twenty two cement plants are known to be burning TDF on a continuous basis. Other industrial boilers are currently consuming tires at the rate of 6.5 million PTEs per year. Four industrial boilers are known to be burning TDF on a continuous basis. In total, 59 facilities are currently burning over 117 million PTEs per year. Although 93% of these facilities were not engineered to burn TDF, it has become clear that TDF has found acceptance as a supplemental fuel when blending with conventional fuels in existing combustion devices designed for normal operating conditions. The issues of TDF as a supplemental fuel and its proper specifications are critical to the successful development of this fuel alternative. This paper will focus primarily on TDF`s use in a boiler type unit.

  7. ?-Nitro Derivatives of Iron Corrolates

    PubMed Central

    Nardis, Sara; Stefanelli, Manuela; Mohite, Pruthviraj; Pomarico, Giuseppe; Tortora, Luca; Manowong, Machima; Chen, Ping; Fronczek, Frank R.; McCandless, Gregory T.

    2012-01-01

    Two different methods for the regioselective nitration of different meso-triarylcorroles leading to the corresponding ?-substituted nitrocorrole iron complexes have been developed. A two-step procedure affords three Fe(III) nitrosyl products - the unsubstituted corrole, the 3-nitrocorrole and the 3,17-dinitrocorrole. In contrast, a one-pot synthetic approach drives the reaction almost exclusively to formation of the iron nitrosyl 3,17-dinitrocorrole. Electron-releasing substituents on the meso-aryl groups of the triarylcorroles induce higher yields and longer reaction times than what is observed for the synthesis of similar triarylcorroles with electron-withdrawing functionalities, and these results can be confidently attributed to the facile formation and stabilization of an intermediate iron corrole ?-cation radical. Electron-withdrawing substituents on the meso-aryl groups of triarylcorrole also seem to labilize the axial nitrosyl group which, in the case of the pentafluorophenylcorrole derivative, results in the direct formation of a disubstituted iron ?-oxo dimer complex. The influence of meso-aryl substituents on the progress and products of the nitration reaction was investigated. In addition, to elucidate the most important factors which influence the redox reactivity of these different iron nitrosyl complexes, selected compounds were examined by cyclic voltammetry and thin-layer UV-visible or FTIR spectroelectrochemistry in CH2Cl2. PMID:22394192

  8. Satellite-Derived Management Zones

    NASA Technical Reports Server (NTRS)

    Lepoutre, Damien; Layrol, Laurent

    2005-01-01

    The term "satellite-derived management zones" (SAMZ) denotes agricultural management zones that are subdivisions of large fields and that are derived from images of the fields acquired by instruments aboard Earth-orbiting satellites during approximately the past 15 years. "SAMZ" also denotes the methodology and the software that implements the methodology for creating such zones. The SAMZ approach is one of several products of continuing efforts to realize a concept of precision agriculture, which involves optimal variations in seeding, in application of chemicals, and in irrigation, plus decisions to farm or not to farm certain portions of fields, all in an effort to maximize profitability in view of spatial and temporal variations in the growth and health of crops, and in the chemical and physical conditions of soils. As used here, "management zone" signifies, more precisely, a subdivision of a field within which the crop-production behavior is regarded as homogeneous. From the perspective of precision agriculture, management zones are the smallest subdivisions between which the seeding, application of chemicals, and other management parameters are to be varied. In the SAMZ approach, the main sources of data are the archives of satellite imagery that have been collected over the years for diverse purposes. One of the main advantages afforded by the SAMZ approach is that the data in these archives can be reused for purposes of precision agriculture at low cost. De facto, these archives contain information on all sources of variability within a field, including weather, crop types, crop management, soil types, and water drainage patterns. The SAMZ methodology involves the establishment of a Web-based interface based on an algorithm that generates management zones automatically and quickly from archival satellite image data in response to requests from farmers. A farmer can make a request by either uploading data describing a field boundary to the Web site or else drawing the boundary on a reference image. Hence, a farmer can start to engage in precision farming shortly after gaining access to the Web site, without the need for incurring the high costs of conventional precision-agriculture data-collection practices that include collecting soil samples, mapping electrical conductivity of soil, and compiling multiyear crop-yield data. Given the boundary of a field, a SAMZ server computes the zones within the field in a three-stage process. In the first stage, a vector-valued image of the field is constructed by assembling, from the archives, the equivalent of a stack of the available images of the field (see figure). In the second stage, the vector-valued image is analyzed by use of a wavelet transform that detects spatial variations considered significant for precision farming while suppressing small-scale heterogeneities that are regarded as insignificant. In the third stage, a segmentation algorithm assembles the zones from smaller regions that have been identified in the wavelet analysis.

  9. Derivation of quantum theories symmetries and the exact solution of the derived system

    E-print Network

    Khorrami, M; Alimohammadi, M

    1996-01-01

    Based on the technique of derivation of a theory, presented in our recent paper, we investigate the properties of the derived quantum system. We show that the derived quantum system possesses the (nonanomalous) symmetries of the original one, and prove that the exact Green functions of the derived theory are expressed in terms of the semiclassically approximated Green functions of the original theory.

  10. Plant-Derived Transfer DNAs

    PubMed Central

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

    2005-01-01

    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 0.8×10?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

  11. Drug laws and the 'derivative' problem.

    PubMed

    King, Leslie A; Ujváry, István; Brandt, Simon D

    2014-01-01

    The concept of a 'derivative' is used widely in chemistry, where its precise meaning depends on the circumstances. However, numerous examples of derivative also occur in domestic drugs legislation, some of which stem from the 1961 United Nations Single Convention on Narcotic Drugs. There is a commonly held view that only 'first-order' derivatives should be considered: substances that can be created from a parent structure in a single chemical reaction. In other words, 'derivatives of derivatives' are excluded. However, some substances related to ecgonine (e.g. 2-carbomethoxytropinone) are clearly convertible to cocaine, even though this may require more than one reaction step. It follows that 2-carbomethoxytropinone is a controlled drug, a situation that most chemists would regard as perverse. A more extreme example of the complexity of 'derivative' is shown by the conversion of thebaine to buprenorphine. Even though this requires six or more stages, the US Drug Enforcement Administration successfully argued in a 1986 case that for the purposes of the Controlled Substances Act, the number of steps required was irrelevant; buprenorphine was a derivative of thebaine. Because the term derivative is rarely defined in statutes, the legal status of some substances, such as 2-bromo-LSD, is uncertain. Although a number of definitions of derivative can be found in the chemical literature, no single definition is adequate to describe all situations where it occurs in legislation. Unless qualified, it is suggested that the term derivative should be avoided in any future legislation. PMID:23949903

  12. A newly synthesized thiazole derivative as a fluoride ion chemosensor: Naked-eye, spectroscopic, electrochemical and NMR studies

    NASA Astrophysics Data System (ADS)

    Sar?güney, Ahmet Burak; Saf, Ahmet Özgür; Co?kun, Ahmet

    2014-07-01

    2,3-Indoledione 3-thiosemicarbazone (TSCI) and a novel compound 3-(2-(4-(4-phenoxyphenyl)thiazol-2-yl)hydrazono)indolin-2-one (FTHI) were synthesized with high yield and characterized by spectroscopic techniques. The complexation behaviors of TSCI and FTHI for various anionic species (F-, Cl-, Br-, I-, NO2-, NO3-, BzO-, HSO4-, ClO4-) in CH3CN were investigated and compared by UV-vis spectroscopy, cyclic voltammetry and 1H NMR titration techniques. FTHI showed high degree of selectivity for fluoride over other anions. This selectivity could be easily observed by the naked eye, indicating that FTHI is potential colorimetric sensor for fluoride anion.

  13. Synthesis, X-ray, DFT and photophysical properties of some new ferrocenyl hydrazono thiazolidin-4-ones and their derivatives.

    PubMed

    Gautam, Deepika; Chaudhary, R P

    2015-05-15

    Cyclocondensation of thiosemicarbazone of 2-acetylferrocene with ?-haloacids and ?-haloketones afford new ferrocenyl hydrazono thiazolidin-4-ones and ferrocenyl hydrazono thiazoles respectively. Ferrocenyl hydrazono thiazolidin-4-one is easily converted into enamino ketone with N,N-dimethylformamide dimethyl acetal (DMF-DMA). The compounds were characterized by spectroscopic means and the structure of the new ferrocenyl hydrazono thiazolidin-4-one (3a) was determined by means of X-ray crystallography. The photophysical properties of these compounds were studied by means of UV/visible absorption spectroscopy and fluorescence spectroscopy. Density functional theory (DFT) calculations have been carried out with Gaussian 09W using B3LYP density functional method and 6-31G (d) basis set. (1)H and (13)C Nuclear Magnetic Resonance (NMR) have been calculated and correlated with experimental results. Antimicrobial activity studies of some new compounds have been reported. PMID:25733253

  14. 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

  15. Consistent pseudo-derivatives in meshless methods

    Microsoft Academic Search

    Y. Krongauz; T. Belytschko

    1997-01-01

    A meshless Petrov-Galerkin formulation is developed in which derivatives of the trial functions are obtained as a linear combination of derivatives of Shepard functions. A key contribution is the development of conditions on test functions and trial functions for nonintegrable pseudo-derivatives for Petrov-Galerkin method which pass the patch test. Numerical results show that the resulting method is substantially more accurate

  16. Extending Bauer's corollary to fractional derivatives

    E-print Network

    David W. Dreisigmeyer; Peter M. Young

    2004-02-11

    We comment on the method of Dreisigmeyer and Young [D. W. Dreisigmeyer and P. M. Young, J. Phys. A \\textbf{36}, 8297, (2003)] to model nonconservative systems with fractional derivatives. It was previously hoped that using fractional derivatives in an action would allow us to derive a single retarded equation of motion using a variational principle. It is proven that, under certain reasonable assumptions, the method of Dreisigmeyer and Young fails.

  17. Missile motion sensitivity to dynamic stability derivatives

    NASA Astrophysics Data System (ADS)

    Langham, T. F.

    1980-09-01

    A dynamic derivative sensitivity study was conducted to demonstrate the importance of dynamic derivatives in missile motion simulation studies. Generalized bank-to-turn and yaw-to-turn missile configurations were used with a six degree of freedom linearized stability program. The effects of various dynamic derivatives on missile stability were investigated in both level and turning flight for several Mach numbers and altitude conditions.

  18. Proceedings of refuse-derived fuel (RDF)

    SciTech Connect

    Saltiel, C. (Florida Univ., Gainesville, FL (United States))

    1991-01-01

    This book contains proceedings of Refuse-Derived Fuel (RDF)-Quality. Standards and Processing. Topics covered include: An Overview of RDF Processing Systems: Current Status, Design Features, and Future Trends. The Impact of Recycling and Pre-Combustion Processing of Municipal Solid Waste on Fuel Properties and Steam Combustion. The Changing Role of Standards in the Marketing of RDF. Refuse Derived Fuel Quality Requirements for Firing in Utility, Industrial or Dedicated Boilers. Refuse-Derived Fuel Moisture Effects on Boiler Performance and Operability. Refuse Derived Fuels: Technology, Processing, Quality and Combustion Experiences.

  19. Anisotropic higher derivative gravity and inflationary universe

    E-print Network

    W. F. Kao

    2006-05-21

    Stability analysis of the Kantowski-Sachs type universe in pure higher derivative gravity theory is studied in details. The non-redundant generalized Friedmann equation of the system is derived by introducing a reduced one dimensional generalized KS type action. This method greatly reduces the labor in deriving field equations of any complicate models. Existence and stability of inflationary solution in the presence of higher derivative terms are also studied in details. Implications to the choice of physical theories are discussed in details in this paper.

  20. 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.

  1. 75 FR 63113 - Financial Resources Requirements for Derivatives Clearing Organizations

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-14

    ...Financial Resources Requirements for Derivatives Clearing Organizations AGENCY: Commodity...financial resources requirements for derivatives clearing organizations (DCOs) for...execution requirements on standardized derivative products; (3) creating...

  2. Analysis of Blackbody Radiation with Derivative Spectroscopy.

    ERIC Educational Resources Information Center

    Dusek, J.; And Others

    1980-01-01

    Describes an undergraduate experiment which uses derivative spectroscopy to investigate the validity of the Planck function appearing in the blackbody radiation law. These measurements allow a critical examination of this function and also serve as an introduction to derivative spectroscopy techniques. (Author/HM)

  3. Derived categories and their uses Bernhard Keller

    E-print Network

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

    Universit´e Paris 7 75251 Paris Cedex 05 France keller@mathp7.jussieu.fr #12;1 Introduction 1.1 Historical differential equations by M. Sato [53] and M. Kashiwara [37]. Derived categories have now become the standard] and [3], Beilinson and Bernstein-Gelfand used derived categories to establish a beautiful relation

  4. Derived categories and their uses Bernhard Keller

    E-print Network

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

    Universit'e Paris 7 75251 Paris Cedex 05 France keller@mathp7.jussieu.fr #12; 1 Introduction 1.1 Historical differential equations by M. Sato [53] and M. Kashiwara [37]. Derived categories have now become the standard] and [3], Beilinson and Bernstein­Gelfand used derived categories to establish a beautiful relation

  5. 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.

  6. Biology-Derived Algorithms in Engineering Optimization

    E-print Network

    Yang, Xin-She

    2010-01-01

    Biology-derived algorithms are an important part of computational sciences, which are essential to many scientific disciplines and engineering applications. Many computational methods are derived from or based on the analogy to natural evolution and biological activities, and these biologically inspired computations include genetic algorithms, neural networks, cellular automata, and other algorithms.

  7. 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

  8. Optimal Derivative Strategies with Discrete Rebalancing

    Microsoft Academic Search

    Nicole Branger; Beate Breuer; Christian Schlag

    2008-01-01

    Optimal asset allocation strategies are often derived in continuous time models, but have to be implemented in discrete time. It has been shown that in models with stochastic volatility or jumps, an investor who just uses the continuous time strategy in discrete time has to trade at least daily to profit from having access to derivatives. In this paper, we

  9. UNIVERSITY OF SOUTH FLORIDA DERIVATIVES POLICY

    E-print Network

    Meyers, Steven D.

    risks by managing the asset-liability structure of the University, identifying responsible parties. The Policy requires the recognition of all derivatives as either assets or liabilities in the statement for the University for the management of corporate risk associated with derivative instruments and hedging activities

  10. Branching problems of Zuckerman derived functor modules

    E-print Network

    Kobayashi, Toshiyuki

    Branching problems of Zuckerman derived functor modules Dedicated to Gregg Zuckerman subgroups. Highlighting the case where the un- derlying (g, K)-modules of are isomorphic to Zuckerman, Zuckerman derived functor module, unitary representation, multiplicity-free representation 2010 MSC: Primary

  11. Derivational Morphology and Base Morpheme Frequency

    ERIC Educational Resources Information Center

    Ford, M. A.; Davis, M. H.; Marslen-Wilson, W. D.

    2010-01-01

    Morpheme frequency effects for derived words (e.g. an influence of the frequency of the base "dark" on responses to "darkness") have been interpreted as evidence of morphemic representation. However, it has been suggested that most derived words would not show these effects if family size (a type frequency count claimed to reflect semantic…

  12. Few Fractional Order Derivatives and Their Computations

    ERIC Educational Resources Information Center

    Bhatta, D. D.

    2007-01-01

    This work presents an introductory development of fractional order derivatives and their computations. Historical development of fractional calculus is discussed. This paper presents how to obtain computational results of fractional order derivatives for some elementary functions. Computational results are illustrated in tabular and graphical…

  13. Tilt/Integral/Derivative Compensators For Controllers

    NASA Technical Reports Server (NTRS)

    Lurie, Boris J.

    1995-01-01

    Tilt/integral/derivative (TID) compensators for tunable feedback control systems offer advantages over proportional/integral/derivative compensators. Designed and adjusted more easily, and made to reject disturbances more strongly and less sensitive to variations in parameters of controlled system.

  14. Understanding the Derivative through the Calculus Triangle

    ERIC Educational Resources Information Center

    Weber, Eric; Tallman, Michael; Byerley, Cameron; Thompson, Patrick W.

    2012-01-01

    Typical treatments of the derivative do not clearly convey the idea that the derivative function represents the original function's rate of change. Revealing the relationship between a function and its rate-of-change function for static values of "x" does not facilitate productive ways of thinking about generating the rate-of-change function or…

  15. Can material time derivative be objective?

    E-print Network

    T. Matolcsi; P. Van

    2005-10-10

    The concept of objectivity in classical field theories is traditionally based on time dependent Euclidean transformations. In this paper we treat objectivity in a four-dimensional setting, calculate Christoffel symbols of the spacetime transformations, and give covariant and material time derivatives. The usual objective time derivatives are investigated.

  16. Smoothing splines: Regression, derivatives and deconvolution

    NASA Technical Reports Server (NTRS)

    Rice, J.; Rosenblatt, M.

    1982-01-01

    The statistical properties of a cubic smoothing spline and its derivative are analyzed. It is shown that unless unnatural boundary conditions hold, the integrated squared bias is dominated by local effects near the boundary. Similar effects are shown to occur in the regularized solution of a translation-kernel intergral equation. These results are derived by developing a Fourier representation for a smoothing spline.

  17. 17 CFR 200.507 - Declassification dates on derivative documents.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... false Declassification dates on derivative documents. 200.507 Section 200...200.507 Declassification dates on derivative documents. (a) A document...need for classification. (b) A derivative document that derives its...

  18. 17 CFR 200.507 - Declassification dates on derivative documents.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... false Declassification dates on derivative documents. 200.507 Section 200...200.507 Declassification dates on derivative documents. (a) A document...need for classification. (b) A derivative document that derives its...

  19. 17 CFR 200.507 - Declassification dates on derivative documents.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... false Declassification dates on derivative documents. 200.507 Section 200...200.507 Declassification dates on derivative documents. (a) A document...need for classification. (b) A derivative document that derives its...

  20. 17 CFR 200.507 - Declassification dates on derivative documents.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... false Declassification dates on derivative documents. 200.507 Section 200...200.507 Declassification dates on derivative documents. (a) A document...need for classification. (b) A derivative document that derives its...

  1. 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.

  2. Theory of Financial Risk and Derivative Pricing

    NASA Astrophysics Data System (ADS)

    Bouchaud, Jean-Philippe; Potters, Marc

    2004-02-01

    Summarizing market data developments, some inspired by statistical physics, this book explains how to better predict the actual behavior of financial markets with respect to asset allocation, derivative pricing and hedging, and risk control. Risk control and derivative pricing are major concerns to financial institutions. The need for adequate statistical tools to measure and anticipate amplitude of potential moves of financial markets is clearly expressed, in particular for derivative markets. Classical theories, however, are based on assumptions leading to systematic (sometimes dramatic) underestimation of risks. First edition Hb (2000): 0-521-78232-5

  3. A direct derivative MC-SCF procedure

    NASA Astrophysics Data System (ADS)

    Yamamoto, Naoko; Vreven, Thom; Robb, Michael A.; Frisch, Michael J.; Bernhard Schlegel, H.

    1996-03-01

    A direct method for the computation of energy second derivatives, and first derivatives which require the solution of the coupled perturbed MC-SCF equations, is presented. The two-electron derivative integral transformation is formulated in terms of 3/4 transformed integrals. The optimum strategy for the solution of the CP-MCSCF linear equations involves the solution in a Krylov space that involves all the right-hand sides. The feasibility of the method is demonstrated in a computation on the excited states of indene, styrene and octatetraene.

  4. Synthesis of new polysialic acid derivatives.

    PubMed

    Su, Yi; Kasper, Cornelia; Kirschning, Andreas; Dräger, Gerald; Berski, Silke

    2010-09-01

    In this paper we report the first synthesis of novel polysialic acid derivatives which is initiated by treatment of polysialic acid with EDC-HCl to yield the inter-residual delta-lactone. Subsequent reaction with amines or hydrazine gives the corresponding polysialic acid amides and hydrazide. Alkylation of the tetrabutylammonium salt of polysialic acid yields polysialic acid esters. In contrast a variety of N-derivatives of polysialic acid can be prepared starting from deacetylated polysialic acid. The N-derivatives prepared in this communication can be used for the Cu-catalyzed as well as Cu-free "click" chemistry. PMID:20602419

  5. Synthesis of Hemigossypol and its Derivatives

    PubMed Central

    Wei, Jun; Vander Jagt, David L.; Royer, Robert E.; Deck, Lorraine M.

    2012-01-01

    Hemigossypol (3), a sesquiterpene natural product, was previously isolated from Gossypium barbadense and was shown to display improved anti-fungal activity compared to gossypol (1), the disesquiterpene dimer of hemigossypol (3). Gossypol exhibits multiple biological activities. In order to study whether hemigossypol and it derivatives retain the various bioactivities of gossypol, we developed a short and convenient synthetic scheme to synthesize hemigossypol. This is the first de novo synthesis of this natural product. In addition derivatives of hemigossypol with various 2,5-alkyl substituents were synthesized. Modification of the synthetic scheme also afforded the natural product hemigossylic lactone (4) and its 2,5-substituted derivatives. PMID:22837586

  6. Meson spectroscopy with derivative quark sources

    E-print Network

    Christof Gattringer; Leonid Ya. Glozman; C. B. Lang; Daniel Mohler; Sasa Prelovsek

    2007-09-27

    We present results for masses of light mesons obtained with the variational method using an enhanced basis of interpolating field operators with different quark smearings. The interpolators are constructed from Jacobi-smeared quarks of a Gaussian type as well as from derivative quark sources obtained by a covariant derivative acting on the Gaussian sources. For our analysis we use quenched gauge configurations with Chirally Improved quarks and the Luescher-Weisz gauge action on a 16^3 x 32 lattice with a = 0.148 fm. We discuss the influence of derivative sources on the overlap with excited states.

  7. 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.

  8. Cellulose Derivatives for Water Repellent Properties

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Synthesis and structural characterizations of nitro-benzyl cellulose, amino-benzyl cellulose and pentafluoro –benzyl cellulose were carried out. Cellulose derivatives were synthesized by etherification process in lithium chloride/N,N-dimethylacetamide homogeneous solution. Nitrobenzylation was effec...

  9. 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 ...

  10. Phytol-Derived Novel Isoprenoid Immunostimulants

    PubMed Central

    Chowdhury, Roshni Roy; Ghosh, Swapan K.

    2012-01-01

    This review describes the adjuvanticity of novel diterpenoids (synthetic phytol derivatives) compared to some commercially available adjuvants. The efficacy of the phytol-derived immunostimulants was evaluated in terms of their ability to activate innate immunity, amplify various antigen-specific immune responses, and engender immunological memory with no discernible adverse effects in both competent and immune-deficient mice. The profile that emerges out of these studies reveals that the phytol derivatives are excellent immunostimulants, superior to a number of commercial adjuvants in terms of long-term memory induction and activation of both innate and acquired immunity. Additionally, the phytol-derived compounds have no cumulative inflammatory or toxic effects even in immuno-compromised mice. PMID:22566931

  11. Polyimides Derived from Novel Asymmetric Benzophenone Dianhydrides

    NASA Technical Reports Server (NTRS)

    Chuang, Chun-Hua (Inventor)

    2015-01-01

    This invention relates to the composition and processes for preparing thermoset polyimides derived from an asymmetric dianhydride, namely 2,3,3',4'-benzophenone dianhydride (a-BTDA) with at least one diamine, and a monofunctional terminal endcaps. The monofunctional terminating groups include 4-phenylethynylphthalic anhydride ester-acid derivatives, phenylethyl trimellitic anhydride (PETA) and its ester derivatives as well as 3-phenylethynylaniline. The process of polyimide composite comprises impregnating monomer reactants of dianhydride or its ester-acid derivatives, diamine and with monofunctional reactive endcaps into glass, carbon, quartz or synthetic fibers and fabrics, and then stack up into laminates and subsequently heated to between 150-375.degree. C. either at atmosphere or under pressure to promote the curing and crosslinking of the reactive endcaps to form a network of thermoset polyimides.

  12. MANGROVE-DERIVED NUTRIENTS AND CORAL REEFS

    EPA Science Inventory

    Understanding the consequences of the declining global cover of mangroves due to anthropogenic disturbance necessitates consideration of how mangrove-derived nutrients contribute to threatened coral reef systems. We sampled potential sources of organic matter and a suite of sessi...

  13. DERIVED CATEGORIES OF CUBIC FOURFOLDS ALEXANDER KUZNETSOV

    E-print Network

    Tschinkel, Yuri

    DERIVED CATEGORIES OF CUBIC FOURFOLDS ALEXANDER KUZNETSOV Abstract. We discuss the structure in mathematics. 1 #12;2 ALEXANDER KUZNETSOV The "only if" part of the above is a special case of a more general

  14. Synthesis of 5-substituted uracil derivatives.

    PubMed

    Ressner, E C; Fraher, P; Edelman, M S; Mertes, M P

    1976-01-01

    The synthesis of a series of 5-substituted uracil derivatives is described. 5-Bromoacetyluracil (2a) was converted to the glycolyl (2b), glycyl (2c), N,N-dimethylglycyl (2d), 4-imidazolyl (3), and 2-amino-4-thiazolyl (4) derivatives. 5-Formyluracil (5) was used in the preparation of the 2-imidazolyl (6), the 3-acrylic acid (7b), the ester (7a), and the 3-N,N-dimethylacrylamide (8) derivatives. A Mannich reaction converted 5-acetyluracil to the amino ketone 9 which was reduced to give the 3-dimethylamino-1-propanol derivative 10. Compounds 2b,d,3,4,6, and 7b failed to inhibit the growth of Escherichia coli B and Staphylococcus aureus. PMID:1107549

  15. On Positive Functions with Positive Derivatives

    ERIC Educational Resources Information Center

    Dobbs, David E.

    2002-01-01

    Three proofs are given for the fact that the derivative of an everywhere-positive non-constant real polynomial function must change sign. This self-contained note could find classroom use in courses on calculus or abstract algebra.

  16. Real estate derivatives : products and prospects

    E-print Network

    Eisenberg, Oriel

    2013-01-01

    The paper reviews the development, structure and trade of past real estate equity hedging instruments. The reviewed products represent a wide array of real estate derivatives, covering multiple property types, index ...

  17. Derivatives of the Stochastic Growth Rate

    PubMed Central

    Steinsaltz, David; Tuljapurkar, Shripad; Horvitz, Carol

    2011-01-01

    We consider stochastic matrix models for population driven by random environments which form a Markov chain. The top Lyapunov exponent a, which describes the long-term growth rate, depends smoothly on the demographic parameters (represented as matrix entries) and on the parameters that define the stochastic matrix of the driving Markov chain. The derivatives of a — the “stochastic elasticities” — with respect to changes in the demographic parameters were derived by Tuljapurkar (1990). These results are here extended to a formula for the derivatives with respect to changes in the Markov chain driving the environments. We supplement these formulas with rigorous bounds on computational estimation errors, and with rigorous derivations of both the new and the old formulas. PMID:21463645

  18. 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.

  19. 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.

  20. Synthesis and biological activities of new substituted thiazoline-quinoline derivatives.

    PubMed

    Hussein, Mostafa A; Kafafy, Abdel-Hamid N; Abdel-Moty, Samia G; Abou-Ghadir, Ola Mohamed F

    2009-12-01

    5-Acyl-8-hydroxyquinoline-2-(3'-substituted-4'-aryl-2,3-dihydrothiazol-2'-ylidene)hydrazones, 5a-e to 10a-c, were prepared by the reaction of appropriate 5-acyl-8-hydroxyquinoline-4-substituted thiosemicarbazones 3a-e and phenacyl bromides 4a-e. Structures of the new compounds were verified on the basis of spectral and elemental analyses. Twenty-eight new compounds were tested for their possible antimicrobial activities. Most of the tested compounds showed weak to moderate antibacterial activity against most of the bacterial strains used in comparison with gatifloxacin as a reference drug. The test compounds showed weak to moderate antifungal activity against tested fungi in comparison with ketoconazole as a reference drug. On the other hand, the newly synthesized compounds were tested for their anti-inflammatory effects and most of them showed good to excellent anti-inflammatory activity compared to indomethacin. Moreover, ulcerogenicity and the median lethal dose (LD(50)) of the most active anti-inflammatory compounds 6b and 9e were determined in mice; they were non-toxic at doses up to 400 mg kg(-1) after i.p. administration. PMID:19919927

  1. Deriving Mathisson - Papapetrou equations from relativistic pseudomechanics

    E-print Network

    R. R. Lompay

    2005-03-12

    It is shown that the equations of motion of a test point particle with spin in a given gravitational field, so called Mathisson - Papapetrou equations, can be derived from Euler - Lagrange equations of the relativistic pseudomechanics -- relativistic mechanics, which side by side uses the conventional (commuting) and Grassmannian (anticommuting) variables. In this approach the known difficulties of the Mathisson - Papapetrou equations, namely, the problem of the choice of supplementary conditions and the problem of higher derivatives are not appear.

  2. On computing Laplace's coefficients and their derivatives.

    NASA Astrophysics Data System (ADS)

    Gerasimov, I. A.; Vinnikov, E. L.

    The algorithm of computing Laplace's coefficients and their derivatives is proposed with application of recurrent relations. The A.G.M.-method is used for the calculation of values L0(0), L0(1). The FORTRAN-program corresponding to the algorithm is given. The precision control was provided with numerical integrating by Simpsons method. The behavior of Laplace's coefficients and their third derivatives whith varying indices K, n for fixed values of the ?-parameter is presented graphically.

  3. Duality completion of higher derivative corrections

    E-print Network

    Hadi Godazgar; Mahdi Godazgar

    2013-07-22

    We present a new method for completing higher derivative corrections for theories that exhibit duality symmetries under reduction. This proposal is based on the observation that duality symmetry in the reduced theory highly constrains the form of the unreduced theory. We apply this idea to closed bosonic string theory and complete the Riemann squared term to simply derive the known full tree-level effective action to order alpha'.

  4. Cobalt-substituted derivatives of Carcinus hemocyanin

    Microsoft Academic Search

    Luigi Bubacco; Mariano Beltramini; Benedetto Salvato; Richard S. Magliozzo

    1990-01-01

    Summary Four derivatives ofCarcinus maenas hemocyanin containing Co(II) in the active site have been prepared under different experimental conditions. Two of them contain one Co(II) ion\\/active site and most probably represent isomeric forms containing Co(II) either in the ‘fast-reacting’ or in the ‘slow-reacting’ position within the active site. A third derivative contains two Co(II) ions active site, which reproduces the

  5. Dependency Structures Derived from Minimalist Grammars

    NASA Astrophysics Data System (ADS)

    Boston, Marisa Ferrara; Hale, John T.; Kuhlmann, Marco

    This paper provides an interpretation of Minimalist Grammars [16],[17] in terms of dependency structures. Under this interpretation, merge operations derive projective dependency structures, and movement operations introduce both non-projectivity and illnestedness. This new characterization of the generative capacity of Minimalist Grammar makes it possible to discuss the linguistic relevance of non-projectivity and illnestedness. This in turn provides insight into grammars that derive structures with these properties.

  6. Financial derivatives in power marketing: The basics

    SciTech Connect

    Ramesh, V.C.; Ghosh, K. [Illinois Inst. of Tech., Chicago, IL (United States). Dept. of Electrical and Computer Engineering

    1996-11-01

    With the ongoing changes in the power industry worldwide, electricity is beginning to be traded like other commodities. The use of financial derivative instruments in power markets is on the rise. The purpose of this paper is to explain the role of these derivatives in risk management which is vital for survival in the increasingly competitive industry. Starting with the familiar cash markets, the paper discusses the basics of futures, options, and swap markets as applied to electric energy trading.

  7. Resolution enhancement in second-derivative spectra.

    PubMed

    Czarnecki, Miros?aw A

    2015-01-01

    Derivative spectroscopy is a powerful tool for the resolution enhancement in infrared, near-infrared, Raman, ultraviolet-visible, nuclear magnetic resonance, electron paramagnetic resonance, and fluorescence spectroscopy. Despite its great significance in analytical chemistry, not all aspects of the applications of this method have been explored as yet. This is the first systematic study of the parameters that influence the resolution enhancement in the second derivative spectra. The derivative spectra were calculated with the Savitzky-Golay method with different window size (5, 15, 25) and polynomial order (2, 4). The results obtained in this work show that the resolution enhancement in the second derivative spectra strongly depends on the data spacing in the original spectra, window size, polynomial order, and peak profile. As shown, the resolution enhancement is related to variations in the width of the peaks upon the differentiation. The present study reveals that in order to maximize the separation of the peaks in the second derivative spectra, the original spectra should be recorded at high resolution and differentiated using a small window size and high polynomial order. However, working with the real spectra one has to compromise between the noise reduction and optimization of the resolution enhancement in the second derivative spectra. PMID:25499557

  8. 2-Hy­droxy-3-meth­oxy­benzaldehyde (o-vanillin) revisited

    PubMed Central

    Shin, David; Müller, Peter

    2012-01-01

    The structure of ortho-vanillin, C8H8O3, has been revisited with modern methods and at low temperature (100?K). The previous structure [Iwasaki et al. (1976 ?). Acta Cryst. B32, 1264–1266] is confirmed, but geometric precision is improved by an order of magnitude. The C atom of the meth­oxy group lies close to the benzene ring plane, which is the most common geometry for –OMe groups lying ortho to –OH groups on an aromatic ring. The crystal structure displays one intra­molecular O—H?O and three weak inter­molecular C—H?O hydrogen bonds. PMID:22904806

  9. 3-(2H-Benzotriazol-2-yl)-2-hydr­oxy-5-methyl­benzaldehyde

    PubMed Central

    Li, Chen-Yu; Tsai, Chen-Yen; Lin, Chia-Her; Ko, Bao-Tsan

    2010-01-01

    In the title compound, C14H11N3O2, the dihedral angle between the mean planes of the benzotriazole ring system and the benzene ring of the salicylaldehyde group is 2.4?(2)°. There is an intra­molecular O—H?N hydrogen bond which may influence the mol­ecular conformation. PMID:21580573

  10. Micropropagation of Hemidesmus indicus for cultivation and production of 2-hydroxy 4-methoxy benzaldehyde

    Microsoft Academic Search

    S. Sreekumar; S. Seeni; P. Pushpangadan

    2000-01-01

    Caulogenic responses of various explant types from 12-month-old plants of Hemidesmus indicus were tested. Second and third visible nodes (0.5 cm) from the apex and root segments (0.5 cm) were the most and least regenerative\\u000a respectively, with the formation of 9.37 and 2.6 shoots in 4 weeks on half strength MS medium supplemented with 2.22 ?M BA\\u000a and 1.07 ?M

  11. 4-Hy­droxy-3-meth­oxy­benzaldehyde 4-ethyl­thio­semicarbazone

    PubMed Central

    de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos

    2014-01-01

    In the crystal structure of the title compound, C11H15N3O2S, the C—N—N—C and C—N—C—C torsion angles involving the benzene ring and ethyl group are 11.91?(15) and 99.4?(2)°, respectively. An intra­molecular N—H?N hydrogen bond is observed. In the crystal, mol­ecules are linked via N—H?O and N—H?S hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along the a axis. PMID:25249915

  12. 4-Hy-droxy-3-meth-oxy-benzaldehyde 4-ethyl-thio-semicarbazone.

    PubMed

    de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos

    2014-08-01

    In the crystal structure of the title compound, C11H15N3O2S, the C-N-N-C and C-N-C-C torsion angles involving the benzene ring and ethyl group are 11.91?(15) and 99.4?(2)°, respectively. An intra-molecular N-H?N hydrogen bond is observed. In the crystal, mol-ecules are linked via N-H?O and N-H?S hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along the a axis. PMID:25249915

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

    E-print Network

    Walsh, Patrick J.

    an important diagnostic tool in mecha- nistic studies of asymmetric reactions.2 Such an observation is usually been proposed,2c and a central theme is the attribution of asymmetric amplification to the presence eecat is defined by the total concentrations of [R] and [S] ligands added to the system, as given by eq

  14. Crystallisation and crystal forms of carbohydrate derivatives

    NASA Astrophysics Data System (ADS)

    Lennon, Lorna

    This thesis is focused on the synthesis and solid state analysis of carbohydrate derivatives, including many novel compounds. Although the synthetic chemistry surrounding carbohydrates is well established in the literature, the crystal chemistry of carbohydrates is less well studied. Therefore this research aims to improve understanding of the solid state properties of carbohydrate derivatives through gaining more information on their supramolecular bonding. Chapter One focuses on an introduction to the solid state of organic compounds, with a background to crystallisation, including issues that can arise during crystal growth. Chapter Two is based on glucopyranuronate derivatives which are understudied in terms of their solid state forms. This chapter reports on the formation of novel glucuronamides and utilising the functionality of the amide bond for crystallisation. TEMPO oxidation was completed to form glucopyranuronates by oxidation of the primary alcohol groups of glucosides to the carboxylic acid derivatives, to increase functionality for enhanced crystal growth. Chapter Three reports on the synthesis of glucopyranoside derivatives by O-glycosylation reactions and displays crystal structures, including a number of previously unsolved acetate protected and deprotected crystal structures. More complex glycoside derivatives were also researched in an aim to study the resultant supramolecular motifs. Chapter Four contains the synthesis of aryl cellobioside derivatives including the novel crystal structures that were solved for the acetate protected and deprotected compounds. Research was carried out to determine if 1-deoxycellodextrins could act as putative isostructures for cellulose. Our research displays the presence of isostructural references with 1-deoxycellotriose shown to be similar to cellulose III11, 1-deoxycellotetraose correlates with cellulose IV11 and 1-deoxycellopentose shows isostructurality similar to that of cellulose II. Chapter Five contains the full experimental details and spectral characterisation of all novel compounds synthesised in this project and relevant crystallographic information.

  15. New steroid derivative with hypoglycemic activity

    PubMed Central

    Lauro, Figueroa-Valverde; Francisco, Díaz-Cedillo; Lenin, Hau-Heredia; Elodia, García-Cervera; Eduardo, Pool-Gómez; Marcela, Rosas-Nexticapa; Bety, Sarabia-Alcocer

    2014-01-01

    Data indicates that some steroid derivatives may induce changes on glucose levels; nevertheless, data are very confusing. Therefore, more pharmacological data are needed to characterize the activity induced by the steroid derivatives on glucose levels. The aim of this study was to synthesize a new steroid derivative for evaluate its hypoglycemic activity. The effects of steroid derivative on glucose concentration were evaluated in a diabetic animal model using glibenclamide and metformin as controls. In addition, the pregnenolone-dihydrotestosterone conjugate was bound to Tc-99m using radioimmunoassay methods, to evaluate the pharmacokinetics of the steroid derivative over time. The results showed that the pregnenolone-dihydrotestosterone conjugate induces changes on the glucose levels in similar form than glibenclamide. Other data showed that the biodistribution of Tc-99m-steroid derivativein brain was higher in comparison with spleen, stomach, intestine liver and kidney. In conclusion, the pregnenolone-dihydrotestosterone conjugate exerts hypoglycemic activity and this phenomenon could depend of its physicochemical properties which could be related to the degree of lipophilicity of the steroidderivative. PMID:25550906

  16. 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

  17. 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.

  18. Chromone Derivatives from a Sponge-Derived Strain of the Fungus Corynespora cassiicola.

    PubMed

    Zhao, Dong-Lin; Shao, Chang-Lun; Gan, Li-She; Wang, Mei; Wang, Chang-Yun

    2015-02-27

    Twelve new chromone derivatives, corynechromones A-L (1-12), were isolated from the sponge-derived fungus Corynespora cassiicola XS-200900I7. Among them, 1/2, 3/4, 5/6, and 7/8 were pairs of epimers. The planar structures were determined by extensive NMR spectroscopic data. The absolute configurations of 1-10 were assigned by the modified Mosher's method and TDDFT ECD calculations together with comparison of their CD spectra. These are the first chromone derivatives reported from the genus Corynespora. A possible rule to determine the absolute configurations at C-2 in chromone derivatives by CD was proposed. PMID:25594263

  19. 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.

  20. 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.

  1. Stratospheric Methane Derived from Aura MLS Measurements

    NASA Astrophysics Data System (ADS)

    Minschwaner, K. R.; Manney, G. L.; Lambert, A.; Pumphrey, H. C.; Walker, K. A.

    2011-12-01

    The stratospheric distribution of methane has been derived using measurements of water vapor, carbon monoxide, and nitrous oxide from the Microwave Limb Sounder (MLS) instrument on the Aura satellite. The method utilizes trace gas correlations and separation of air mass regimes based on measurements from the Atmospheric Chemistry Experiment - Fourier Transform Spectrometer (ACE-FTS) on the SCISAT I satellite. The reliable vertical extent of derived methane from MLS ranges from near the tropopause through the upper stratosphere, and covers all seasons and latitudes observed by MLS over the course of the Aura mission from 2004 to 2011. Methane distributions and their time evolution are compared to simulations from the SLIMCAT chemical transport model. Applications of the derived CH4 product include assessment of the CO photochemical budget, interpretation of the upper stratospheric ClO time series from MLS and the chlorine budget, and diagnosis of trace gas transport during polar vortex mixing events and stratospheric sudden warmings.

  2. Antimicrobial evaluation of some arylsulfanylpyrazinecarboxylic acid derivatives.

    PubMed

    Jampilek, Josef; Dolezal, Martin; Buchta, Vladimir

    2007-05-01

    The radical-ionic coupling of chloropyrazine-2-carboxylic acid derivatives with methoxybenzenethiols, carried out in the presence of a heterogeneous copper catalyst, provided the series of 6- or 5- or 3-(4-methoxyphenyl)sulfanyl-pyrazine-2-carboxylic acid derivatives as well as 6- or 5- or 3-(3-methoxyphenyl)sulfanylpyrazine-2-carboxylic acid derivatives. The prepared compounds were evaluated as potential antifungal agents and new antituberculotics. Their preliminary in vitro evaluation of antimycobacterial activity according to the international program with the Tuberculosis Antimicrobial Acquisition and Coordinating Facility (TAACF) is presented. Several compounds showed an interesting activity in the preliminary screening with a percentage growth inhibition of the virulent Mycobacterium tuberculosis H(37)Rv between 50 to 100% at the concentration 6.25 microg/mL. Structure-activity relationships among the chemical structure, the physical properties and the biological activities of the evaluated compounds are discussed in the article. PMID:17504199

  3. Increment of antimycobaterial activity on lichexanthone derivatives.

    PubMed

    Micheletti, Ana Camila; Honda, Neli Kika; Pavan, Fernando R; Leite, Clarice Q F; Matos, Maria de Fatima Cepa; Perdomo, Renata Trentin; Bogo, Danielle; Alcantara, Glaucia Braz; Beatriz, Adilson

    2013-11-01

    A new dihydropyranexanthone derived from the natural xanthone lichexanthone (1) was synthesised and, together with other 18 derivatives including ?-bromo and ?-aminoalkoxylxanthones (containing methyl, ethyl, propyl, tertbutylamino and piperidinyl moieties), were tested against Mycobacterium tuberculosis. Nine ?-aminoalkoxylxanthones showed good antimycobacterial activity, and their in vitro cytotoxicity was determined using VERO cells in order to calculate the selectivity index (SI). One of these nitrogenated xanthone derivatives showed very promising results, with MIC of 2.6 ?M and SI of 48. This MIC is comparable to values found in "first and second line" drugs commonly used to treat TB. In order to understand better about this compound, it was evaluated together with two other ones that showed good SI, against resistant clinical strains of M. tuberculosis to verify the existence of cross-resistance. A chemometrical approach was useful to establish a pattern of antitubercular activity among the group of ?-aminoalkoxylxanthones, according to some structural and chemical features. PMID:23106287

  4. Derived Product Imagery from GOES-8.

    NASA Astrophysics Data System (ADS)

    Hayden, Christopher M.; Wade, Gary S.; Schmit, Timothy J.

    1996-02-01

    Derived product imagery (DPI) is a method of presenting quantitative meteorological information, derived from satellite measurements, as a color-coded image at single-pixel resolution. Its intended use is as animated sequences to observe trends in the displayed quantities, which for the GOES-8 are total precipitable water, lifted index, and surface skin temperature. Those products are produced once per hour, over the continental United States and the Gulf of Mexico. This paper reviews the development of the DPI and details the algorithm used for GOES-8. The quality of the products is discussed, and an example is given. The greatest value of the DPI probably lies in comparing a sequence of the satellite product with a sequence derived from a numerical forecast. In this way, deviation of the forecast from reality is readily exposed.

  5. Xanthocidin derivatives as topoisomerase II? enzymatic inhibitors.

    PubMed

    Takeda, Shuso; Yaji, Kentaro; Matsumoto, Kenji; Amamoto, Toshiaki; Shindo, Mitsuru; Aramaki, Hironori

    2014-01-01

    Few studies have examined xanthocidin, a biotic isolated from Streptomyces xanthocidicus in 1966, because its supply is limited. Based on its chemical structure, xanthocidin has the potential to become a lead compound in the production of agrochemicals and anti-cancer drugs; however, it is unstable under both basic and acidic conditions. We recently established the total synthesis of xanthocidin using the FeCl3-mediated Nazarov reaction, and obtained two stable derivatives (#1 and #2). The results of the present study demonstrated that these derivatives exhibited the inhibitory activity of topoisomerase II?, known as a molecular target for cancer chemotherapy, and this was attributed to the respective exo-methylene ketone group without DNA intercalation. The results obtained also suggest that these derivatives may have value as lead compounds in the synthesis of topoisomerase II? inhibitors. PMID:24492731

  6. Dielectric transition of polyacrylonitrile derived carbon nanofibers

    NASA Astrophysics Data System (ADS)

    Li, Jiangling; Su, Shi; Zhou, Lei; Abbot, Andrew M.; Ye, Haitao

    2014-09-01

    The dielectric behavior of polyacrylonitrile derived carbon nanofibers formed at different carbonization temperatures was investigated using impedance spectroscopy. The impedance data are presented in the form of Cole-Cole plots and four equivalent electrical circuits are derived. It is found that by increasing carbonization temperature from 500 to 800 °C, a strong capacitive element in the parallel equivalent circuit is transformed into an inductive element, while the contact resistance and parallel resistance are significantly decreased. Along with the morphological and chemical structural evolution, respectively witnessed by scanning electron microscopy and Raman spectroscopy, the dielectric transition deduced from the transformation of electrical circuits can be correlated to the proposed microstructural changes of polyacrylonitrile derived carbon nanofibers and the interaction/interference among them.

  7. Gateaux and Frechet Derivative in Intuitionistic Fuzzy Normed Linear spaces

    E-print Network

    B. Dinda; T. K. Samanta; U. K. Bera

    2010-09-11

    Intuitionistic Fuzzy derivative, Intuitionistic Fuzzy Gateaux derivative, Intuitionistic Fuzzy Fr\\'{e}chet derivative are defined and a few of their properties are studied. The relation between Intuitionistic Fuzzy Gateaux derivative and Intuitionistic Fuzzy Fr\\'{e}chet derivative are emphasized.

  8. Halogenated coumarin derivatives as novel seed protectants.

    PubMed

    Brooker, N; Windorski, J; Bluml, E

    2008-01-01

    Development of new and improved antifungal compounds that are target-specific is backed by a strong Federal, public and commercial mandate. Many plant-derived chemicals have proven fungicidal properties, including the coumarins (1,2-Benzopyrone) found in a variety of plants such as clover, sweet woodruff and grasses. Preliminary research has shown the coumarins to be a highly active group of molecules with a wide range of antimicrobial activity against both fungi and bacteria. It is believed that these cyclic compounds behave as natural pesticidal defence molecules for plants and they represent a starting point for the exploration of new derivative compounds possessing a range of improved antifungal activity. Within this study, derivatives of coumarin that were modified with halogenated side groups were screened for their antifungal activity against a range of soil-borne plant pathogenic fungi. Fungi included in this in vitro screen included Macrophomina phaseolina (charcoal rot), Phytophthora spp. (damping off and seedling rot), Rhizoctonia spp. (damping off and root rot) and Pythium spp. (seedling blight), four phylogenetically diverse and economically important plant pathogens. Studies indicate that these halogenated coumarin derivatives work very effectively in vitro to inhibit fungal growth and some coumarin derivatives have higher antifungal activity and stability as compared to the original coumarin compound alone. The highly active coumarin derivatives are brominated, iodinated and chlorinated compounds and results suggest that besides being highly active, very small amounts can be used to achieve LD100 rates. In addition to the in vitro fungal inhibition assays, results of polymer seed coating compatibility and phytotoxicity testing using these compounds as seed treatments will also be reported. These results support additional research in this area of natural pesticide development. PMID:19226745

  9. D -split sequences and derived equivalences

    Microsoft Academic Search

    Wei Hu; Changchang Xi

    2011-01-01

    In this paper, we introduce the so-called D-split sequences and show that each D-split sequence gives rise to a derived equivalence via a tilting module. In particular, we obtain derived equivalences from Auslander–Reiten sequences via BB-tilting modules (or from n-almost split sequences via n-BB-tilting modules), and Auslander–Reiten triangles. Further, we recover n-almost split sequences from n-BB-tilting modules over n-Auslander algebras.

  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. Synthesis and antiplasmodial activity of lycorine derivatives.

    PubMed

    Cedrón, Juan C; Gutiérrez, David; Flores, Ninoska; Ravelo, Angel G; Estévez-Braun, Ana

    2010-07-01

    Twenty seven lycorine derivatives were prepared and evaluated for their in vitro antimalarial activity against chloroquine-sensitive strains of Plasmodium falciparum. The best antiplasmodial activities were achieved with lycorine derivatives that present free hydroxyl groups at C-1 and C-2 or esterified as acetates or isobutyrates. The double bond C-2-C-3 is also important for the activity. Concerning to the antiplasmodial activity of the secolycorines, the higher values were obtained with the replacement of the methylenedioxy moiety by hydroxyl or acetate groups and with methyl substituent attached to the nitrogen atom. PMID:20627737

  12. Geometric derivation of the quantum speed limit

    SciTech Connect

    Jones, Philip J.; Kok, Pieter [Department of Physics and Astronomy, University of Sheffield, Hicks Building, Hounsfield Road, Sheffield S3 7RH (United Kingdom)

    2010-08-15

    The Mandelstam-Tamm and Margolus-Levitin inequalities play an important role in the study of quantum-mechanical processes in nature since they provide general limits on the speed of dynamical evolution. However, to date there has been only one derivation of the Margolus-Levitin inequality. In this paper, alternative geometric derivations for both inequalities are obtained from the statistical distance between quantum states. The inequalities are shown to hold for unitary evolution of pure and mixed states, and a counterexample to the inequalities is given for evolution described by completely positive trace-preserving maps. The counterexample shows that there is no quantum speed limit for nonunitary evolution.

  13. Special Relativity Derived from Spacetime Magma

    PubMed Central

    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 and Euclidean 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 -algebras more generally. PMID:24959889

  14. Terpenes from Marine-Derived Fungi

    PubMed Central

    Ebel, Rainer

    2010-01-01

    Terpenes from marine-derived fungi show a pronounced degree of structural diversity, and due to their interesting biological and pharmacological properties many of them have aroused interest from synthetic chemists and the pharmaceutical industry alike. The aim of this paper is to give an overview of the structural diversity of terpenes from marine-derived fungi, highlighting individual examples of chemical structures and placing them in a context of other terpenes of fungal origin. Wherever possible, information regarding the biological activity is presented. PMID:20948911

  15. High ethanol producing derivatives of Thermoanaerobacter ethanolicus

    DOEpatents

    Ljungdahl, L.G.; Carriera, L.H.

    1983-05-24

    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).

  16. Elevation Derivatives for Mojave Desert Tortoise Habitat

    USGS Publications Warehouse

    Wallace, Cynthia S.A.; Gass, Leila

    2008-01-01

    This report describes the methods used to derive various elevation-derivative grids that were inputted to the Mojave Desert Tortoise Habitat model (L. Gass and others, unpub. data). These grids, which capture information on surface roughness and topographic characteristics, are a subset of the environmental datasets evaluated for the tortoise habitat model. This habitat model is of major importance to the U.S. Fish and Wildlife Service, which is charged with management of this threatened population, including relocating displaced tortoises to areas identified as suitable habitat.

  17. 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.

  18. New coumarin derivatives as carbonic anhydrase inhibitors.

    PubMed

    Karata?, Mert Olgun; Alici, Bülent; Cakir, Umit; Cetinkaya, Engin; Demir, Dudu; Ergün, Adem; Gençer, Nahit; Arslan, Oktay

    2014-06-01

    In the current study, a series of 4-chloromethyl-7-hydroxy-coumarin derivatives containing imidazolium, benzimidazolium, bisbenzimidazolium and quaternary ammonium salts were synthesized, characterized and the inhibition effects of the derivatives on human carbonic anhydrases (hCA I and hCA II) were investigated as in vitro. Structures of these coumarins were confirmed by FT-IR, (1)H NMR, (13)C NMR and LC-MS analyses. Structure activity relationship study showed that 3d (IC50: 79 ?M for hCA I and 88 ?M for hCA II) performed higher inhibitory activity than others. PMID:23656671

  19. SYNTHESIS AND CHARACTERIZATION OF SOME ORGANIC CARBONATES DERIVED FROM VEGETABLE OILS AND THEIR DERIVATIVES

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Vegetable oils, their derivatives, and glycerin represent renewable raw materials that are firmly established components in many industrial products. Their use continues to be of interest to many researchers and the development of approaches to functionalize these compounds to derive oleochemicals ...

  20. 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. ...

  1. 40 CFR 721.10317 - Alkyl phosphate derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 2013-07-01 false Alkyl phosphate derivative (generic). 721.10317...Chemical Substances § 721.10317 Alkyl phosphate derivative (generic). (a) Chemical...substance identified generically as alkyl phosphate derivative (PMN P-02-1040)...

  2. 40 CFR 721.10317 - Alkyl phosphate derivative (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 2014-07-01 false Alkyl phosphate derivative (generic). 721.10317...Chemical Substances § 721.10317 Alkyl phosphate derivative (generic). (a) Chemical...substance identified generically as alkyl phosphate derivative (PMN P-02-1040)...

  3. 32 CFR 2400.14 - Use of derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 2013-07-01 false Use of derivative classification. 2400.14 Section...TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM Derivative Classification § 2400.14 Use of derivative classification. (a)...

  4. 18 CFR 367.1750 - Account 175, Derivative instrument assets.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...2014-04-01 false Account 175, Derivative instrument assets. 367.1750...Assets § 367.1750 Account 175, Derivative instrument assets. This account must include the amounts paid for derivative instruments, and the change...

  5. 40 CFR 721.1760 - Substituted benzotriazole derivatives.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... false Substituted benzotriazole derivatives. 721.1760 Section 721.1760...721.1760 Substituted benzotriazole derivatives. (a) Chemical substances and significant...generically as substituted benzotriazole derivatives (PMNs P-93-374 and...

  6. 17 CFR 240.16a-4 - Derivative securities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...2014-04-01 2014-04-01 false Derivative securities. 240.16a-4 ...Securities Dealers § 240.16a-4 Derivative securities. (a) For purposes of section 16 of the Act, both derivative securities and the...

  7. 40 CFR 721.10324 - Thionocarbamate derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 false Thionocarbamate derivative (generic). 721.10324 Section...Substances § 721.10324 Thionocarbamate derivative (generic). (a) Chemical substance...identified generically as thionocarbamate derivative (PMN P-03-362) is subject...

  8. 40 CFR 721.5925 - Bis heterocyclic phenylene derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... false Bis heterocyclic phenylene derivative (generic). 721.5925 Section...5925 Bis heterocyclic phenylene derivative (generic). (a) Chemical substance...generically as bis heterocyclic phenylene derivative (PMN P-01-0432) is subject...

  9. 76 FR 43957 - Modifications of Certain Derivative Contracts

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-22

    ...1545-BK13 Modifications of Certain Derivative Contracts AGENCY: Internal Revenue...when there is an assignment of certain derivative contracts. The text of those regulations...that the transfer or assignment of a derivative contract in certain situations is...

  10. 40 CFR 721.9740 - Brominated triazine derivative.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 false Brominated triazine derivative. 721.9740 Section 721.9740... § 721.9740 Brominated triazine derivative. (a) Chemical substance and significant...generically as a brominated triazine derivative (PMN P-91-403) is subject...

  11. 40 CFR 721.646 - Aminofluoran derivative (generic name).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 false Aminofluoran derivative (generic name). 721.646 Section...Substances § 721.646 Aminofluoran derivative (generic name). (a) Chemical...identified generically as aminofluoran derivative (PMN P-95-512) is subject...

  12. 40 CFR 721.10172 - Alkylamide derivative (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 2011-07-01 false Alkylamide derivative (generic). 721.10172 Section...Substances § 721.10172 Alkylamide derivative (generic). (a) Chemical substance...identified generically as alkylamide derivative (PMN P-03-633) is subject...

  13. 40 CFR 721.10330 - Pyrazolone derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 2013-07-01 false Pyrazolone derivative (generic). 721.10330 Section...Substances § 721.10330 Pyrazolone derivative (generic). (a) Chemical substance...identified generically as pyrazolone derivative (PMN P-03-722) is subject...

  14. 40 CFR 721.2025 - Substituted phenylimino carbamate derivative.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Substituted phenylimino carbamate derivative. 721.2025 Section 721.2025... Substituted phenylimino carbamate derivative. (a) Chemical substance and significant...as a substituted phenylimino carbamate derivative (PMN P-91-487) is subject...

  15. 40 CFR 721.9079 - Dihydro quinacridone derivative (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Dihydro quinacridone derivative (generic). 721.9079 Section... § 721.9079 Dihydro quinacridone derivative (generic). (a) Chemical substance...identified generically as dihydro quinacridone derivative (PMN P-01-397) is subject...

  16. 40 CFR 721.10317 - Alkyl phosphate derivative (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Alkyl phosphate derivative (generic). 721.10317 Section...Substances § 721.10317 Alkyl phosphate derivative (generic). (a) Chemical substance...identified generically as alkyl phosphate derivative (PMN P-02-1040) is subject...

  17. 14 CFR 1203.500 - Use of derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...2011-01-01 2010-01-01 true Use of derivative classification. 1203.500 Section...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.500 Use of derivative classification. The...

  18. 40 CFR 721.1760 - Substituted benzotriazole derivatives.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... false Substituted benzotriazole derivatives. 721.1760 Section 721.1760...721.1760 Substituted benzotriazole derivatives. (a) Chemical substances and significant...generically as substituted benzotriazole derivatives (PMNs P-93-374 and...

  19. 40 CFR 721.646 - Aminofluoran derivative (generic name).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 false Aminofluoran derivative (generic name). 721.646 Section...Substances § 721.646 Aminofluoran derivative (generic name). (a) Chemical...identified generically as aminofluoran derivative (PMN P-95-512) is subject...

  20. 18 CFR 367.1750 - Account 175, Derivative instrument assets.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...2011-04-01 false Account 175, Derivative instrument assets. 367.1750...Assets § 367.1750 Account 175, Derivative instrument assets. This account must include the amounts paid for derivative instruments, and the change...

  1. 32 CFR 2400.14 - Use of derivative classification.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 2011-07-01 false Use of derivative classification. 2400.14 Section...TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM Derivative Classification § 2400.14 Use of derivative classification. (a)...

  2. 18 CFR 367.2440 - Account 244, Derivative instrument liabilities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...2013-04-01 false Account 244, Derivative instrument liabilities. 367.2440...Liabilities § 367.2440 Account 244, Derivative instrument liabilities. This account...the change in the fair value of all derivative instrument liabilities not...

  3. 40 CFR 721.1760 - Substituted benzotriazole derivatives.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... false Substituted benzotriazole derivatives. 721.1760 Section 721.1760...721.1760 Substituted benzotriazole derivatives. (a) Chemical substances and significant...generically as substituted benzotriazole derivatives (PMNs P-93-374 and...

  4. 40 CFR 721.646 - Aminofluoran derivative (generic name).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 false Aminofluoran derivative (generic name). 721.646 Section...Substances § 721.646 Aminofluoran derivative (generic name). (a) Chemical...identified generically as aminofluoran derivative (PMN P-95-512) is subject...

  5. 40 CFR 721.10368 - Triphenodioxazine derivatives (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Triphenodioxazine derivatives (generic). 721.10368 Section... § 721.10368 Triphenodioxazine derivatives (generic). (a) Chemical substance...identified generically as triphenodioxazine derivatives (PMN P-10-84) is subject...

  6. 40 CFR 721.5925 - Bis heterocyclic phenylene derivative (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... false Bis heterocyclic phenylene derivative (generic). 721.5925 Section...5925 Bis heterocyclic phenylene derivative (generic). (a) Chemical substance...generically as bis heterocyclic phenylene derivative (PMN P-01-0432) is subject...

  7. 14 CFR 1203.501 - Applying derivative classification markings.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...2011-01-01 2010-01-01 true Applying derivative classification markings. 1203.501...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.501 Applying derivative classification markings. Persons...

  8. 12 CFR 3.34 - OTC derivative contracts.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false OTC derivative contracts. 3.34 Section 3...General Credit Risk § 3.34 OTC derivative contracts. (a) Exposure amount —(1) Single OTC derivative contract. Except as modified...

  9. 18 CFR 367.2440 - Account 244, Derivative instrument liabilities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...2010-04-01 false Account 244, Derivative instrument liabilities. 367.2440...Liabilities § 367.2440 Account 244, Derivative instrument liabilities. This account...the change in the fair value of all derivative instrument liabilities not...

  10. 40 CFR 721.9079 - Dihydro quinacridone derivative (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 false Dihydro quinacridone derivative (generic). 721.9079 Section... § 721.9079 Dihydro quinacridone derivative (generic). (a) Chemical substance...identified generically as dihydro quinacridone derivative (PMN P-01-397) is subject...

  11. 40 CFR 721.9079 - Dihydro quinacridone derivative (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 false Dihydro quinacridone derivative (generic). 721.9079 Section... § 721.9079 Dihydro quinacridone derivative (generic). (a) Chemical substance...identified generically as dihydro quinacridone derivative (PMN P-01-397) is subject...

  12. 32 CFR 2400.14 - Use of derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 2014-07-01 false Use of derivative classification. 2400.14 Section...TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM Derivative Classification § 2400.14 Use of derivative classification. (a)...

  13. 78 FR 66639 - Modifications of Certain Derivative Contracts

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-06

    ...1545-BK13 Modifications of Certain Derivative Contracts AGENCY: Internal Revenue...the transfer or assignment of certain derivative contracts. The final regulations provide...to the nonassigning counterparty to a derivative contract and an assignee on...

  14. 14 CFR 1203.500 - Use of derivative classification.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...2013-01-01 2013-01-01 false Use of derivative classification. 1203.500 Section...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.500 Use of derivative classification. The...

  15. 40 CFR 721.2025 - Substituted phenylimino carbamate derivative.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Substituted phenylimino carbamate derivative. 721.2025 Section 721.2025... Substituted phenylimino carbamate derivative. (a) Chemical substance and significant...as a substituted phenylimino carbamate derivative (PMN P-91-487) is subject...

  16. 18 CFR 367.2440 - Account 244, Derivative instrument liabilities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...2011-04-01 false Account 244, Derivative instrument liabilities. 367.2440...Liabilities § 367.2440 Account 244, Derivative instrument liabilities. This account...the change in the fair value of all derivative instrument liabilities not...

  17. 40 CFR 721.2025 - Substituted phenylimino carbamate derivative.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Substituted phenylimino carbamate derivative. 721.2025 Section 721.2025... Substituted phenylimino carbamate derivative. (a) Chemical substance and significant...as a substituted phenylimino carbamate derivative (PMN P-91-487) is subject...

  18. 40 CFR 721.5925 - Bis heterocyclic phenylene derivative (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... false Bis heterocyclic phenylene derivative (generic). 721.5925 Section...5925 Bis heterocyclic phenylene derivative (generic). (a) Chemical substance...generically as bis heterocyclic phenylene derivative (PMN P-01-0432) is subject...

  19. 18 CFR 367.1750 - Account 175, Derivative instrument assets.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...2013-04-01 false Account 175, Derivative instrument assets. 367.1750...Assets § 367.1750 Account 175, Derivative instrument assets. This account must include the amounts paid for derivative instruments, and the change...

  20. 14 CFR 1203.500 - Use of derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...2010-01-01 2010-01-01 false Use of derivative classification. 1203.500 Section...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.500 Use of derivative classification. The...

  1. 14 CFR 1203.500 - Use of derivative classification.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...2012-01-01 2012-01-01 false Use of derivative classification. 1203.500 Section...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.500 Use of derivative classification. The...

  2. 40 CFR 721.9079 - Dihydro quinacridone derivative (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Dihydro quinacridone derivative (generic). 721.9079 Section... § 721.9079 Dihydro quinacridone derivative (generic). (a) Chemical substance...identified generically as dihydro quinacridone derivative (PMN P-01-397) is subject...

  3. 40 CFR 721.10172 - Alkylamide derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 2013-07-01 false Alkylamide derivative (generic). 721.10172 Section...Substances § 721.10172 Alkylamide derivative (generic). (a) Chemical substance...identified generically as alkylamide derivative (PMN P-03-633) is subject...

  4. 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 ...

  5. 40 CFR 721.10368 - Triphenodioxazine derivatives (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 false Triphenodioxazine derivatives (generic). 721.10368 Section... § 721.10368 Triphenodioxazine derivatives (generic). (a) Chemical substance...identified generically as triphenodioxazine derivatives (PMN P-10-84) is subject...

  6. 76 FR 51878 - Modifications of Certain Derivative Contracts; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-19

    ...1545-BK14 Modifications of Certain Derivative Contracts; Correction AGENCY: Internal...a transfer or assignment of certain derivative contracts does not result in an exchange...clearinghouse transfers or assigns a derivative contract to another dealer in...

  7. 40 CFR 721.5925 - Bis heterocyclic phenylene derivative (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... false Bis heterocyclic phenylene derivative (generic). 721.5925 Section...5925 Bis heterocyclic phenylene derivative (generic). (a) Chemical substance...generically as bis heterocyclic phenylene derivative (PMN P-01-0432) is subject...

  8. 18 CFR 367.1750 - Account 175, Derivative instrument assets.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...2012-04-01 false Account 175, Derivative instrument assets. 367.1750...Assets § 367.1750 Account 175, Derivative instrument assets. This account must include the amounts paid for derivative instruments, and the change...

  9. 40 CFR 721.1760 - Substituted benzotriazole derivatives.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... false Substituted benzotriazole derivatives. 721.1760 Section 721.1760...721.1760 Substituted benzotriazole derivatives. (a) Chemical substances and significant...generically as substituted benzotriazole derivatives (PMNs P-93-374 and...

  10. 40 CFR 721.10672 - Sodium olefin sulfonate derivative (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Sodium olefin sulfonate derivative (generic). 721.10672 Section...721.10672 Sodium olefin sulfonate derivative (generic). (a) Chemical substances...generically as sodium olefin sulfonate derivative (PMNs P-09-447 and...

  11. 40 CFR 721.9079 - Dihydro quinacridone derivative (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2013-07-01 false Dihydro quinacridone derivative (generic). 721.9079 Section... § 721.9079 Dihydro quinacridone derivative (generic). (a) Chemical substance...identified generically as dihydro quinacridone derivative (PMN P-01-397) is subject...

  12. 18 CFR 367.2440 - Account 244, Derivative instrument liabilities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...2014-04-01 false Account 244, Derivative instrument liabilities. 367.2440...Liabilities § 367.2440 Account 244, Derivative instrument liabilities. This account...the change in the fair value of all derivative instrument liabilities not...

  13. 40 CFR 721.10172 - Alkylamide derivative (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 2010-07-01 false Alkylamide derivative (generic). 721.10172 Section...Substances § 721.10172 Alkylamide derivative (generic). (a) Chemical substance...identified generically as alkylamide derivative (PMN P-03-633) is subject...

  14. 17 CFR 240.16a-4 - Derivative securities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...2013-04-01 2013-04-01 false Derivative securities. 240.16a-4 ...Securities Dealers § 240.16a-4 Derivative securities. (a) For purposes of section 16 of the Act, both derivative securities and the...

  15. 40 CFR 721.9740 - Brominated triazine derivative.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Brominated triazine derivative. 721.9740 Section 721.9740... § 721.9740 Brominated triazine derivative. (a) Chemical substance and significant...generically as a brominated triazine derivative (PMN P-91-403) is subject...

  16. 76 FR 51878 - Modifications of Certain Derivative Contracts; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-19

    ...1545-BK14 Modifications of Certain Derivative Contracts; Correction AGENCY: Internal...a transfer or assignment of certain derivative contracts does not result in an exchange...1001-4T Modifications of certain derivative contracts...

  17. 18 CFR 367.2440 - Account 244, Derivative instrument liabilities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...2012-04-01 false Account 244, Derivative instrument liabilities. 367.2440...Liabilities § 367.2440 Account 244, Derivative instrument liabilities. This account...the change in the fair value of all derivative instrument liabilities not...

  18. 12 CFR 217.34 - OTC derivative contracts.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false OTC derivative contracts. 217.34 Section 217...General Credit Risk § 217.34 OTC derivative contracts. (a) Exposure amount —(1) Single OTC derivative contract. Except as modified...

  19. 40 CFR 721.10172 - Alkylamide derivative (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 2012-07-01 false Alkylamide derivative (generic). 721.10172 Section...Substances § 721.10172 Alkylamide derivative (generic). (a) Chemical substance...identified generically as alkylamide derivative (PMN P-03-633) is subject...

  20. 32 CFR 2400.14 - Use of derivative classification.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...2010-07-01 2010-07-01 false Use of derivative classification. 2400.14 Section...TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM Derivative Classification § 2400.14 Use of derivative classification. (a)...

  1. 17 CFR 240.16a-4 - Derivative securities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...2012-04-01 2012-04-01 false Derivative securities. 240.16a-4 ...Securities Dealers § 240.16a-4 Derivative securities. (a) For purposes of section 16 of the Act, both derivative securities and the...

  2. 14 CFR 1203.500 - Use of derivative classification.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false Use of derivative classification. 1203.500 Section...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.500 Use of derivative classification. (a)...

  3. 75 FR 78185 - Information Management Requirements for Derivatives Clearing Organizations

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-15

    ...Information Management Requirements for Derivatives Clearing Organizations AGENCY: Commodity...implement certain core principles for derivatives clearing organizations (DCOs) as amended...execution requirements on standardized derivative products; (3) creating...

  4. 40 CFR 721.646 - Aminofluoran derivative (generic name).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Aminofluoran derivative (generic name). 721.646 Section...Substances § 721.646 Aminofluoran derivative (generic name). (a) Chemical...identified generically as aminofluoran derivative (PMN P-95-512) is subject...

  5. 40 CFR 721.10368 - Triphenodioxazine derivatives (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Triphenodioxazine derivatives (generic). 721.10368 Section... § 721.10368 Triphenodioxazine derivatives (generic). (a) Chemical substance...identified generically as triphenodioxazine derivatives (PMN P-10-84) is subject...

  6. 14 CFR 1203.501 - Applying derivative classification markings.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...2012-01-01 2012-01-01 false Applying derivative classification markings. 1203.501...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.501 Applying derivative classification markings. Persons...

  7. 14 CFR 1203.501 - Applying derivative classification markings.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false Applying derivative classification markings. 1203.501...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.501 Applying derivative classification markings. Persons...

  8. 76 FR 43892 - Modifications of Certain Derivative Contracts

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-22

    ...1545-BK14 Modifications of Certain Derivative Contracts AGENCY: Internal Revenue...a transfer or assignment of certain derivative contracts does not result in an exchange...necessitate the movement of entire books of derivative contracts. In particular, there...

  9. 18 CFR 367.1750 - Account 175, Derivative instrument assets.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...2010-04-01 false Account 175, Derivative instrument assets. 367.1750...Assets § 367.1750 Account 175, Derivative instrument assets. This account must include the amounts paid for derivative instruments, and the change...

  10. 40 CFR 721.9740 - Brominated triazine derivative.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...2011-07-01 false Brominated triazine derivative. 721.9740 Section 721.9740... § 721.9740 Brominated triazine derivative. (a) Chemical substance and significant...generically as a brominated triazine derivative (PMN P-91-403) is subject...

  11. 14 CFR 1203.501 - Applying derivative classification markings.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...2013-01-01 2013-01-01 false Applying derivative classification markings. 1203.501...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.501 Applying derivative classification markings. Persons...

  12. 12 CFR 324.34 - OTC derivative contracts.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...2014-01-01 2014-01-01 false OTC derivative contracts. 324.34 Section 324...General Credit Risk § 324.34 OTC derivative contracts. (a) Exposure amount —(1) Single OTC derivative contract. Except as modified...

  13. 17 CFR 240.16a-4 - Derivative securities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...2011-04-01 2011-04-01 false Derivative securities. 240.16a-4 ...Securities Dealers § 240.16a-4 Derivative securities. (a) For purposes of section 16 of the Act, both derivative securities and the...

  14. 40 CFR 721.2025 - Substituted phenylimino carbamate derivative.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Substituted phenylimino carbamate derivative. 721.2025 Section 721.2025... Substituted phenylimino carbamate derivative. (a) Chemical substance and significant...as a substituted phenylimino carbamate derivative (PMN P-91-487) is subject...

  15. 17 CFR 240.16a-4 - Derivative securities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...2010-04-01 2010-04-01 false Derivative securities. 240.16a-4 ...Securities Dealers § 240.16a-4 Derivative securities. (a) For purposes of section 16 of the Act, both derivative securities and the...

  16. 40 CFR 721.10330 - Pyrazolone derivative (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 2012-07-01 false Pyrazolone derivative (generic). 721.10330 Section...Substances § 721.10330 Pyrazolone derivative (generic). (a) Chemical substance...identified generically as pyrazolone derivative (PMN P-03-722) is subject...

  17. 14 CFR 1203.501 - Applying derivative classification markings.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...2010-01-01 2010-01-01 false Applying derivative classification markings. 1203.501...ADMINISTRATION INFORMATION SECURITY PROGRAM Derivative Classification § 1203.501 Applying derivative classification markings. Persons...

  18. Introduction Aliphatic polyesters derived from renewable

    E-print Network

    Introduction Aliphatic polyesters derived from renewable resources are of increasing interest of these polyesters are already commercially produced in bacteria under nutrient-limited conditions; however of polyesters by ring-opening polymerization. For example, -valerolactone can be obtained in high yield from low

  19. Derivation of the Ideal Gas Law

    ERIC Educational Resources Information Center

    Laugier, Alexander; Garai, Jozsef

    2007-01-01

    Undergraduate and graduate physics and chemistry books usually state that combining the gas laws results in the ideal gas law. Leaving the derivation to the students implies that this should be a simple task, most likely a substitution. Boyle's law, Charles's law, and the Avogadro's principle are given under certain conditions; therefore, direct…

  20. 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

  1. Effects of artemisinin derivatives on malaria transmissibility

    Microsoft Academic Search

    R. N Price; F Nosten; C Luxemburger; F. O ter Kuile; L Paiphun; T Chongsuphajaisiddhi; N. J White

    1996-01-01

    SummaryBackground On the western border of Thailand the efficacy of mefloquine in the treatment of falciparum malaria has declined while gametocyte carriage rates have increased, which suggests increased transmissibility of these resistant infections. We compared the following antimalarial drugs in relation to subsequent Plasmodium falciparum gametocyte carriage: mefloquine, halofantrine, quinine, and the artemisinin derivatives.Methods Between 1990 and 1995 we assessed

  2. CORRESPONDENCE Brain-Derived Neurotrophic Factor, Serotonin

    E-print Network

    Kalueff, Allan V.

    on the role of BDNF in depression, with both antidepressant and pro- depressant effects described (seeCORRESPONDENCE Brain-Derived Neurotrophic Factor, Serotonin Transporter, and Depression: Comment) have recently been implicated in depression (Caspi et al. 2003; Kaufman et al. 2004) and depression

  3. Cellulose Derivatives for Water Repellent Properties

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In this poster presentation, we will discuss the synthesis and structural characterizations of nitro-benzyl cellulose (1), amino-benzyl cellulose (2) and pentafluoro –benzyl cellulose (3). All cellulose derivatives are synthesized by etherification process in lithium chloride/N,N-dimethylacetamide h...

  4. Another derivation of the geometrical KPZ relations

    E-print Network

    Francois David; Michel Bauer

    2008-10-16

    We give a physicist's derivation of the geometrical (in the spirit of Duplantier-Sheffield) KPZ relations, via heat kernel methods. It gives a covariant way to define neighborhoods of fractals in 2d quantum gravity, and shows that these relations are in the realm of conformal field theory.

  5. 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.

  6. Feature Ranking Derived from Data Mining Process

    Microsoft Academic Search

    Ales Pilny; Pavel Kord

    Most common feature ranking methods are based on the sta- tistical approach. This paper compare several statistical methods with new method for feature ranking derived from data mining process. This method ranks features depending on percentage of child units that sur- vived the selection process. A child unit is a processing element trans- forming the parent input features to the

  7. Paper Chromatography of Nicotinic Acid Derivatives

    Microsoft Academic Search

    E. Kodicek; K. K. Reddi

    1951-01-01

    LEIFER et al.1 have reported the paper chromatography of nicotinic acid with the use of microbiological assay. While our work was in progress, Huebner2 described a spot test for detection of some pyridine derivatives. The present work describes sensitive qualitative techniques developed in this Laboratory for the detection of tertiary and quaternary pyridinium compounds. The laborious procedure involved in the

  8. 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…

  9. 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

  10. Photodynamic therapy photosensitizers derived from chlorophyll a

    NASA Astrophysics Data System (ADS)

    Bonnett, Raymond; Benzie, Robin; Grahn, Michael F.; Salgado, A.; Valles, Maria A.

    1994-03-01

    A series of hydroxychlorins and another of (omega) -carboxyalkyloxy derivatives have been prepared from chlorophyll (alpha) , and their potential photosensitizing ability for the photodynamic therapy of cancer tested in vitro by the MTT assay. The results show that the monohydroxychlorin VI, because of its high photoactivity and its low dark toxicity, is the most promising compound of these series.

  11. DERIVED DEMAND FOR WHEAT BY CLASS

    Microsoft Academic Search

    Justin J. Terry; Thomas L. Marsh

    2000-01-01

    To quantify price responsiveness and economic substitutability among wheat classes, derived demand functions were specified from a normalized quadratic profit function. Own-price and cross-price elasticities were estimated for hard red winter, hard red spring, soft wheat (combined red and white), and durum wheat. In general, soft wheat varieties were less responsive to their own price than were hard wheat varieties.

  12. UNCORRECTED 2 Deriving daily evapotranspiration from remotely

    E-print Network

    Paris-Sud XI, Université de

    UNCORRECTED PROOF 2 Deriving daily evapotranspiration from remotely 3 sensed instantaneous; accepted 24 February 2008 KEYWORDS Q4 Evapotranspiration; Evaporative fraction; Diurnal course; Available evapotranspiration from remotely ..., J. Hydrol. (2008), doi:10.1016/j.jhydrol.2008.02.016 ird-00388433,version1

  13. High speed point derivative microseismic detector

    DOEpatents

    Uhl, James Eugene (Albuquerque, NM); Warpinski, Norman Raymond (Albuquerque, NM); Whetten, Ernest Blayne (Albuquerque, NM)

    1998-01-01

    A high speed microseismic event detector constructed in accordance with the present invention uses a point derivative comb to quickly and accurately detect microseismic events. Compressional and shear waves impinging upon microseismic receiver stations disposed to collect waves are converted into digital data and analyzed using a point derivative comb including assurance of quiet periods prior to declaration of microseismic events. If a sufficient number of quiet periods have passed, the square of a two point derivative of the incoming digital signal is compared to a trip level threshold exceeding the determined noise level to declare a valid trial event. The squaring of the derivative emphasizes the differences between noise and signal, and the valid event is preferably declared when the trip threshold has been exceeded over a temporal comb width to realize a comb over a given time period. Once a trial event has been declared, the event is verified through a spatial comb, which applies the temporal event comb to additional stations. The detector according to the present invention quickly and accurately detects initial compressional waves indicative of a microseismic event which typically exceed the ambient cultural noise level by a small amount, and distinguishes the waves from subsequent larger amplitude shear waves.

  14. High speed point derivative microseismic detector

    DOEpatents

    Uhl, J.E.; Warpinski, N.R.; Whetten, E.B.

    1998-06-30

    A high speed microseismic event detector constructed in accordance with the present invention uses a point derivative comb to quickly and accurately detect microseismic events. Compressional and shear waves impinging upon microseismic receiver stations disposed to collect waves are converted into digital data and analyzed using a point derivative comb including assurance of quiet periods prior to declaration of microseismic events. If a sufficient number of quiet periods have passed, the square of a two point derivative of the incoming digital signal is compared to a trip level threshold exceeding the determined noise level to declare a valid trial event. The squaring of the derivative emphasizes the differences between noise and signal, and the valid event is preferably declared when the trip threshold has been exceeded over a temporal comb width to realize a comb over a given time period. Once a trial event has been declared, the event is verified through a spatial comb, which applies the temporal event comb to additional stations. The detector according to the present invention quickly and accurately detects initial compressional waves indicative of a microseismic event which typically exceed the ambient cultural noise level by a small amount, and distinguishes the waves from subsequent larger amplitude shear waves. 9 figs.

  15. 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.

  16. Deriving Tests From Software Architectures ITT Industries

    E-print Network

    Offutt, Jeff

    Deriving Tests From Software Architectures Zhenyi Jin ITT Industries Advanced Engineering Software Engineering Research Lab George Mason University Fairfax, VA 22030-4444 USA www.ise.gmu.edu/faculty/ofut/ ofut@ise.gmu.edu The Twelfth IEEE InternationalSymposium on Software Re- liability Engineering (ISSRE

  17. 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...

  18. Deriving a Pedagogy of Educational Foundations

    ERIC Educational Resources Information Center

    Fenstermacher, Gary D.

    2007-01-01

    This sixth and last paper in the series describes four elements believed to be crucial to a high quality pedagogy for educational foundations. These four elements are derived from a close reading of the previous papers. The work of Osguthorpe, Sanger, Haniford, and Mucher, four of the authors in this series, is cited as both a source for these…

  19. EQUIVARIANT DERIVED CATEGORIES, ZUCKERMAN FUNCTORS AND LOCALIZATION

    E-print Network

    Milicic, Dragan

    EQUIVARIANT DERIVED CATEGORIES, ZUCKERMAN FUNCTORS AND LOCALIZATION Dragan Milici´c and Pavle- resentation theory: Zuckerman's cohomological construction and the localiza- tion theory of Bernstein of the Zuckerman construction. Let g be a com- plex semisimple Lie algebra and K a complex algebraic group

  20. Tectonic plate motions derived from Lageos

    Microsoft Academic Search

    R. Biancale; A. Cazenave; K. Dominh

    1991-01-01

    Five years of laser data (1984-88) between the Lageos satellite and the ground station network based on precise monthly computations of the Lageos satellite are analyzed to recover tectonic motions affecting the stations. A global inversion over this period provides solutions for absolute velocities in latitude and longitude of a selected subset of 14 stations. Relative horizontal velocities are derived