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1

Synthesis, Structure and Antioxidant Activity of (Tetra-O-acetyl-?-D-galactopyranosyl)thiosemicarbazones of Substituted Benzaldehydes  

PubMed Central

Some new substituted benzaldehyde (2,3,4,6-tetra-O-acetyl-?-D-galactopyranosyl) thiosemicarbazones were synthesised by reaction of 2,3,4,6-tetra-O-acetyl-?-D-galactopyranosyl thiosemicarbazide and different substituted benzaldehydes. The reaction was performed using conventional and microwave-assisted heating methods. The structures of thiosemicarbazones were confirmed by spectroscopic (IR, 1 H NMR, 13 C NMR and MS) method. The antioxidant activity of these thiosemicarbazones was evaluated, in vitro and in vivo, and it's shown that some of these compounds had significant antioxidant activity. PMID:23204623

Thanh, Nguyen D.; Hoai, Le T.

2012-01-01

2

Synthesis and antityrosinase mechanism of benzaldehyde thiosemicarbazones: novel tyrosinase inhibitors.  

PubMed

p-Hydroxybenzaldehyde thiosemicarbazone (HBT) and p-methoxybenzaldehyde thiosemicarbazone (MBT) were synthesized and established by (1)H NMR and mass spectra. Both compounds were evaluated for their inhibition activities on mushroom tyrosinase and free-cell tyrosinase and melanoma production from B(16) mouse melanoma cells. Results showed that both compounds exhibited significant inhibitory effects on the enzyme activities. HBT and MBT decreased the steady state of the monophenolase activity sharply, and the IC(50) values were estimated as 0.76 and 7.0 ?M, respectively. MBT lengthened the lag time, but HBT could not. HBT and MBT inhibited diphenolase activity dose-dependently, and their IC(50) values were estimated as 3.80 and 2.62 ?M, respectively. Kinetic analyses showed that inhibition type by both compounds was reversible and their mechanisms were mixed-type. Their inhibition constants were also determined and compared. The research may supply the basis for the development of new food preservatives and cosmetic additives. PMID:22250887

Chen, Liang-Hua; Hu, Yong-Hua; Song, Wei; Song, Kang-Kang; Liu, Xuan; Jia, Yu-Long; Zhuang, Jiang-Xing; Chen, Qing-Xi

2012-02-15

3

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)

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).

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

2013-02-01

4

Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L.  

PubMed

A series of thiosemicarbazone analogs based on the benzophenone, thiophene, pyridine, and fluorene molecular frameworks has been prepared by chemical synthesis and evaluated as small-molecule inhibitors of the cysteine proteases cathepsin L and cathepsin B. The two most potent inhibitors of cathepsin L in this series (IC(50)<135 nM) are brominated-benzophenone thiosemicarbazone analogs that are further functionalized with a phenolic moiety (2 and 6). In addition, a bromo-benzophenone thiosemicarbazone acetyl derivative (3) is also strongly inhibitory against cathepsin L (IC(50)=150.8 nM). Bromine substitution in the thiophene series results in compounds that demonstrate only moderate inhibition of cathepsin L. The two most active analogs in the benzophenone thiosemicarbazone series are highly selective for their inhibition of cathepsin L versus cathepsin B. PMID:20933415

Kumar, G D Kishore; Chavarria, Gustavo E; Charlton-Sevcik, Amanda K; Yoo, Grace Kim; Song, Jiangli; Strecker, Tracy E; Siim, Bronwyn G; Chaplin, David J; Trawick, Mary Lynn; Pinney, Kevin G

2010-11-15

5

Synthesis and screening of substituted thiosemicarbazone derivatives: an approach towards novel anticonvulsant search.  

PubMed

A series of thiosemicarbazones of halogen substituted benzaldehydes, benzophenone and acetophenone were synthesized using an appropriate synthetic route and characterized by thin layer chromatography and spectral analysis. The anticonvulsant activity of synthesized compounds was established in three seizures models which includes maximal electroshock (MES), subcutaneous pentylene tetrazole (scPTZ) induced seizures and minimal neurotoxicity test. Five compounds out of 21 exhibited protection in MES test while only one compound showed protection in scPTZ screen. Two compounds were found to be active in minimal clonic seizure (6Hz) model. Compound PS6 i.e. 2-(3-bromobenzylidene)-N-(4-chlorophenyl) hydrazinecarbothioamide emerged as the most active compound with MES ED50 of more than 50mg/kg and pI greater than 12, which is found to be better than the prototype drug, Phenytoin. The compound has shown neuroprotection in kainic acid model with IC50 value of 40.97 µM. It has also shown mild activation effect on CYP 269 and CYP 2C9 enzymes, indicating the usefulness of thiosemicarbazones as anticonvulsants. PMID:21294704

Singh, Priyanka; Jain, Jainendra; Sinha, Reema; Samad, Abdul; Kumar, Rajeev; Malhotra, Manav

2011-03-01

6

5-nitroisatin-derived thiosemicarbazones: potential antileishmanial agents.  

PubMed

A series of 29 previously reported N(4)-substituted 5-nitroisatin-3-thiosemicarbazones 2-30 has been screened for leishmanicidal potential. Compounds 2-4, 7, 8, 10-13, 15-19, 21, 23, 24, 26, 28 and 30 exhibited good to excellent antileishmanial activities with IC50 values ranging from 0.44?±?0.02 to 32.38?±?0.66?µg/mL. Of these, 5, 7, 19 and 28 proved to be the most active antileishmanial agents, displaying activities with IC50 values 1.78?±?0.35, 0.44?±?0.02, 1.91?±?0.04 and 4.28?±?0.75?µg/mL, respectively, which were even better than the standard drug, pentamidine (IC50?=?5.09?±?0.04?µg/mL). This study presents the first example of exhibition of leishmanicidal potential by isatin-thiosemicarbazones and as such furnishes a solid basis for further research on these compounds to develop more potent antileishmanial agents. PMID:24090424

Pervez, Humayun; Manzoor, Nazia; Yaqub, Muhammad; Khan, Khalid Mohammed

2014-10-01

7

Syntheses and evaluation of glucosyl aryl thiosemicarbazide and glucosyl thiosemicarbazone derivatives as antioxidant and anti-dyslipidemic agents.  

PubMed

A series of N-per-O-acetyl-glucosyl arylthiosemicarbazide and thiosemicarbazone derivatives have been synthesized and evaluated for their in vivo anti-dyslipidemic and in vitro antioxidant activities. Among 16 compounds tested, 3 compounds showed potent anti-dyslipidemic activity and 6 compounds showed potent antioxidant and scavenger of oxygen free radicals activity. PMID:19064319

Ghosh, Samir; Misra, Anup Kumar; Bhatia, Gitika; Khan, M M; Khanna, A K

2009-01-15

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)

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.

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

2013-08-01

9

Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L  

Microsoft Academic Search

A series of thiosemicarbazone analogs based on the benzophenone, thiophene, pyridine, and fluorene molecular frameworks has been prepared by chemical synthesis and evaluated as small-molecule inhibitors of the cysteine proteases cathepsin L and cathepsin B. The two most potent inhibitors of cathepsin L in this series (IC50<135nM) are brominated-benzophenone thiosemicarbazone analogs that are further functionalized with a phenolic moiety (2

G. D. Kishore Kumar; Gustavo E. Chavarria; Amanda K. Charlton-Sevcik; Grace Kim Yoo; Jiangli Song; Tracy E. Strecker; Bronwyn G. Siim; David J. Chaplin; Mary Lynn Trawick; Kevin G. Pinney

2010-01-01

10

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

NASA Astrophysics Data System (ADS)

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

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

2012-01-01

11

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

PubMed Central

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

Zellner, G; Kneifel, H; Winter, J

1990-01-01

12

Inhibition of Bovine Viral Diarrhea Virus RNA Synthesis by Thiosemicarbazone Derived from 5,6-Dimethoxy-1-Indanone?  

PubMed Central

In the present work, we described the activity of the thiosemicarbazone derived from 5,6-dimethoxy-1-indanone (TSC), which we previously characterized as a new compound that inhibits bovine viral diarrhea virus (BVDV) infection. We showed that TSC acts at a point of time that coincides with the onset of viral RNA synthesis and that it inhibits the activity of BVDV replication complexes (RCs). Moreover, we have selected five BVDV mutants that turned out to be highly resistant to TSC but still susceptible to ribavirin (RBV). Four of these resistant mutants carried an N264D mutation in the viral RNA-dependent RNA polymerase (RdRp). The remaining mutant showed an A392E mutation within the same protein. Some of these mutants replicated slower than the wild-type (wt) virus in the absence of TSC, whereas others showed a partial reversion to the wt phenotype over several passages in the absence of the compound. The docking of TSC in the crystal structure of the BVDV RdRp revealed a close contact between the indane ring of the compound and several residues within the fingers domain of the enzyme, some hydrophobic contacts, and hydrogen bonds with the thiosemicarbazone group. Finally, in the mutated RdRp from resistant BVDV, these interactions with TSC could not be achieved. Interestingly, TSC inhibited BVDV replication in cell culture synergistically with RBV. In conclusion, TSC emerges as a new nonnucleoside inhibitor of BVDV RdRp that is synergistic with RBV, a feature that turns it into a potential compound to be evaluated against hepatitis C virus (HCV). PMID:21430053

Castro, Eliana F.; Fabian, Lucas E.; Caputto, Maria E.; Gagey, Dolores; Finkielsztein, Liliana M.; Moltrasio, Graciela Y.; Moglioni, Albertina G.; Campos, Rodolfo H.; Cavallaro, Lucia V.

2011-01-01

13

Iron(III) and nickel(II) template complexes derived from benzophenone thiosemicarbazones  

Microsoft Academic Search

New iron(III) and nickel(II) chelates were synthesized by template reaction of 2,4-dihydroxy- and 2-hydroxy-4-methoxy-benzophenone S-methylthiosemicarbazones with 2-hydroxy- and 5-bromo-2-hydroxy-benzaldehydes. The template complexes were isolated as stable solids and characterized by elemental analysis, conductivity and magnetic measurements, IR, H NMR, UV–Visible, and mass spectra. The crystal structure of N -(2-hydroxy-4-methoxyphenyl)(phenyl)methylene-N -(2-hydroxy-phenyl)methylene-S-methyl-thiosemicarbazidato-Fe(III) was determined by X-ray diffraction. A five-coordinate, distorted square-pyramidal geometry

Yasem?n da?dem?r Kurt; Bahr? Ülküseven; Sev?lcan Tuna; M?ne Ergüven; Seyhun Solako?lu

2009-01-01

14

Synthesis and Characterization of some Transition Metal Complexes of Thiosemicarbazones Derived from 2?acetylpyrrole and 2?acetylfuran  

Microsoft Academic Search

Copper(II), nickel(II), palladium(II), platinum(II), and silver(I) complexes of 2?acetylpyrrole thiosemicarbazone (H2L) and copper(II), nickel(II), platinum(II) and zinc(II) complexes of 2?acetylfuran thiosemicarbazone (HL) have been prepared and characterized by conductance, electronic, infrared, magnetic and H NMR spectral measurements in addition to elemental and thermogravimetrical analyses. Square?planar structures are suggested for the H2L complexes of Cu(II), Ni(II), Pd(II) and Pt(II), whereas octahedral

Nabil S. Youssef; K. H. Hegab

2005-01-01

15

4-nitroacetophenone-derived thiosemicarbazones and their copper(II) complexes with significant in vitro anti-trypanosomal activity.  

PubMed

N(4)-methyl-4-nitroacetophenone thiosemicarbazone (H4NO(2)Ac4M, 1), N(4),N(4)-dimethyl-4-nitroacetophenone thiosemicarbazone (H4NO(2)Ac4DM, 2) and N(4)-piperidyl-4-nitroacetophenone thiosemicarbazone (H4NO(2)Ac4Pip, 3) and their copper(II) complexes [Cu(4NO(2)Ac4M)(2)] (4), [Cu(4NO(2)Ac4DM)(2)] (5) and [Cu(4NO(2)Ac4Pip)(2)] (6) were tested for their in vitro ability to inhibit the growth of Trypanosoma cruzi epimastigote forms. H4NO(2)Ac4DM (2), [Cu(4NO(2)Ac4M)(2)] (4) and [Cu(4NO(2)Ac4DM)(2)] (5) proved to be as active as the clinical reference drugs nifurtimox and benznidazol. Taking into consideration the serious side effects and the poor efficacy of the reference drugs, as well as the appearance of resistance during treatment, the studied compounds could constitute a new class of anti-trypanosomal drug candidates. PMID:17709156

Pérez-Rebolledo, Anayive; Teixeira, Letícia R; Batista, Alzir A; Mangrich, Antonio S; Aguirre, Gabriela; Cerecetto, Hugo; González, Mercedes; Hernández, Paola; Ferreira, Ana M; Speziali, Nivaldo L; Beraldo, Heloisa

2008-05-01

16

N-methylisatin-beta-thiosemicarbazone derivative (SCH 16) is an inhibitor of Japanese encephalitis virus infection in vitro and in vivo  

PubMed Central

Background During the early and mid part of 20th century, several reports described the therapeutic effects of N-methylisatin-?-Thiosemicarbazone (MIBT) against pox viruses, Maloney leukemia viruses and recently against HIV. However, their ability to inhibit flavivirus replication has not been investigated. Hence the present study was designed to evaluate the antiviral activity of 14 MIBT derivatives against Flaviviruses that are prevalent in India such as Japanese Encephalitis Virus (JEV), Dengue-2 (Den-2) and West Nile viruses (WNV). Results Amongst the fourteen Mannich bases of MIBT derivatives tested one compound – SCH 16 was able to completely inhibit in vitro Japanese encephalitis virus (JEV) and West Nile virus (WNV) replication. However no antiviral activity of SCH 16 was noted against Den-2 virus replication. This compound was able to inhibit 50% of the plaques (IC50) produced by JEV and WNV at a concentration of 16 ?gm/ml (0.000025 ?M) and 4 ?gm/ml (0.000006 ?M) respectively. Furthermore, SCH 16 at a concentration of 500 mg/kg body weight administered by oral route twice daily was able to completely (100%) prevent mortality in mice challenged with 50LD50 JEV by the peripheral route. Our experiments to understand the mechanism of action suggest that SCH 16 inhibited JEV replication at the level of early protein translation. Conclusion Only one of the 14 isatin derivatives -SCH 16 exhibited antiviral action on JEV and WNV virus infection in vitro. SCH 16 was also found to completely inhibit JEV replication in vivo in a mouse model challenged peripherally with 50LD50 of the virus. These results warrant further research and development on SCH 16 as a possible therapeutic agent. PMID:18498627

Sebastian, Liba; Desai, Anita; Shampur, Madhusudana N; Perumal, Yogeeswari; Sriram, D; Vasanthapuram, Ravi

2008-01-01

17

Unusual template condensation of benzophenone thiosemicarbazones and salicylaldehydes with nickel(II)  

Microsoft Academic Search

Reactions of 5-R-2-hydroxybenzophenone S-methylthiosemicarbazones (R: H, Br, Cl) and 2-hydroxy-benzaldehydes in the presence of NiCl2 yielded template complexes by chelating with two of the ligands in the monoanionic form. The N4O2 complexes of the thiosemicarbazones show distorted-octahedral geometry around nickel(II). The compounds were characterized by elemental analysis, conductivity and magnetic measurements, UV-Vis, IR, H-NMR, and mass spectra. Crystal structure of

Yasem?n Da?dem?r Kurt; Bahr? Ülküseven

2010-01-01

18

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

PubMed

The palladium(II) bis-chelate complexes of the type [Pd(TSC(1-5))2] (6-10), with their corresponding ligands 4-phenyl-1-(acetone)-thiosemicarbazone, HTSC(1) (1), 4-phenyl-1-(2'-chloro-benzaldehyde)-thiosemicarbazone, HTSC(2) (2), 4-phenyl-1-(3'-hydroxy-benzaldehyde)-thiosemicarbazone, HTSC(3) (3), 4-phenyl-1-(2'-naphthaldehyde)-thiosemicarbazone, HTSC(4) (4), and 4-phenyl-1-(1'-nitro-2'-naphthaldehyde)-thiosemicarbazone, HTSC(5) (5), were synthesized and characterized by elemental analysis and spectroscopic techniques (IR and (1)H- and (13)C-NMR). The molecular structure of HTSC(3), HTSC(4), and [Pd(TSC(1))2] (6) have been determined by single crystal X-ray crystallography. Complex 6 shows a square planar geometry with two deprotonated ligands coordinated to Pd(II) 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(TSC(3))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

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

2013-01-01

19

Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.  

PubMed

Zinc(II) and cadmium(II) acetates were reacted in methanol under various experimental conditions with thiosemicarbazones derived from beta-keto amides or beta-keto esters (HTSC). Some of these reactions afforded thiosemicarbazonate complexes [M(TSC)2] with IR and NMR spectra compatible with N,S-coordination, but most gave complexes [ML2], where HL is a substituted 2,5-dihydro-5-oxo-1H-pyrazole-1-carbothioamide resulting from cyclization of the HTSC. Some of these pyrazolonates and two of the HL ligands were studied by X-ray diffractometry, and their structures are discussed. Surprisingly, the reactions of zinc(II) acetate with HTSC in 1:1 mol ratio usually gave a third, previously unreported type of complex with a dideprotonated ligand, [Zn(L-H)], which was also formed when [ZnL2] and Zn(OAc)2 interacted at room temperature in 1:1 mol ratio. These L-H complexes are highly insoluble in all common solvents, which hinders their characterization but suggests that they are polymeric in nature. PMID:15252590

Casas, José S; Castańo, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José

2004-07-01

20

Bonding trends of thiosemicarbazones in mononuclear and dinuclear copper(I) complexes: syntheses, structures, and theoretical aspects.  

PubMed

Reactions of copper(I) halides with a series of thiosemicarbazone ligands (Htsc) in the presence of triphenylphosphine (Ph(3)P) in acetonitrile have yielded three types of complexes: (i) monomers, [CuX(eta1-S-Htsc)(Ph3P)2] [X, Htsc = I (1), Br (2), benzaldehyde thiosemicarbazone (Hbtsc); I (5), Br (6), Cl (7), pyridine-2-carbaldehyde thiosemicarbazone (Hpytsc)], (ii) halogen-bridged dimers, [Cu2(mu2-X)2(eta1-S-Htsc)2(Ph3P)2] [X, Htsc = Br (3), Hbtsc; I (8), furan-2-carbaldehyde thiosemicarbazone (Hftsc); I (11), thiophene-2-carbaldehyde thiosemicarbazone (Httsc)], and (iii) sulfur-bridged dimers, [Cu2X2(mu2-S-Htsc)2(Ph3P)2] [X, Htsc = Cl (4), Hbtsc; Br (9), Cl (10), pyrrole-2-carbaldehyde thiosemicarbazone (Hptsc); Br (12), Httsc]. All of these complexes have been characterized with the help of elemental analysis, IR, 1H, 13C, or 31P NMR spectroscopy, and X-ray crystallography (1-12). In all of the complexes, thiosemicarbazones are acting as neutral S-donor ligands in eta()S or mu2-S bonding modes. The Cu...Cu separations in the Cu(mu2-X)2Cu and Cu(mu2-S)2Cu cores lie in the ranges 2.981(1)-3.2247(6) and 2.813(1)-3.2329(8) Angstroms, respectively. The geometry around each Cu center in monomers and dimers may be treated as distorted tetrahedral. Ab initio density functional theory calculations on model monomeric and dimeric complexes of the simplest thiosemicarbazone [H2C=N-NH-C(S)-NH2, Htsc] have revealed that monomers and halogen-bridged dimers have similar stability and that sulfur-bridged dimers are stable only when halogen atoms are engaged in hydrogen bonding with the solvent of crystallization or H2O molecules. PMID:16471964

Lobana, Tarlok S; Rekha, Rekha; Butcher, R J; Castineiras, A; Bermejo, E; Bharatam, Prasad V

2006-02-20

21

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)

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.

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

2013-09-01

22

Synthesis and characterization of new dioxomolybdenum(VI) complexes derived from benzophenone-thiosemicarbazone (H2L). Crystal structure of [MoO2L(PrOH)  

Microsoft Academic Search

Five mixed-ligand complexes of dioxomolybdenum(VI) [MoO2L(ROH)], where L is dianionic form of the 2-hydroxybenzophenone S-methyl-4-phenyl-thiosemicarbazone (H2L) and ROH are n-alcohols (CnH2n+1–OH; n = 1 ? 5) were synthesized and characterized by elemental analysis, electronic, infrared and H-NMR spectroscopies. The ligand is coordinated to the cis- core through ONN, while the sixth coordination site is occupied by alcohol. The crystal structure

Berat ?lhan Ceylan; Yasem?n Da?dem?r Kurt; Bahr? Ülküseven

2009-01-01

23

Metal-induced cyclization of thiosemicarbazones derived from beta-keto amides and beta-keto esters: open-chain and cyclized ligands in zinc(II) complexes.  

PubMed

The reactions of Zn(OAc)(2) with acetoacetanilide, methyl acetoacetate, o-acetoacetanisidide, and ethyl 2-methylacetoacetate thiosemicarbazones (HTSC(1), HTSC(2), HTSC(3), and HTSC(4), respectively) were explored in methanol. With HTSC(1), HTSC(2), and HTSC(3), following isolation of the corresponding zinc(II) thiosemicarbazonates [Zn(TSC(x))(2)] (x = 1, 2, 3), the mother liquors afforded pyrazolonate complexes [ZnL(1)(2)(H(2)O)] (HL(1) = 2,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carbothioamide) that had been formed by cyclization of the corresponding TSC(-). The reaction of HTSC(4) with zinc(II) acetate gave only the pyrazolonate complex [ZnL(2)(2)(H(2)O)] (HL(2) = 2,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazole-1-carbothioamide). All compounds were studied by IR and NMR spectroscopy, and HTSC(3), [Zn(TSC(3))(2)] x DMSO, [ZnL(1)(2)(H(2)O)] x 2DMSO, and [ZnL(2)(2)(H(2)O)] x 2DMSO were also studied by X-ray diffractometry, giving a thorough picture of the cyclization process. In preliminary tests of the effects of HL(1) and [ZnL(1)(2)(H(2)O)] on rat paw inflammatory edema induced by carrageenan, HL(1) showed antiinflammatory activity. PMID:11896724

Casas, José S; Castańo, María V; Castellano, Eduardo E; Ellena, Javier; García-Tasende, María S; Gato, Angeles; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José

2002-03-25

24

In-vitro antibacterial, antifungal activity of some transition metal complexes of thiosemicarbazone Schiff base (HL) derived from N4-(7'-chloroquinolin-4'-ylamino) thiosemicarbazide.  

PubMed

The synthetic, spectroscopic, and biological studies of Cu(II), Ni(II), Zn(II), Co(II), Mn(II), Fe(III) and Cr(III) complexes of N(4)-(7'-chloroquinolin-4'-ylamino)-N(1)-(2-hydroxy-benzylidene)thiosemicarbazone (HL) obtained by the reaction of N(4)-(7'-chloroquinolin-4'-ylamino)thiosemicarbazide with 2-hydroxybenzaldehyde. The structures of the complexes were determined on the basis of the elemental analyses, spectroscopic data (IR, electronic, (1)H and (13)C NMR and Mass spectra) along with magnetic susceptibility measurements, molar conductivity and thermogravimetric analyses. Electrical conductance measurement revealed the non-electrolytic nature of the complexes. The resulting colored products are mononuclear in nature. On the basis of the above studies, only one ligand was suggested to be coordinated to each metal atom by thione sulfur, azomethine nitrogen and phenolic oxygen to form mononuclear complexes in which the thiosemicarbazone behaves as a monobasic tridendate ligand. The ligand and its metal complexes were tested against Gram + ve bacteria (Staphylococcus aureus), Gram - ve bacteria (Escherichia coli), fungi (Candida albicans) and (Fusarium solani). The tested compounds exhibited significant activity. PMID:18665996

Abou Melha, Khlood S

2008-08-01

25

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

PubMed Central

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

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

2006-01-01

26

Synthesis and spectroscopic characterization of cobalt(II) thiosemicarbazone complexes  

Microsoft Academic Search

Thiosemicarbazone derivatives are formed on reaction between acetophenone, salicylaldehyde, benzophenone and\\/or 2-hydroxy-4-methoxybenzophenone and thiosemicarbazide or its NH substituents (ethyl-, phenyl-, and p-chlorophenyl-). The ligands were investigated by elemental analysis and spectral (IR, H?NMR and MS) studies. The formulas of the prepared complexes have been suggested by elemental analyses and confirmed by mass spectra. The coordination sites of each ligand were

Rafat M. El-Shazly; G. A. A. Al-Hazmi; S. E. Ghazy; M. S. El-Shahawi; A. A. El-Asmy

2006-01-01

27

4-(Diphenyl-amino)benzaldehyde  

PubMed Central

In the title compound, C19H15NO, the N atom adopts an approximately trigonal-planar geometry, lying 0.07?(1)?Ĺ from the plane defined by its three neighbouring C atoms. The two phenyl rings and the benzaldehyde group form dihedral angles of 53.0?(1)/47.2?(1) and 29.0?(1)°, respectively, with this central plane. PMID:21581606

Wang, Hongli; Xu, Wenyuan; Zhang, Bin; Xiao, Wenjing; Wu, Hong

2009-01-01

28

Evaluation of thiosemicarbazone derivative as chelating agent for the simultaneous removal and trace determination of Cd(II) and Pb(II) in food and water samples.  

PubMed

In the present investigation, prepared N-ethyl-3-carbazolecarbaxaldehyde-3-thiosemicarbazone (ECCT) and employed for the simultaneous removal and determination of trace amounts of Cd(II) and Pb(II) from food and water samples. Cd(II) and Pb(II) gave yellow and orange colored complexes with ECCT in acetate buffer at pH 6.0 with ?max, 380 and 440nm, respectively. Both complexes were easily extractable into kerosene at 1:1(M:L) composition. It was in accordance with Beer's law in the range of 0.0-12.0 and 0.0-10.0?gmL(-1) with 0.999 and 0.997 correlation coefficient for Cd(II) and Pb(II) complexes, respectively, indicated a good linearity between the two variables. The molar absorptivity and Sandell's sensitivity were found to be 0.740×10(4)Lmol(-1)cm(-1), 1.52×10(-3)?gcm(-2) for Cd(II) and 1.809×10(4)L mol(-1)cm(-1), 1.15×10(-3)?gcm(-2) for Pb(II). The precision and accuracy of the method was checked for both metal ions by finding the relative standard deviations (n=8), which were 0.689% and 0.443%, with detection limits of 0.00151?gL(-1) and 0.00264?gL(-1) for Cd(II) and Pb(II), respectively. Further validation using certified reference material, NIST 1568b, resulted in determined concentrations of 0.028±0.253?gg(-1) for Cd(II) and 0.046±0.325?gg(-1) for Pb(II). These determined values agree well with the certified values in the reference materials. The interfering effects of various cations and anions were also studied. The proposed method performance was also evaluated in terms of Student 'T' test and Variance 'F' test, which indicated the significance of the present method parameters, as an inter comparison of the experimental values using ICP-OES. PMID:24360411

Koduru, Janardhan Reddy; Lee, Kap Duk

2014-05-01

29

Pentadentate thiosemicarbazones as versatile chelating systems. A comparative structural study of their metallic complexes.  

PubMed

We have prepared some transition and post-transition metal complexes derived from the pentadentate thiosemicarbazone ligand bis(4-N-ethylthiosemicarbazone)-2,6-diacetylpyridine H(2)L(Et), by both chemical and electrochemical procedures. The complexes have been synthesised and fully characterised, including the crystal structures for the ligand H(2)L(Et) and its manganese, cadmium and lead complexes. We have also performed multinuclear (109)Ag, (113)Cd, (119)Sn and (207)Pb studies for silver, cadmium, tin and lead compounds, respectively. Moreover we present here a comparative study on the different structures found for pentadentate thiosemicarbazonate complexes, trying to check the influence of different factors, such as experimental procedure, size of metal, structure of the ligand, and metal oxidation state, on the final structure of the complex formed. Our aim is gaining a better insight into the coordination trends of pentadentate thiosemicarbazone ligands. PMID:19153625

Pedrido, Rosa; González-Noya, Ana M; Romero, Maria J; Martínez-Calvo, Miguel; Vázquez López, Miguel; Gómez-Fórneas, Esther; Zaragoza, Guillermo; Bermejo, Manuel R

2008-12-21

30

Trypanocidal and cytotoxic evaluation of synthesized thiosemicarbazones as potential drug leads against sleeping sickness.  

PubMed

Thiosemicarbazones have become one of the promising compounds as new clinical candidates due to their wide spectrum of pharmaceutical activities. The wide range of their biological activities depends generally on their related aldehyde or ketone groups. Here, we report the pharmacological activities of some thiosemicarbazones synthesized in this work. Benzophenone and derivatives were used with N(4)-phenyl-3-thiosemicarbazide to synthesize corresponding five thiosemicarbazones (1-5). Their structures were characterized by spectrometrical methods analysis IR, NMR (1)H & (13)C and MS. The compounds were then screened in vitro for their antiparasitic activity and toxicity on Trypanosoma brucei brucei and Artemia salina Leach respectively. The selectivity index of each compound was also determined. Four thiosemicarbazones such as 4, 2, 3 and 1 reveal interesting trypanocidal activities with their half inhibitory concentration (IC50) equal to 2.76, 2.83, 3.86 and 8.48 ?M respectively, while compound 5 (IC50 = 12.16 ?M) showed a moderate anti-trypanosomal activity on parasite. In toxicity test, except compound 1, which showed a half lethal concentration LC50 >281 ?M, the others exerted toxic effect on larvae with LC50 of 5.56, 13.62, 14.55 and 42.50 ?M respectively for thiosemicarbazones 4, 5, 3 and 2. In agreement to their selectivity index, which is greater than 1 (SI >1), these compounds clearly displayed significant selective pharmaceutical activities on the parasite tested. The thiosemicarbazones 2-5 that displayed significant anti-trypanosomal and cytoxicity activities are suggested to have anti-neoplastic and anti-cancer activities. PMID:24407605

Glinma, Bienvenu; Kpoviessi, Sika D S; Gbaguidi, Fernand A; Kapanda, Coco N; Bero, Joanne; Quetin-Leclercq, Joëlle; Moudachirou, Mansourou; Poupaert, Jacques; Accrombessi, Georges C; Gachomo, Emma W; Baba-Moussa, Lamine; Kotchoni, Simeon O

2014-03-01

31

Synthesis and Structure-Activity Correlation Studies of Metal Complexes of ?-N-heterocyclic Carboxaldehyde Thiosemicarbazones in Shewanella oneidensis  

PubMed Central

This investigation involved the synthesis of metal complexes to test the hypothesis that structural changes and metal coordination in pyridine thiosemicarbazones affect cell growth and cell proliferation in vitro. Thiosemicarbazones are well known to possess antitumor, antiviral, antibacterial, antimalarial, and other activities. Extensive research has been carried out on aliphatic, aromatic, heterocyclic and other types of thiosemicarbazones and their metal complexes. Due to the pronounced reactivity exhibited by metal complexes of heterocyclic thiosemicarbazones, synthesis and structural characterization of di-2-pyridylketone 4N-phenyl thiosemicarbazone and diphenyl tin (Sn) and platinum (Pt) complexes were undertaken. Shewanella oneidensis MR-1, a metal ion-reducing bacterium, was used as a model organism to explore the biological activity under aerobic conditions. A comparision of the cytotoxic potential of selected ligand and metal-complex thiosemicarbazones on cell growth in wild type MR-1 and mutant DSP-010 Shewanella oneidensis strains at various concentrations (0, 5, 10, 15, 20 or 25 ppm) was performed. The wild type (MR-1) grown in the presence of increasing concentrations of Sn- thiosemicarbazone complexes was comparatively more sensitive (mean cell number = 4.8 × 108 ± 4.3 × 107 SD) than the DSP-010, a spontaneous rifampicillin derivative of the parent strain (mean cell number = 5.6 × 108 ± 6.4 × 107 SD) under comparable aerobic conditions (p=0.0004). No differences were observed in the sensitivity of the wild and mutant types when exposed to various concentrations of diphenyl Pt- thiosemicarbazone complex (p= 0.425) or the thiosemicarbazone ligand (p=0.313). Growth of MR-1 in the presence of diphenyl Sn- thiosemicarbazone was significantly different among treatment groups (p=0.012). MR-1 cell numbers were significantly higher at 5ppm than at 10 to 20ppm (p = 0.05). The mean number of DSP-010 variant strain cells also differed among diphenyl Sn- thiosemicarbazone complex treated groups (p=0.051). In general, there was an increasing trend in the number of cells from about 5.0 × 108 cells (methanol control group) to about 6.0 × 108 cells (25ppm). The number of cells in methanol control group was significantly lower than cell numbers at 20ppm and 25ppm (p = 0.05), and numbers at 5ppm treatment were lower than at 20 and 25ppm (p = 0.05). Furthermore, a marginally significant difference in the number of MR-1 cells was observed among diphenyl Pt- thiosemicarbazone complex treatment groups (p = 0.077), and an increasing trend in the number of cells was noted from ~5.0 × 108 cells (methanol control group) to ~5.8 × 108 cells (20ppm). In contrast, the DSP-010 variant strain showed no significant differences in cell numbers when treated with various concentrations of diphenyl Pt- thiosemicarbazone complex (p = 0.251). Differences in response to Sn- metal complex between MR-1 and DSP-010 growing cultures indicate that biological activity to thiosemicarbazone metal complexes may be strain specific. PMID:16705815

Wilson, Barbara A.; Venkatraman, Ramaiyer; Whitaker, Cedrick; Tillison, Quintell

2005-01-01

32

Gold catalyst Styrene Benzaldehyde Styrene oxide Acetophenone  

E-print Network

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

Rouyer, Francois

33

Monitoring cellular uptake and cytotoxicity of copper(II) complex using a fluorescent anthracene thiosemicarbazone ligand.  

PubMed

The thiosemicarbazone derivative of anthracene (ATSC, anthracene thiosemicarbazone 1) and its copper(II) complex (CuATSC, 2) were synthesized and characterized by spectroscopic, electrochemical, and crystallographic techniques. Interaction of 1 and 2 with calf thymus (CT) DNA was explored using absorption and emission spectral methods, and viscosity measurements reveal a partial-intercalation binding mode. Their protein binding ability was monitored by the quenching of tryptophan emission using bovine serum albumin (BSA) as a model protein. Furthermore, their cellular uptake, in vitro cytotoxicity testing on the HeLa cell line, and flow cytometric analysis were carried out to ascertain the mode of cell death. Cell cycle analysis indicated that 1 and 2 cause cell cycle arrest in sub-G1 phase. PMID:24328322

Kate, Anup N; Kumbhar, Anupa A; Khan, Ayesha A; Joshi, Pranaya V; Puranik, Vedavati G

2014-01-15

34

Enzymatic ( R )-phenylacetylcarbinol production in benzaldehyde emulsions  

Microsoft Academic Search

(R)-Phenylacetylcarbinol [(R)-PAC)] is the chiral precursor for the production of the pharmaceuticals ephedrine and pseudoephedrine. Reaction conditions were improved to achieve increased (R)-PAC levels in a simple batch biotransformation of benzaldehyde emulsions and pyruvate, using partially purified pyruvate decarboxylase (PDC) from the filamentous fungus Rhizopus javanicus NRRL 13161 as the catalyst. Lowering the temperature from 23°C to 6°C decreased initial

B. Rosche; N. Leksawasdi; V. Sandford; M. Breuer; B. Hauer; P. Rogers

2002-01-01

35

Benzaldehyde suppresses murine allergic asthma and rhinitis.  

PubMed

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

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

2014-10-01

36

Mathematical model for kinetics of enzymatic conversion of benzaldehyde and pyruvate to ( R)-phenylacetylcarbinol  

Microsoft Academic Search

A mathematical model for the enzymatic biotransformation of benzaldehyde and pyruvate to R-phenylacetylcarbinol (PAC) and its associated by-products has been developed using a schematic method devised by King and Altman [E.L. King, C. Altman, A schematic method of deriving the rate laws for enzyme catalysed reactions, J. Phys. Chem. 60 (1956) 1375–1378] for deriving the rate equations for a complex

Noppol Leksawasdi; Bettina Rosche; Peter L. Rogers

2005-01-01

37

Enantioselective ortho-lithiation of benzaldehyde chromiumtricarbonyl complex  

Microsoft Academic Search

The asymmetric ortho lithiation of benzaldehyde chromiumtricarbonyl complex is performed by in situ temporary protection of the aldehyde functionality with a chiral amide and BuLi as metallating agent. Reaction with an electrophile followed by acidic hydrolysis leads to the enantiomerically enriched ortho substituted benzaldehyde chromiumtricarbonyl complex.

Alexandre Alexakis; Tonis Kanger; Pierre Mangeney; Françoise Rose-Munch; Anne Perrotey; Eric Rose

1995-01-01

38

Enantioselective ortho-Lithiation of Aminals of benzaldehyde chromiumtricarbonyl complex  

Microsoft Academic Search

The asymmetric ortho lithiation of aminals of benzaldehyde chromiumtricarbonyl complex is described. The best regioisomeric composition is attained with aminal 2d. Quenching with an electrophile and hydrolysis of the aminal back to the aldehyde afford a single enantiomer of the o-substituted benzaldehyde chromiumtricarbonyl complex.

Alexandre Alexakis; Tonis Kanger; Pierre Mangeney; Françoise Rose-Munch; Anne Perrotey; Eric Rose

1995-01-01

39

Management of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone-induced methemoglobinemia  

PubMed Central

The anticancer agent 3-aminopyridine-2-carboxaldehyde thiosemicarbazone is a ribonucleotide reductase inhibitor. It inactivates ribonucleotide reductase by disrupting an iron-stabilized radical in ribonucleotide reductase's small subunits, M2 and M2b (p53R2). Unfortunately, 3-aminopyridine-2-carboxaldehyde thiosemicarbazone also alters iron II (Fe2+) in hemoglobin. This creates Fe3+ methemoglobin that does not deliver oxygen. Fe2+ in hemoglobin normally auto-oxidizes to inactive Fe3+ methemoglobin at a rate of nearly 3% per day and this is counterbalanced by a reductase system that normally limits methemoglobin concentrations to less than 1% of hemoglobin. This balance may be perturbed by symptomatic toxicity levels during 3-aminopyridine-2-carboxaldehyde thiosemicarbazone therapy. Indications of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone sequelae attributable to methemoglobinemia include resting dyspnea, headaches and altered cognition. Management of methemoglobinemia includes supplemental oxygen, ascorbate and, most importantly, intravenously administered methylene blue as a therapeutic antidote. PMID:22335579

Kunos, Charles A; Radivoyevitch, Tomas; Ingalls, Stephen T; Hoppel, Charles L

2012-01-01

40

Synthesis, docking, and in vitro activity of thiosemicarbazones, aminoacyl-thiosemicarbazides and acyl-thiazolidones against Trypanosoma cruzi.  

PubMed

A novel series of thiosemicarbazone and aminoacyl-thiazolidones derivatives were synthesized. Their structure suggests that these compounds could have anti-Trypanosoma cruzi activity. Biological evaluation indicates that some of these compounds are able to inhibit the growth of T. cruzi in concentrations non-cytotoxic to mammalian cells. Docking studies were carried out in order to investigate the binding pattern of these compounds for the T. cruzi cruzain (TCC) protein, and these showed a significant correlation with experimental data. PMID:16458521

Leite, Ana Cristina Lima; de Lima, Renata Souza; Moreira, Diogo Rodrigo de M; Cardoso, Marcos Veríssimo de O; Gouveia de Brito, Ana Carolina; Farias Dos Santos, Luciene Maria; Hernandes, Marcelo Zaldini; Kiperstok, Alice Costa; de Lima, Ricardo Santana; Soares, Milena B P

2006-06-01

41

Thiosemicarbazone fragment embedded within 1,2,4-triazole ring as inhibitors of Entamoeba histolytica.  

PubMed

A series of 1,2,4-triazole derivatives containing thiosemicarbazone linkage was synthesized and evaluated for their in vitro antiamoebic activity against HM1:IMSS strain of Entamoeba histolytica. All the compounds were capable of inhibiting the growth of E. histolytica out of which four compounds (IC(50)=0.28-1.38 ?M) were found to have better efficacy than the standard drug Metronidazole (IC(50)=1.8 ?M). Cytotoxicity of the active compounds was assessed by MTT assay using human breast cancer MCF-7 cell line, which revealed that all the compounds were low cytotoxic in the concentration range of 2.5-250 ?M. PMID:22444681

Siddiqui, Shadab Miyan; Salahuddin, Attar; Azam, Amir

2012-04-15

42

Benzaldehyde dehydrogenase from chitosan-treated Sorbus aucuparia cell cultures.  

PubMed

Cell cultures of Sorbus aucuparia respond to the addition of chitosan with the accumulation of the biphenyl phytoalexin aucuparin. The carbon skeleton of this inducible defense compound is formed by biphenyl synthase (BIS) from benzoyl-CoA and three molecules of malonyl-CoA. The formation of benzoyl-CoA proceeds via benzaldehyde as an intermediate. Benzaldehyde dehydrogenase (BD), which converts benzaldehyde into benzoic acid, was detected in cell-free extracts from S. aucuparia cell cultures. BD and BIS were induced by chitosan treatment. The preferred substrate for BD was benzaldehyde (K(m)=49 microM). Cinnamaldehyde and various hydroxybenzaldehydes were relatively poor substrates. BD activity was strictly dependent on the presence of NAD(+) as a cofactor (K(m)=67 microM). PMID:19409654

Gaid, Mariam M; Sircar, Debabrata; Beuerle, Till; Mitra, Adinpunya; Beerhues, Ludger

2009-09-01

43

Inactivation of Herpes Simplex Virus by Thiosemicarbazones and Certain Cations  

PubMed Central

We demonstrated that herpes simplex virus types 1 and 2, including a type 2 strain which transforms hamster cells in vitro, and Herpesvirus saimiri are inactivated by exposure to thiosemicarbazones. Because thiosemicarbazones are thought to interact with heavy metals in this inactivation process (9), we tested and found some of these herpesviruses to be susceptible to exposure to certain heavy metals. A virion polymerase was sought because the ribonucleic acid (RNA)-dependent deoxyribonucleic acid (DNA) polymerase of Rous sarcoma virus and the DNA-dependent RNA polymerase of vaccinia virus are inhibited. However, neither DNA nor RNA polymerase activity could be demonstrated in herpes simplex virions. The ability of thiosemicarbazone to ameliorate the course of herpes simplex virus infection in rabbit eyes was observed, but was considered insufficient to be of clinical importance. PMID:15825395

Levinson, Warren; Coleman, Virginia; Woodson, Bruce; Rabson, Alan; Lanier, Jeff; Whitcher, Jack; Dawson, Chandler

1974-01-01

44

In vitro and in vivo anticancer activity of copper bis(thiosemicarbazone) complexes.  

PubMed

Neutral and cationic copper bis(thiosemicarbazone) complexes bearing methyl, phenyl, and hydrogen, on the diketo-backbone of the ligand have been synthesized. All of them were characterized by spectroscopic methods and in three cases by X-ray crystallography. In vitro cytotoxicity studies revealed that they are cytotoxic unlike the corresponding zinc complexes. Copper complexes Cu(GTSC) and Cu(GTSCHCl) derived from glyoxal-bis(4-methyl-4-phenyl-3-thiosemicarbazone) (GTSCH(2)) are the most cytotoxic complexes against various human cancer cell lines, with a potency similar to that of the anticancer drug adriamycin and up to 1000 fold higher than that of the corresponding zinc complex. Tritiated thymidine incorporation assay revealed that Cu(GTSC) and Cu(GTSCHCl) inhibit DNA synthesis substantially. Cell cycle analyses showed that Cu(GTSC) and Cu(GTSCHCl) induce apoptosis in HCT116 cells. The Cu(GTSCHCl) complex caused distinct DNA cleavage and Topo II? inhibition unlike that for Cu(GTSC). In vivo administration of Cu(GTSC) significantly inhibits tumor growth in HCT116 xenografts in nude mice. PMID:23320568

Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G

2013-02-14

45

Production of benzaldehyde: a case study in a possible industrial application of phase-transfer catalysis  

Microsoft Academic Search

The conventional method of producing benzaldehyde by direct oxidation of toluene has a major drawback: low conversion to achieve high selectivity. Phase-transfer catalysis (PTC) may be used as an alternative route for benzaldehyde production. In the present study, routes to produce benzaldehyde from benzyl chloride in the liquid phase by using PTC have been examined based on the kinetic data

Justinus A. B Satrio; L. K Doraiswamy

2001-01-01

46

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

Microsoft Academic Search

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

Georgios I. Panoutsopoulos; Christine Beedham

2004-01-01

47

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

PubMed

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

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

1998-03-01

48

Preparation and Investegation of the Bonding Mode in the Complexes of Pt(II) with Thiosemicarbazone Ligands  

Microsoft Academic Search

Three different thiosemicarbazone (TSC) ligands, BTSC, ClTSC, and MeTSC, derived from benzophenone, p?chlorobenzaldehyde, and m?methoxybenzaldehyde, respectively, were complexed with K2PtCl4. The structures of the complexes were determined on the basis of elemental analyses, IR and H, N, and C NMR spectral studies, which support the formation of square?planer dimeric complexes of the type [LPtCl2PtL], where L is MeTSC and ClTSC,

M. S. Bakkar; M. Yamin Siddiqi; M. S. Monshi

2003-01-01

49

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

PubMed Central

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

2012-01-01

50

Contamination in HPLC quantified benzaldehyde is from polypropylene microtubes.  

PubMed

Semicarbazide-sensitive amine oxidase (SSAO; EC 1.4.3.6) is a copper-containing enzyme predominantly expressed by vascular smooth muscle cells. SSAO deaminates primary amines to produce aldehydes and oxygen peroxides, and may thus play a role in vascular damage. SSAO activity can be quantified by assaying benzaldehyde production using fluorescent derivatisation and separation by HPLC. We performed the derivatisation step in polypropylene or borosilicate glass tubes over 45 min at 95 degrees C. High and obstructing background levels of benzaldehyde were found in one batch of polypropylene vials, as opposed to its alternatives. Treatment and handling of product shipment into the country did not account for introduction of contaminant into packaged vials nor did any reagent used in the assay. We conclude that the source of contamination was most likely due to variation in the commercial production process. Use of borosilicate vials for assays based on aldehyde production and derivatisation is recommended. PMID:16188506

Shemesh, Tomer; Karschimkus, Connie; Rowley, Kevin G

2005-11-01

51

Biomass pyrolysis: thermal decomposition mechanisms of furfural and benzaldehyde.  

PubMed

The thermal decompositions of furfural and benzaldehyde have been studied in a heated microtubular flow reactor. The pyrolysis experiments were carried out by passing a dilute mixture of the aromatic aldehydes (roughly 0.1%-1%) entrained in a stream of buffer gas (either He or Ar) through a pulsed, heated SiC reactor that is 2-3 cm long and 1 mm in diameter. Typical pressures in the reactor are 75-150 Torr with the SiC tube wall temperature in the range of 1200-1800 K. Characteristic residence times in the reactor are 100-200 ?sec after which the gas mixture emerges as a skimmed molecular beam at a pressure of approximately 10 ?Torr. Products were detected using matrix infrared absorption spectroscopy, 118.2 nm (10.487 eV) photoionization mass spectroscopy and resonance enhanced multiphoton ionization. The initial steps in the thermal decomposition of furfural and benzaldehyde have been identified. Furfural undergoes unimolecular decomposition to furan + CO: C4H3O-CHO (+ M) ? CO + C4H4O. Sequential decomposition of furan leads to the production of HC?CH, CH2CO, CH3C?CH, CO, HCCCH2, and H atoms. In contrast, benzaldehyde resists decomposition until higher temperatures when it fragments to phenyl radical plus H atoms and CO: C6H5CHO (+ M) ? C6H5CO + H ? C6H5 + CO + H. The H atoms trigger a chain reaction by attacking C6H5CHO: H + C6H5CHO ? [C6H6CHO]* ? C6H6 + CO + H. The net result is the decomposition of benzaldehyde to produce benzene and CO. PMID:24050347

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

2013-09-14

52

Biomass pyrolysis: Thermal decomposition mechanisms of furfural and benzaldehyde  

NASA Astrophysics Data System (ADS)

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

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

2013-09-01

53

Tunable and Chemoselective Syntheses of Dihydroisobenzofurans and Indanones via Rhodium-Catalyzed Tandem Reactions of 2-Triazole-benzaldehydes and 2-Triazole-alkylaryl Ketones.  

PubMed

Two novel rhodium(II)-catalyzed tandem reactions were developed for the synthesis of dihydroisobenzofuran and indanone derivatives from 2-triazole-benzaldehydes and 2-triazole-alkylaryl ketones. Dihydroisobenzofuran derivatives were obtained in good yields with high regioselectivities when alcohols were used as nuclophiles in these reactions, whereas the replacement of the alcohol with water resulted in the diastereoselective formation of highly functionalized indanone derivatives. PMID:25327974

Shen, Hongjuan; Fu, Junkai; Gong, Jianxian; Yang, Zhen

2014-11-01

54

Synthesis and characterization of mixed-ligand diimine-piperonal thiosemicarbazone complexes of ruthenium(II): Biophysical investigations and biological evaluation as anticancer and antibacterial agents  

NASA Astrophysics Data System (ADS)

We have used a novel microwave-assisted method developed in our laboratories to synthesize a series of ruthenium-thiosemicarbazone complexes. The new thiosemicarbazone ligands are derived from benzo[ d][1,3]dioxole-5-carbaldehyde (piperonal) and the complexes are formulated as [(diimine) 2Ru(TSC)](PF 6) 2 (where the TSC is the bidentate thiosemicarbazone ligand). The diimine in the complexes is either 2,2'-bipyridine or 1,10-phenanthroline. The complexes have been characterized by spectroscopic means (NMR, IR and UV-Vis) as well as by elemental analysis. We have studied the biophysical characteristics of the complexes by investigating their anti-oxidant ability as well as their ability to disrupt the function of the human topoisomerase II enzyme. The complexes are moderately strong binders of DNA with binding constants of 10 4 M -1. They are also strong binders of human serum albumin having binding constants on the order of 10 4 M -1. The complexes show good in vitro anticancer activity against human colon cancer cells, Caco-2 and HCT-116 and indeed show some cytotoxic selectivity for cancer cells. The IC 50 values range from 7 to 159 ?M (after 72 h drug incubation). They also have antibacterial activity against Gram-positive strains of pathogenic bacteria with IC 50 values as low as 10 ?M; little activity was seen against Gram-negative strains. It has been established that all the compounds are catalytic inhibitors of human topoisomerase II.

Beckford, Floyd A.; Thessing, Jeffrey; Shaloski, Michael, Jr.; Canisius Mbarushimana, P.; Brock, Alyssa; Didion, Jacob; Woods, Jason; Gonzalez-Sarrías, Antonio; Seeram, Navindra P.

2011-04-01

55

Synthesis, characterization and biological evaluation of paeonol thiosemicarbazone analogues as mushroom tyrosinase inhibitors.  

PubMed

A series of hydroxy- and methoxy-substituted paeonol thiosemicarbazone analogues were synthesized as potential tyrosinase inhibitors and their inhibitory effects on mushroom tyrosinase and inhibitory mechanism were evaluated. Paeonol thiosemicarbazone analogues have been found exhibiting more remarkable inhibition than their indexcompounds on mushroom tyrosinase. Among them, compound 2,4-dihydroxy acetophenone-4-phenyl-3-thiosemicarbazone (d1) had the most potent inhibition activity with the IC50 value of 0.006 ± 0.001 mM, displayed as a reversible competitive inhibitor. The inhibitory ability of o- or p-substituted acetophenone thiosemicarbazones was: di-substituted acetophenone thiosemicarbazones>mono-substituted acetophenone thiosemicarbazones>non-substituted acetophenone thiosemicarbazones. Copper ions chelation assay explained that compound d1 exhibited competitive inhibition by forming a chelate with the copper ions at the catalytic domain of tyrosinase as well as indicate a 1.5:1 binding ratio of compound d1 with copper ions. In the fluorescence spectrum study, compound d1 behaved stronger fluorescence quenching on tyrosinase towards d1-Cu(2+) complex, inhibiting tyrosinase mainly by means of chelating the two copper ions in the active site. The newly synthesized compounds may serve as structural templates for designing and developing novel tyrosinase inhibitors. PMID:24120880

Zhu, Tian-Hua; Cao, Shu-Wen; Yu, Yan-Ying

2013-11-01

56

Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward ZnII, CdII, PdII and PtII ions: cytotoxic and apoptosis-inducing properties of the PtII complex.  

PubMed

A new thiosemicarbazone (LH2) derived from indole-7-carbaldehyde was synthesized and reacted with Zn(II), Cd(II), Pd(II) and Pt(II) salts. The reactions with zinc and cadmium salts in 2?:?1 (ligand-metal) molar ratio afforded complexes of the type MX2(LH2)2, (X = Cl, Br or OAc), in which the thiosemicarbazone acts as a neutral S-monodentate ligand. In the presence of potassium hydroxide, the reaction of LH2 with ZnBr2 resulted in deprotonation of the thiosemicarbazone at the hydrazine and indole nitrogens to form Zn(L)(CH3OH). The reaction of LH2 with K2PdCl4 in the presence of triethylamine, afforded Pd(L)(LH2) which contains two thiosemicarbazone ligands: one being dianionic N,N,S-tridentate while the other one is neutral S-monodentate. When PdCl2(PPh3)2 was used as the Pd(II) ion source, Pd(L)(PPh3) was obtained. In a similar manner, the analogous platinum complex, Pt(L)(PPh3), was synthesized. The thiosemicarbazone in the latter two complexes behaves in a dianionic N,N,S-tridentate fashion. The platinum complex was found to have significant cytotoxicity toward four cancer cells lines, namely MDA-MB-231, MCF-7, HT-29, and HCT-116 but not toward the normal liver WRL-68 cell line. The apoptosis-inducing properties of the Pt complex was explored through fluorescence microscopy visualization, DNA fragmentation analysis and propidium iodide flow cytometry. PMID:24442181

Ibrahim, Abeer A; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed

2014-03-14

57

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

PubMed Central

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

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

2014-01-01

58

Initial evaluation of the antitumour activity of KGP94, a functionalized benzophenone thiosemicarbazone inhibitor of cathepsin L.  

PubMed

Kinetic analysis of the mode of inhibition of cathepsin L by KGP94, a lead compound from a privileged library of functionalized benzophenone thiosemicarbazone derivatives, demonstrated that it is a time-dependent, reversible, and competitive inhibitor of the enzyme. These results are consistent with the formation of a transient covalent bond, and are supported by molecular modeling that places the thiocarbonyl of the inhibitor in proximity to the thiolate moiety of the enzyme active site Cys25. KGP94 significantly decreased the activity of cathepsin L toward human type I collagen, and impeded both migration and invasion of MDA-MB-231 human breast cancer cells. Growth retardation was achieved in vivo against both recently implanted and established tumours using a C3H mouse mammary carcinoma model. PMID:23168380

Chavarria, Gustavo E; Horsman, Michael R; Arispe, Wara M; Kumar, G D Kishore; Chen, Shen-En; Strecker, Tracy E; Parker, Erica N; Chaplin, David J; Pinney, Kevin G; Trawick, Mary Lynn

2012-12-01

59

Half-sandwich ruthenium-arene complexes with thiosemicarbazones: Synthesis and biological evaluation of [(?6-p-cymene)Ru(piperonal thiosemicarbazones)Cl]Cl complexes  

PubMed Central

The synthesis and characterization of a number of organometallic ruthenium(II) complexes containing a series of bidentate thiosemicarbazone ligands derived from piperonal is reported. The structure of compounds have been confirmed by spectroscopic analysis (IR and NMR) as well as X-ray crystallographic analysis of [(?6-p-cymene)Ru(pPhTSC)Cl]Cl (4) (pPhTSC is piperonal-N(4)-phenylthiosemicarbazone). The interaction of the complexes ([(?6-p-cymene)Ru(pEtTSC)Cl]Cl) (3) (pEtTSC is piperonal-N(4)-ethylthiosemicarbazone) and 4 with calf thymus DNA, human serum albumin (HSA) and pBR322 plasmid DNA were studied by spectroscopic, gel electrophoresis and hydrodynamic methods. The apparent binding constant for the interaction with DNA was determined to be 3.97 × 103 M?1 and 4.07 × 103 M?1 at 293 K for 3 and 4 respectively. The complexes bind strongly to HSA with binding constants of 2.94 × 104 M?1 and 12.2 × 104 M?1 at 296 K for 3 and 4 respectively. The in vitro anticancer activity of 3 and 4 has been evaluated against two human colon cancer cell line (HCT-116 and Caco-2) with IC50 values in the range 26 – 150 µM. Both 3 and 4 show good activity as a catalytic inhibitor of human topoisomerase II at concentrations as low as 20 µM. The proficiency of 3 and 4 to act as antibacterial agents was also evaluated against six pathogenic bacterial strains with the best activity seen against Gram-positive strains. PMID:21666776

Dourth, Deidra; Shaloski, Michael; Didion, Jacob; Thessing, Jeffrey; Woods, Jason; Crowell, Vernon; Gerasimchuk, Nikolay; Gonzalez-Sarrias, Antonio; Seeram, Navindra P.

2011-01-01

60

Spectral, thermal, electrochemical and analytical studies on Cd(II) and Hg(II) thiosemicarbazone complexes.  

PubMed

The coordination characteristic of the investigated thiosemicarbazones towards hazard pollutants, Cd(II) and Hg(II), becomes the first goal. Their complexes have been studied by microanalysis, thermal, electrochemical and spectral (electronic, IR and MS) studies. The substitutent (salicylaldehyde, acetophenone, benzophenone, o-hydroxy-p-methoxybenzophenone or diacetylmonoxime) plays an important role in the complex formation. The coordination sites were the S for thiosemicarbazide (HTS); NN for benzophenone thiosemicarbazone (HBTS); NS for acetophenone thiosemicarbazone (HATS) and salicylaldehyde thiosemicarbazone (H2STS); NNS or NSO for diacetylmonoxime thiosemicarbazone (H2DMTS). The stability constants of Hg(II) complexes were higher than Cd(II). The kinetic and thermodynamic parameters for the different thermal decomposition steps in the complexes have been evaluated. The activation energy values of the first step ordered the complexes as: [Cd(H2STS)Cl2]H2O > [Cd(H2DAMTS)Cl2] > [Cd(HBTS)2Cl2]2H2O > [Cd(HATS)2Cl2]. The CV of [Cd(H2STS)Cl2]H2O and [Hg(HBTS)Cl2] were recorded. The use of H2DMTS as a new reagent for the separation and determination of Cd(II) ions from water and some synthetic samples using flotation technique is aimed to be discussed. PMID:18178519

El-Asmy, A A; El-Gammal, O A; Saleh, H S

2008-11-01

61

Spectral, thermal, electrochemical and analytical studies on Cd(II) and Hg(II) thiosemicarbazone complexes  

NASA Astrophysics Data System (ADS)

The coordination characteristic of the investigated thiosemicarbazones towards hazard pollutants, Cd(II) and Hg(II), becomes the first goal. Their complexes have been studied by microanalysis, thermal, electrochemical and spectral (electronic, IR and MS) studies. The substitutent (salicylaldehyde, acetophenone, benzophenone, o-hydroxy- p-methoxybenzophenone or diacetylmonoxime) plays an important role in the complex formation. The coordination sites were the S for thiosemicarbazide (HTS); NN for benzophenone thiosemicarbazone (HBTS); NS for acetophenone thiosemicarbazone (HATS) and salicylaldehyde thiosemicarbazone (H 2STS); NNS or NSO for diacetylmonoxime thiosemicarbazone (H 2DMTS). The stability constants of Hg(II) complexes were higher than Cd(II). The kinetic and thermodynamic parameters for the different thermal decomposition steps in the complexes have been evaluated. The activation energy values of the first step ordered the complexes as: [Cd(H 2STS)Cl 2]H 2O > [Cd(H 2DAMTS)Cl 2] > [Cd(HBTS) 2Cl 2]2H 2O > [Cd(HATS) 2Cl 2]. The CV of [Cd(H 2STS)Cl 2]H 2O and [Hg(HBTS)Cl 2] were recorded. The use of H 2DMTS as a new reagent for the separation and determination of Cd(II) ions from water and some synthetic samples using flotation technique is aimed to be discussed.

El-Asmy, A. A.; El-Gammal, O. A.; Saleh, H. S.

2008-11-01

62

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

PubMed

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

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

2014-11-01

63

Design, synthesis and biological evaluation of new aryl thiosemicarbazone as antichagasic candidates.  

PubMed

The present work reports on the synthesis, biological assaying and docking studies of a series of 12 aryl thiosemicarbazones, which were planned to act over two main enzymes, cruzain and trypanothione reductase. These enzymes are used as targets of trypanocidal activity in Chagas disease control with a minimal mutagenic profile. Three p-nitroaromatic thiosemicarbazones showed high activity against Trypanosoma cruzi in in vitro assays (IC50 < 57 ?M), and no mutagenic profile was observed in micronucleous tests. Although the in vitro inhibition test showed that 10-?M doses of eight compounds inhibited cruzain activity, no correlation was found between cruzain inhibition and trypanocidal activity. PMID:23851115

Blau, Lorena; Menegon, Renato Farina; Trossini, Gustavo H G; Molino, Joăo Vitor Dutra; Vital, Drielli Gomes; Cicarelli, Regina Maria Barretto; Passerini, Gabriela Duó; Bosquesi, Priscila Longhin; Chin, Chung Man

2013-09-01

64

Ligands for molecular imaging: the synthesis of bis(thiosemicarbazone) ligands.  

PubMed

Bis(thiosemicarbazones) have been of interest to chemists for over fifty years; they display antitumour, antibiotic and antiviral properties. Recently it has become apparent that they may also provide a convenient way of labelling biologically active molecules by using metallic radionuclides and/or fluorescence. Although apparently simple, the synthesis of bis(thiosemicarbazone) ligands can be problematic. This article provides a summary of the published literature, based on the synthetic strategies used and indicates some of the difficulties that may arise. PMID:16795112

Christlieb, Martin; Dilworth, Jonathan R

2006-08-16

65

The influence of substituents at the C 2 carbon of thiosemicarbazones on bonding and nuclearity of silver(I) complexes  

Microsoft Academic Search

Several thiosemicarbazones of the type (R1R2C2N3–N2H–C(S)N1H2) were reacted with silver salts, yielding a variety of complexes with different ligand coordination modes, nuclearities and stoichiometries. Reaction of silver(I) chloride with 2-benzoylpyridine thiosemicarbazone, HL1, has formed a sulfur-bridged dimer, [Ag2Cl2(?-S–HL1)2(PPh3)2] 2, while a similar reaction with 2-acetylpyridine thiosemicarbazone, HL2, has formed a mononuclear complex {AgCl(?1-S–HL2)2(PPh3)] 1, with an unusual Ag:ligand:PPh3 stoichiometry of

Tarlok S. Lobana; Sonia Khanna; Geeta Hundal; Ben-Jie Liaw; Chen W. Liu

2008-01-01

66

Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.  

PubMed

Rhenium(V) complexes containing tridentate thiosemicarbazones/thiosemicarbazides (H2L1) derived from N-[N?,N?-dialkylamino(thiocarbonyl)]benzimidoyl chlorides with 4,4-dialkylthiosemicarbazides have been synthesized by ligand-exchange reactions starting from [ReOCl(L1)]. The chlorido ligand of [ReOCl(L1)] (4) is readily replaced and reactions with ammonium thiocyanate or potassium cyanide give [ReO(NCS)(L1)] (6) and [ReO(CN)(L1)] (7), respectively. The reaction of (NBu4)[ReOCl4] with H2L1 and two equivalents of ammonium thiocyanate, however, gives in a one-pot reaction [ReO(NCS)2(HL1)] (8), in which the pro-ligand H2L1 is only singly deprotonated. An oxo-bridged, dimeric nitridorhenium(V) compound of the composition [{ReN(HL1)}2O] (11) is obtained from a reaction of (NBu4)[ReOCl4], H2L1 and sodium azide. The six-coordinate complexes [ReO(L1)(Ph2btu)] (12), where HPh2btu is N,N-diphenyl-N?-benzoylthiourea, can be obtained by treatment of [ReOCl(L1)] with HPh2btu in the presence of NEt3. Studies of the antiproliferative effects of the [ReOX(L1)] system (X = Cl?, NCS? or CN?) on breast cancer cells show that the lability of a monodentate ligand seems to play a key role in the cytotoxic activity of the metal complexes, while the substitution of this ligand by the chelating ligand Ph2btu? completely terminates the cytotoxicity. PMID:23400226

Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M; Abram, Ulrich

2013-04-14

67

Synthesis and spectral feature of benzophenone-substituted thiosemicarbazones and their Ni(II) and Cu(II) complexes  

Microsoft Academic Search

The ligational behavior of 2-hydroxybenzophenone and 2-hydroxy-4-methoxybenzophenone N-substituted thiosemicarbazones towards Ni(II) and Cu(II) ions has been investigated. The isolated complexes were identified by elemental analyses, molar conductance, magnetic moment, IR, UV–vis and ESR spectral studies. The IR spectra indicated that the investigated thiosemicarbazones lost the N2 proton or the N2 and OH protons and act as mononegative or binegative tridentate

A. A. El-Asmy; G. A. A. Al-Hazmi

2009-01-01

68

Polarizabilities and dipole moments of benzaldehyde, benzoic acid and oxalic acid in polar and nonpolar solvents  

Microsoft Academic Search

The purpose of this report is to calculate the orientation polarizability of benzaldehyde, benzoic acid and oxalic acid in polar and nonpolar solvents. The calculations are based on the knowledge of permanent dipole moment of the solutions. Other important physical quantities such as refractive index, density, specific volume, dielectric constant, molar polarization and molar refractivity are also calculated. Dipole moments

Nalan Tekin; Mustafa Cebe; Çelik Tar?mc?

2004-01-01

69

Design, synthesis, and biological evaluation of potent thiosemicarbazone based cathepsin L inhibitors.  

PubMed

A small library of 36 functionalized benzophenone thiosemicarbazone analogs has been prepared by chemical synthesis and evaluated for their ability to inhibit the cysteine proteases cathepsin L and cathepsin B. Inhibitors of cathepsins L and B have the potential to limit or arrest cancer metastasis. The six most active inhibitors of cathepsin L (IC50<85 nM) in this series incorporate a meta-bromo substituent in one aryl ring along with a variety of functional groups in the second aryl ring. These six analogs are selective for their inhibition of cathepsin L versus cathepsin B (IC50>10,000 nM). The most active analog in the series, 3-bromophenyl-2'-fluorophenyl thiosemicarbazone 1, also efficiently inhibits cell invasion of the DU-145 human prostate cancer cell line. PMID:20089402

Kishore Kumar, G D; Chavarria, Gustavo E; Charlton-Sevcik, Amanda K; Arispe, Wara M; Macdonough, Matthew T; Strecker, Tracy E; Chen, Shen-En; Siim, Bronwyn G; Chaplin, David J; Trawick, Mary Lynn; Pinney, Kevin G

2010-02-15

70

Synthesis and biological evaluation of some N 4 -substituted 5-nitroisatin-3-thiosemicarbazones  

Microsoft Academic Search

A series of 5-nitroisatin-3-thiosemicarbazones 2a–2l was synthesised and evaluated for selected biological activities. The brine shrimp lethality bioassay was carried out to\\u000a study their in vitro cytotoxicity potential and besides, their antifungal, phytotoxic and urease inhibitory effects were also\\u000a investigated. Only compound 2j proved to be active in the brine shrimp assay exhibiting LD50 value 1.16 × 10?3 M. Compounds 2a and 2d

Humayun Pervez; Nazia Manzoor; Muhammad Yaqub; Faiz-ul-Hassan Nasim; Khalid M. Khan

71

A mercury(II) ion-selective electrode based on neutral salicylaldehyde thiosemicarbazone  

Microsoft Academic Search

A new ion-selective PVC membrane electrode based on salicylaldehyde thiosemicarbazone as an ionophore is developed successfully as sensor for mercury(II) ions. The electrode shows excellent potentiometric response characteristics and displays a linear log[Hg2+] versus EMF response over a wide concentration range of 1.778×10?6–1.0×10?1 M with Nernstian slope of 29 mV per decade with the detection limit of 1.0×10?6 M. The

R. K Mahajan; Inderpreet Kaur; T. S Lobana

2003-01-01

72

Spectral, thermal, electrochemical and analytical studies on Cd(II) and Hg(II) thiosemicarbazone complexes  

Microsoft Academic Search

The coordination characteristic of the investigated thiosemicarbazones towards hazard pollutants, Cd(II) and Hg(II), becomes the first goal. Their complexes have been studied by microanalysis, thermal, electrochemical and spectral (electronic, IR and MS) studies. The substitutent (salicylaldehyde, acetophenone, benzophenone, o-hydroxy-p-methoxybenzophenone or diacetylmonoxime) plays an important role in the complex formation. The coordination sites were the S for thiosemicarbazide (HTS); NN for

A. A. El-Asmy; O. A. El-Gammal; H. S. Saleh

2008-01-01

73

Design, synthesis, and biological evaluation of potent thiosemicarbazone based cathepsin L inhibitors  

Microsoft Academic Search

A small library of 36 functionalized benzophenone thiosemicarbazone analogs has been prepared by chemical synthesis and evaluated for their ability to inhibit the cysteine proteases cathepsin L and cathepsin B. Inhibitors of cathepsins L and B have the potential to limit or arrest cancer metastasis. The six most active inhibitors of cathepsin L (IC50<85nM) in this series incorporate a meta-bromo

G. D. Kishore Kumar; Gustavo E. Chavarria; Amanda K. Charlton-Sevcik; Wara M. Arispe; Matthew T. MacDonough; Tracy E. Strecker; Shen-En Chen; Bronwyn G. Siim; David J. Chaplin; Mary Lynn Trawick; Kevin G. Pinney

2010-01-01

74

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

PubMed Central

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

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

75

Synthesis, structures, spectroscopy and antimicrobial properties of complexes of copper(II) with salicylaldehyde N-substituted thiosemicarbazones and 2,2'-bipyridine or 1,10-phenanthroline.  

PubMed

Among the biometals (Cu, Co, Ni-cofactors in many enzymes), copper derivatives of O, N, S-donor salicylaldehyde thiosemicarbazones have received considerable attention owing to their potential biological applications. Eight new complexes of salicylaldehyde-N-substituted thiosemicarbazones [5-MeO-2-HO-C?H?-C(2)(H)N(3)-N(2)H-C(1)(S)-N(1)HR; R = Me, H2L(1); Et, H?L(1), Ph, H?L(3), H, H?L(4)] with copper(II), namely, [Cu(?(3)-O,N,S-L)( ?(2)-N,N-L')] {(L)(2-) = (L(1))(2-), L' = bipy, 1, phen, 2; (L)(2-) = (L(2))(2-), L' = bipy, 3, phen, 4; (L)(2-) = (L(3))(2-), L' = bipy, 5, phen, 6; (L)(2-) = (L(4))(2-), L' = bipy, 7, phen, 8} have been isolated. Complexes have slightly distorted square pyramidal geometry around the metal center (? parameter = 0.243-0.357) and display weak to intense fluorescence in the region, 375-475 nm. These copper complexes have shown significant growth inhibitory activity (antimicrobial activity) against Staphylococcus aureus (MTCC740), methicillin resistant Staphylococcus aureus (MRSA), Klebsiella pneumoniae 1 (MTCC109), Shigella flexneri (MTCC1457), Pseudomonas aeruginosa (MTCC741) and Candida albicans (MTCC227). The activity against MRSA is an interesting observation as the commercially available gentamycin is found to be inactive against this bacterial strain. Specifically complex 5 formed by 5-methoxysalicylaldehyde-N-phenylthiosemicatbazone has shown novel antimicrobial activity against various bacteria and yeast investigated. PMID:24583354

Lobana, Tarlok S; Indoria, Shikha; Jassal, Amanpreet Kaur; Kaur, Harpreet; Arora, Daljit S; Jasinski, Jerry P

2014-04-01

76

Proton transfer reactions between nitric acid and acetone, hydroxyacetone, acetaldehyde and benzaldehyde in the solid phase.  

PubMed

The heterogeneous and homogeneous reactions of acetone, hydroxyacetone, acetaldehyde and benzaldehyde with solid nitric acid (HNO(3)) films have been studied with Reflection-Absorption Infrared Spectroscopy (RAIRS) under Ultra-High Vacuum (UHV) conditions in the 90-170 K temperature range. In the bulk or at the surface of the films, nitric acid transfers its proton to the carbonyl function of the organic molecules, producing protonated acetone-H(+), hydroxyacetone-H(+), acetaldehyde-H(+) and benzaldehyde-H(+), and nitrate anions NO(3)(-), a reaction not observed when nitric acid is previously hydrated [J. Lasne, C. Laffon and Ph. Parent, Phys. Chem. Chem. Phys., 2012, 14, 697]. This provides a molecular-scale description of the carbonyl protonation reaction in an acid medium, the first step of the acid-catalyzed condensation of carbonyl compounds, fuelling the growth of secondary organic aerosols (SOA) in the atmosphere. PMID:23090634

Lasne, Jérôme; Laffon, Carine; Parent, Philippe

2012-12-01

77

Biotransformation of benzaldehyde into ( R )-phenylacetylcarbinol by filamentous fungi or their extracts  

Microsoft Academic Search

Extracts of 14 filamentous fungi were examined regarding their potential for production of (R)-phenylacetylcarbinol [(R)-PAC], which is the chiral precursor in the manufacture of the pharmaceuticals ephedrine and pseudoephedrine. Benzaldehyde and pyruvate were transformed at a scale of 1.2 ml into PAC by cell-free extracts of all selected strains, covering the broad taxonomic spectrum of Ascomycota, Zygomycota and Basidiomycota. Highest

B. Rosche; V. Sandford; M. Breuer; B. Hauer; P. Rogers

2001-01-01

78

Antifungal activity of redox-active benzaldehydes that target cellular antioxidation  

Microsoft Academic Search

Background  Disruption of cellular antioxidation systems should be an effective method for control of fungal pathogens. Such disruption\\u000a can be achieved with redox-active compounds. Natural phenolic compounds can serve as potent redox cyclers that inhibit microbial\\u000a growth through destabilization of cellular redox homeostasis and\\/or antioxidation systems. The aim of this study was to identify\\u000a benzaldehydes that disrupt the fungal antioxidation system.

Jong H Kim; Kathleen L Chan; Noreen Mahoney; Bruce C Campbell

2011-01-01

79

The Cytotoxicity of Benzaldehyde Nitrogen Mustard-2-Pyridine Carboxylic Acid Hydrazone Being Involved in Topoisomerase II? Inhibition  

PubMed Central

The antitumor property of iron chelators and aromatic nitrogen mustard derivatives has been well documented. Combination of the two pharmacophores in one molecule in drug designation is worth to be explored. We reported previously the syntheses and preliminary cytotoxicity evaluation of benzaldehyde nitrogen mustard pyridine carboxyl acid hydrazones (BNMPH) as extended study, more tumor cell lines (IC50 for HepG2: 26.1 ± 3.5??M , HCT-116: 57.5 ± 5.3??M, K562: 48.2 ± 4.0??M, and PC-12: 19.4 ± 2.2??M) were used to investigate its cytotoxicity and potential mechanism. In vitro experimental data showed that the BNMPH chelating Fe2+ caused a large number of ROS formations which led to DNA cleavage, and this was further supported by comet assay, implying that ROS might be involved in the cytotoxicity of BNMPH. The ROS induced changes of apoptosis related genes, but the TFR1 and NDRG1 metastatic genes were not obviously regulated, prompting that BNMPH might not be able to deprive Fe2+ of ribonucleotide reductase. The BNMPH induced S phase arrest was different from that of iron chelators (G1) and alkylating agents (G2). BNMPH also exhibited its inhibition of human topoisomerase II?. Those revealed that the cytotoxic mechanism of the BNMPH could stem from both the topoisomerase II inhibition, ROS generation and DNA alkylation. PMID:24995306

Fu, Yun; Zhou, Sufeng; Liu, Youxun; Yang, Yingli; Sun, Xingzhi; Li, Changzheng

2014-01-01

80

Synthesis, crystal structures and multinuclear NMR spectroscopy of copper(I) complexes with benzophenone thiosemicarbazone  

Microsoft Academic Search

Reactions of benzophenone thiosemicarbazone (Hbztsc, Ph2CN-NH-C(S)-NH2) with copper(I) chloride\\/bromide in the presence of two moles of PPh3, formed monomeric tetrahedral complexes, [CuX (?1-S-Hbztsc)(PPh3)2]·CH3CN (X=Cl, 1; Br, 2). It did not form similar complex with copper(I) iodide; rather it formed a trigonal planar complex [CuI(?1-S-Hbztsc)2] (3) with two moles of Hbztsc in absence of PPh3. All the complexes have been characterized

Tarlok S. Lobana; Sonia Khanna; Ray J. Butcher; A. D. Hunter; M. Zeller

2006-01-01

81

Probing the Active Center of Benzaldehyde Lyase with Substitutions and the Pseudosubstrate Analogue Benzoylphosphonic Acid Methyl Ester  

SciTech Connect

Benzaldehyde lyase (BAL) catalyzes the reversible cleavage of (R)-benzoin to benzaldehyde utilizing thiamin diphosphate and Mg{sup 2+} 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 types of reactions. Here methyl benzoylphosphonate, an excellent electrostatic analogue 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 {angstrom} (Protein Data Bank entry 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.

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

2008-07-28

82

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

PubMed

Mononuclear ruthenium(III) complexes of the type [RuX(EPh(3))(2)(L)] (E=P or As; X=Cl or Br; L=dibasic terdentate dehydroacetic acid thiosemicarbazones) have been synthesized from the reaction of thiosemicarbazone ligands with ruthenium(III) precursors, [RuX(3)(EPh(3))(3)] (where E=P, X=Cl; E=As, X=Cl or Br) and [RuBr(3)(PPh(3))(2)(CH(3)OH)] in benzene. The compositions of the complexes have been established by elemental analysis, magnetic susceptibility measurement, FT-IR, UV-vis and EPR spectral data. These complexes are paramagnetic and show intense d-d and charge transfer transitions in dichloromethane. The complexes show rhombic EPR spectra at LNT which are typical of low-spin distorted octahedral ruthenium(III) species. All the complexes are redox active and display an irreversible metal centered redox processes. Complex [RuCl(PPh(3))(2)(DHA-PTSC)] (5) was used as catalyst for transfer hydrogenation of ketones in the presence of isopropanol/KOH and was found to be the active species. PMID:20044307

Raja, N; Ramesh, R

2010-02-01

83

fac-Bromidotricarbonyl[2-(diisopropylphosphanyl)benzaldehyde-?2 O,P]rhenium(I)  

PubMed Central

The structure of the title complex, [ReBr(C13H19OP)(CO)3], displays a facial coordination of the three CO ligands and a ?2 O,P coordination mode of the 2-diisopropyl­phosphino­benzaldehyde ligands. The Re—C bond distance for the CO ligand trans to the P atom is, due to its trans influence, elongated to 1.943?(3)?Ĺ, showing that this CO ligand is more weakly bound to the Re centre than the other two. PMID:22969489

Apostolidis, Christos; Ahlmann, Martin; Walter, Olaf

2012-01-01

84

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

PubMed

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

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

2014-02-01

85

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

NASA Astrophysics Data System (ADS)

Single crystals of triglycine sulphate (TGS) doped with 1 mol% of 4-(dimethylamino) benzaldehyde (DB) have been grown from aqueous solution at ambient temperature by slow evaporation technique. The effect of dopant on the crystal growth and dielectric, pyroelectric and mechanical properties of TGS crystal have been investigated. X-ray powder diffraction pattern for pure and doped TGS was collected to determine the lattice parameters. FTIR spectra were employed to confirm the presence of 4-(dimethylamino) benzaldehyde in TGS crystal, qualitatively. The dielectric permittivity has been studied as a function of temperature by cooling the sample at a rate of 1 °C/min. An increase in the Curie temperature Tc=51 °C (for pure TGS, Tc=48.5 °C) and decrease in maximum permittivity has been observed for doped TGS when compared to pure TGS crystal. Pyroelectric studies on doped TGS were carried out to determine pyroelectric coefficient. The Vickers's hardness of the doped TGS crystals along (0 1 0) face is higher than that of pure TGS crystal for the same face. Domain patterns on b-cut plates were observed using scanning electron microscope. The low dielectric constant, higher pyroelectric coefficient and higher value of hardness suggest that doped TGS crystals could be a potential material for IR detectors.

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

2009-11-01

86

Derivate  

NSDL National Science Digital Library

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.

2010-01-01

87

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

PubMed

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

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

2014-10-01

88

Preparation and characterization of new and improved soluble-starches, -amylose, and -amylopectin by reaction with benzaldehyde/zinc chloride.  

PubMed

Seven different starches from potato, rice, maize, waxymaize, amylomaize-VII, shoti, and tapioca, and potato amylose and potato amylopectin have been reacted with benzaldehyde, catalyzed by ZnCl(2), to give new water-soluble starches and water soluble-amylose and soluble-amylopectin. In contrast to the native starches, aqueous solutions of the modified starches could not be precipitated with 2-, 3-, or 4-volumes of ethanol. ?-Amylase gave no reaction with the modified starches, in contrast to the native starches, indicating that the modification occurred exclusively at the nonreducing-ends, giving 4,6-benzylidene-D-glucopyranose at the nonreducing-ends. Reactions of ?-amylase with native and modified potato and rice starches gave a decrease in the triiodide blue color and an increase in the reducing-value that were similar for the native- and modified-starches, indicating the modified starches had not been significantly altered by the modification. The benzaldehyde-modified starches and benzaldehyde-modified potato amylose and potato amylopectin components, therefore, have a starch structure very much like their native counterparts, in contrast to the Lintner, Small, and the alcohol/acid-hydrolyzed soluble-starches that have undergone acid hydrolysis. The benzaldehyde-modified starches and starch components have significantly higher water solubility than their native counterparts even though the structures of the modified starches had only been slightly altered from the structures of their native counterparts. They all gave crystal-clear solutions that did not retrograde. PMID:22055814

Johnston, David A; Mukerjea, Rupendra; Robyt, John F

2011-12-13

89

Unsymmetrical salen-type ligands: high yield synthesis of salen-type Schiff bases containing two different benzaldehyde moieties  

Microsoft Academic Search

Salen-type Schiff base ligands incorporating two different benzylidene moieties and a diamine backbone were synthesized in high yield (80–90%) under mild conditions via a stepwise approach. In the first step, anhydrous hydrochloric acid was used to selectively protect one amino group of the vicinal diamine backbone. The resulting ammonium salt was added to a substituted benzaldehyde providing access to a

E. Joseph Campbell; SonBinh T Nguyen

2001-01-01

90

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

PubMed

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

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

2014-03-21

91

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

Microsoft Academic Search

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

Masaaki Watanuki; Kenji Sakaguchi

92

Influence of controlled-pH and uncontrolled-pH operations on recombinant benzaldehyde lyase production by Escherichia coli  

Microsoft Academic Search

To select the host microorganism having the highest benzaldehyde lyase (BAL) production capacity, pUC18?bal gene was transferred into four Escherichia coli strains. As the highest enzyme activity was obtained with E. coli K12 (ATCC 10798) carrying pUC18?bal gene, BAL production medium was designed for K12. Using the designed medium containing 8.0kgm?3 glucose, 5.0kgm?3 (NH4)2HPO4 and the salt solution, the effects

Pinar Çalik; Pinar Yilgör; Ayhan S. Demir

2006-01-01

93

Benzaldehyde is a precursor of phenylpropylamino alkaloids as revealed by targeted metabolic profiling and comparative biochemical analyses in Ephedra spp.  

PubMed

Ephedrine and pseudoephedrine are phenylpropylamino alkaloids widely used in modern medicine. Some Ephedra species such as E. sinica Stapf (Ephedraceae), a widely used Chinese medicinal plant (Chinese name: Ma Huang), accumulate ephedrine alkaloids as active constituents. Other Ephedra species, such as E. foeminea Forssk. (syn. E. campylopoda C.A. Mey) lack ephedrine alkaloids and their postulated metabolic precursors 1-phenylpropane-1,2-dione and (S)-cathinone. Solid-phase microextraction analysis of freshly picked young E. sinica and E. foeminea stems revealed the presence of increased benzaldehyde levels in E. foeminea, whereas 1-phenylpropane-1,2-dione was detected only in E. sinica. Soluble protein preparations from E. sinica and E. foeminea stems catalyzed the conversion of benzaldehyde and pyruvate to (R)-phenylacetylcarbinol, (S)-phenylacetylcarbinol, (R)-2-hydroxypropiophenone (S)-2-hydroxypropiophenone and 1-phenylpropane-1,2-dione. The activity, termed benzaldehyde carboxyligase (BCL) required the presence of magnesium and thiamine pyrophosphate and was 40 times higher in E. sinica as compared to E. foeminea. The distribution patterns of BCL activity in E. sinica tissues correlates well with the distribution pattern of the ephedrine alkaloids. (S)-Cathinone reductase enzymatic activities generating (1R,2S)-norephedrine and (1S,1R)-norephedrine were significantly higher in E. sinica relative to the levels displayed by E. foeminea. Surprisingly, (1R,2S)-norephedrine N-methyltransferase activity which is a downstream enzyme in ephedrine biosynthesis was significantly higher in E. foeminea than in E. sinica. Our studies further support that benzaldehyde is the metabolic precursor to phenylpropylamino alkaloids in E. sinica. PMID:22727117

Krizevski, Raz; Bar, Einat; Shalit, O R; Levy, Asaf; Hagel, Jillian M; Kilpatrick, Korey; Marsolais, Frédéric; Facchini, Peter J; Ben-Shabat, Shimon; Sitrit, Yaron; Lewinsohn, Efraim

2012-09-01

94

A gold(I) complex with a vitamin K 3 derivative: Characterization and antitumoral activity  

Microsoft Academic Search

Reaction of the vitamin K3 derivative menadione sodium bisulfite thiosemicarbazone (NaK3TSC) with chloro(triethylphosphine)gold(I) afforded the complex [AuPEt3(K3TSC)]. This compound consists of discrete molecules in which the metal is almost linearly coordinated to P and S. Preliminary in vitro screening showed significant anti-cancer activity, notably against the cisplatin-resistant cell line A2780cis.

José S. Casas; Eduardo E. Castellano; María D. Couce; Javier Ellena; Agustín Sánchez; José Sordo; Carmen Taboada

2006-01-01

95

Synthesis of new 2-thiouracil-5-sulfonamide derivatives with biological activity  

Microsoft Academic Search

2-Thiouracil-5-sulfonylchloride1 reacted with a series of aromatic and heterocyclic amines to give2a-j. The same compound1 was reacted with a series of sulphonamides giving different sulphonamides of type3a-e. On the other hand compound1 was allowed to react with p-aminoacetophenone givining compound4 which in turn was allowed to react with derivatives of alkyl thiosemicarbazides to give thiosemicarbazones of type5a-e, also compound4 was

O. A. Fathalla; W. A. Zaghary; H. H. Radwan; S. M. Awad; M. S. Mohamed

2002-01-01

96

Continuous transformation of benzaldehyde to benzyl alcohol by Rhodotorula mucilaginosa immobilized in an ultrafiltration cell  

SciTech Connect

Microbiological transformation of benzaldehyde accomplished by the fungus Rhodotorula mucilaginosa immobilized in the ultrafiltration cell was studied. A polysulfone membrane formed on a sintered PVC support was used for the separation of the transformation product from the cellular material. Kinetic investigations have led to results which are typical of continuously fed stirred tank reactors (CFSTR)-the value of the maximum reaction rate (Vmax) and apparent Michaelis constant (K'm) are practically independent of the substrate retention time (calculated in terms of the flow intensity value). A strong relationship was found to occur between Vmax and biomass concentration in the reactor. Study of the apparent enzyme stability shows that the decrease in the biocatalyst activity is chiefly caused by penetration of the cells through the membrane. The experimental results were approximated in terms of the adopted mathematical model. Based on this model, the half-lives (t1/2) of enzyme activities were determined. The t1/2 value varies from 35 to 82 days and depends both on the permeate flux through the membrane and on the separation properties of the membrane. (Refs. 15).

Wisniewski, J.; Winnicki, T.; Majewska, K.

1982-06-01

97

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

PubMed

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

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

2014-11-01

98

Conformation and coordination of 1-phenyl-3-methyl-4-benzal-5-pyrazolone thiosemicarbazone: A density functional study  

NASA Astrophysics Data System (ADS)

Density functional theory method has been employed to study the molecular properties of four tautomers and their deprotonated species of 1-phenyl-3-methyl-4-benzal-5-pyrazolone thiosemicarbazone. The solvent effect has been investigated by applying the polarizable continuum model of the self-consistent reaction field theory. The condensed Fukui functions have been calculated to assess the relative reactivity of different sites in the ligands. Molecular electrostatic potential is obtained as an additional molecular descriptor for revealing the regions of the molecular species to which an electrophile would initially be attracted.

Wu, Dongling; Jia, Dianzeng; Liu, Lang; Liu, Anjie

99

Liquid chromatographic determination of chelates of cobalt (II), copper (II) and iron (II) with 2-thiophonaldehyde-4-phenyl-3-thiosemicarbazone  

Microsoft Academic Search

Summary  A new chelating reagent 2-thiophenaldehyde-4-phenyl-3-thiosemicarbazone (TAPT) has been examined for high performance liquid\\u000a chromatographic (HPLC) separations of cobalt (II), copper(II) and iron (II) or cobalt (II), nickel (II), iron (II), copper\\u000a (II) and mercury (II) as metal chelates on a C18, 5?m column (2504 mm i.d.) The chelates were eluted isocratically with methanol: acetonitrile: water containing sodium acetate\\u000a and tetrabutylammonium

Y. Zhao

2000-01-01

100

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

PubMed Central

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

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

2012-01-01

101

Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.  

PubMed

The nickel(II), copper(II), and zinc(II) complexes of the proline-thiosemicarbazone hybrids 3-methyl-(S)-pyrrolidine-2-carboxylate-2-formylpyridine thiosemicarbazone (l-Pro-FTSC or (S)-H2L(1)) and 3-methyl-(R)-pyrrolidine-2-carboxylate-2-formylpyridine thiosemicarbazone (d-Pro-FTSC or (R)-H2L(1)), as well as 3-methyl-(S)-pyrrolidine-2-carboxylate-2-formylpyridine 4,4-dimethyl-thiosemicarbazone (dm-l-Pro-FTSC or (S)-H2L(2)), namely, [Ni(l-Pro-FTSC-2H)]2 (1), [Ni(d-Pro-FTSC-2H)]2 (2), [Ni(dm-l-Pro-FTSC-2H)]2 (3), [Cu(dm-l-Pro-FTSC-2H)] (6), [Zn(l-Pro-FTSC-2H)] (7), and [Zn(d-Pro-FTSC-2H)] (8), in addition to two previously reported, [Cu(l-Pro-FTSC-2H)] (4), [Cu(d-Pro-FTSC-2H)] (5), were synthesized and characterized by elemental analysis, one- and two-dimensional (1)H and (13)C NMR spectroscopy, circular dichroism, UV-vis, and electrospray ionization mass spectrometry. Compounds 1-3, 6, and 7 were also studied by single-crystal X-ray diffraction. Magnetic properties and solid-state high-field electron paramagnetic resonance spectra of 2 over the range of 50-420 GHz were investigated. The complex formation processes of l-Pro-FTSC with nickel(II) and zinc(II) were studied in aqueous solution due to the excellent water solubility of the complexes via pH potentiometry, UV-vis, and (1)H NMR spectroscopy. The results of the antiproliferative activity in vitro showed that dimethylation improves the cytotoxicity and hR2 RNR inhibition. Therefore, introduction of more lipophilic groups into thiosemicarbazone-proline backbone becomes an option for the synthesis of more efficient cytotoxic agents of this family of compounds. PMID:25391085

Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojovi?, Miloš; Popovi?-Bijeli?, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulovi?, Sinisa; Enyedy, Eva A; Arion, Vladimir B

2014-12-01

102

Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.  

PubMed

2'-Benzoylpyridine thiosemicarbazones (BpT) are effective iron chelators and display potent anti-proliferative activity against tumour cells. In order to gain greater insight into the structure-activity relationships of the BpT chelators, ten new analogues containing phenyl substituents at the N4-position of the BpT structure were synthesised. Importantly, aromatic substitution at the latter position of the BpT scaffold has not been previously explored and these studies represent the first attempt to investigate their structure-activity relationships. These compounds demonstrated significantly enhanced anti-proliferative activity compared to the clinically used iron chelator, desferrioxamine (DFO). Furthermore, the compounds showed appreciable therapeutic indices against cancer cells over normal cells in vitro. Structure-activity analysis revealed that electron-donating substituents such as -CH3 and -OCH3 resulted in greater anti-proliferative activity than electron-withdrawing groups such as -Br and -Cl. These findings help to elucidate the effect of a variety of 4-phenyl substituents on the biological activity of BpT series of chelators and facilitate the future development of thiosemicarbazones with improved anti-tumour activity. PMID:23963445

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

2013-10-01

103

Synthesis and spectral feature of benzophenone-substituted thiosemicarbazones and their Ni(II) and Cu(II) complexes.  

PubMed

The ligational behavior of 2-hydroxybenzophenone and 2-hydroxy-4-methoxybenzophenone N-substituted thiosemicarbazones towards Ni(II) and Cu(II) ions has been investigated. The isolated complexes were identified by elemental analyses, molar conductance, magnetic moment, IR, UV-vis and ESR spectral studies. The IR spectra indicated that the investigated thiosemicarbazones lost the N(2) proton or the N(2) and OH protons and act as mononegative or binegative tridentate ligands. The ligands containing methoxy group facilitate the deprotonation of OH by resonance more than the SH. Most of the Ni(II) complexes measured subnormal magnetic moments due to square-planar+tetrahedral configuration and supported by the electronic spectra. The percentage of square-planar to tetrahedral was calculated and found in agreement with the ligand splitting energy (10Dq). Also, Cu(II) complexes measured subnormal values due to the interaction between copper centers; the lower the value the higher the interaction. It was found that the substitutent has a noticeable effect on the distortion of the complex. The ESR spectra of some solid Cu(II) complexes at room temperature exhibit g(parallel)>g( perpendicular)>2.0023 confirming a square-planar structure. PMID:18693064

El-Asmy, A A; Al-Hazmi, G A A

2009-01-01

104

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

PubMed Central

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

de Oliveira, Sheilla Andrade; de Oliveira Filho, Gevanio Bezerra; Moreira, Diogo Rodrigo Magalhaes; Gomes, Paulo Andre Teixeira; da Silva, Anekecia Lauro; de Barros, Andreia Ferreira; da Silva, Aline Caroline; dos Santos, Thiago Andre Ramos; Pereira, Valeria Rego Alves; Goncalves, Gabriel Gazzoni Araujo; Brayner, Fabio Andre; Alves, Luiz Carlos; Wanderley, Almir Goncalves; Leite, Ana Cristina Lima

2014-01-01

105

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

PubMed Central

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

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

2014-01-01

106

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)

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.

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

2014-03-01

107

Highly potent anti-proliferative effects of a gallium(III) complex with 7-chloroquinoline thiosemicarbazone as a ligand: Synthesis, cytotoxic and antimalarial evaluation.  

PubMed

A gallium(III) complex with 7-chloroquinoline thiosemicarbazone was synthesized and characterized. The complex proved to be thirty-one times more potent on colon cancer cell line, HCT-116, with considerably less cytotoxicity on non-cancerous colon fibroblast, CCD-18Co, when compared to etoposide. Its anti-malarial potential on 3D7 isolate of Plasmodium falciparum was better than lumefantrine. PMID:25147149

Kumar, Kewal; Schniper, Sarah; González-Sarrías, Antonio; Holder, Alvin A; Sanders, Natalie; Sullivan, David; Jarrett, William L; Davis, Krystyn; Bai, Fengwei; Seeram, Navindra P; Kumar, Vipan

2014-10-30

108

HPLC determination of copper(II), cobalt(II) and iron(II) in pharmaceutical preparations using 2-acetylpyridine-4-phenyl-3-thiosemicarbazone derivatizing agent  

Microsoft Academic Search

Cu(II) Co(II) and Fe(II) in pharmaceutical preparations were determined using precolumn derivatization and solvent extraction with 2-acetylpyridine-4-phenyl-3-thiosemicarbazone (APPT) as complexing reagent. Liquid chromatography (LC) was carried out on a reversed phase C-18, column. The complexes were eluted isocratically with acetonitrile-water containing sodium acetate and tetrabutyl ammonium bromide as ion-pairing agents. The results obtained were compared with those using atomic absorption.

M. Y. Khuhawar; Z. P. Memon; S. N. Lanjwani

1995-01-01

109

Thermal, optical, mechanical and dielectric properties of nonlinear optical crystal 4-methoxy benzaldehyde-N-methyl 4-stilbazolium tosylate  

NASA Astrophysics Data System (ADS)

We have grown organic nonlinear optical 4-methoxy benzaldehyde-N-methyl-4-stilbazolium tosylate (MBST) crystals by slow evaporation technique. The grown crystals were analyzed by powder XRD, FTIR, NMR, UV, Thermal, mechanical and dielectric measurements. Lattice parameters and crystallinity of the crystal is confirmed by the XRD studies. The FTIR and NMR studies give the details about the various functional groups present. In order to study the optical quality of the crystal, the UV-vis absorption spectrum was recorded and cut-off wavelength was determined. Melting point of the crystal is found from the differential scanning calorimetry. The powder SHG studies were done with the Kurtz powder technique and the NLO efficiency is 17.2 times greater than that of urea. The surface of the grown crystal was analyzed with etching. Laser damage threshold studies have been carried out for the crystal using a Q-switched Nd:YAG laser of 10 ns pulses.

Sher Gill, Amirdha; Kalainathan, S.

2011-09-01

110

Rotational Spectrum and Large Amplitude Motions of 3,4-, 2,5- and 3,5-DIMETHYL-BENZALDEHYDE  

NASA Astrophysics Data System (ADS)

The microwave spectra of the 3,4-, 2,5- and 3,5-Dimethyl-Benzaldehyde (DMBA) molecules have been recorded for the first time in the 2-26.5 GHz frequency range, using the COBRA-FTMW spectrometer in Hannover, with an instrumental uncertainty of 0.5 kHz for unblended lines. The experimental assignments and fits are supplemented by ab initio quantum chemical calculations,conformational energy landscape, and dipole moment components. The analysis of the spectra for the three isomers are in progress. The latest results, including spectroscopic constants and large amplitude motion parameters, will be presented. This investigation follows the study of the spectra of the 4-Methyl-Benzaldehyde molecule. The DMBA isomers belong to a similar series of molecules formally obtained by adding a second methyl group at the aromatic ring. These molecules serve as prototype systems for the development of the theoretical model of asymmetric top molecules having Cs symmetry while containing two inequivalent methyl tops (C3v), exhibiting different barrier heights and coupling terms to methyl internal rotation. Thus, the DMBA isomers represent benchmark species for testing the two-top internal rotors BELGI program written recently. Supported by the ANR-08-BLAN-0054 contract (France), the Deutsche Forschungsgemeinschaft, and the Land Niedersachsen (Germany). H. Saal, W. Caminati, I. Kleiner, A. R. Hight-Walker, J. T. Hougen, J.-U. Grabow, to be published. M. Tudorie, I. Kleiner, J. T. Hougen, S. Melandri, L. W. Sutikdja, W. Stahl, J. Mol. Spectrosc., 269 (2011), 211-225

Kleiner, I.; Tudorie, M.; Jahn, M.; Grabow, J.-U.; Goubet, M.

2012-06-01

111

Bis(ethylsulfonamide)amines via nucleophilic ring-opening of chiral aziridines. Application to Ti-mediated addition of diethylzinc to benzaldehyde  

Microsoft Academic Search

Homochiral bis(N-triflyl-2-alkyl-2-aminoethyl)amines, obtained from N-triflyl-2-alkylaziridines via reaction with benzylamine, catalyze the titanium-mediated addition of diethylzinc to benzaldehyde to yield 1-phenylpropanol in up to 78% ee in the presence of molecular sieves. Use of tetradentate analogs prepared by reaction of the aziridine with 2-(aminomethyl)pyridine or 2-aminophenol resulted in lower enantioselectivity.

Magnus Cernerud; Anna Skrinning; Isabelle Bérgčre; Christina Moberg

1997-01-01

112

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

PubMed

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

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

2014-01-01

113

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

PubMed

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

Chandra, Sulekh; Vandana

2014-08-14

114

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

NASA Astrophysics Data System (ADS)

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.

Chandra, Sulekh; Vandana

2014-08-01

115

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

Microsoft Academic Search

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.

Isamu Shiina; Masahiko Suzuki; Kazutoshi Yokoyama

2004-01-01

116

HPLC determination of copper(II), cobalt(II) and iron(II) in pharmaceutical preparations using 2-acetylpyridine-4-phenyl-3-thiosemicarbazone derivatizing agent  

Microsoft Academic Search

Summary  Cu(II) Co(II) and Fe(II) in pharmaceutical preparations were determined using precolumn derivatization and solvent extraction\\u000a with 2-acetylpyridine-4-phenyl-3-thiosemicarbazone (APPT) as complexing reagent. Liquid chromatography (LC) was carried out\\u000a on a reversed phase C-18, column. The complexes were eluted isocratically with acetonitrile-water containing sodium acetate\\u000a and tetrabutyl ammonium bromide as ion-pairing agents. The results obtained were compared with those using atomic absorption.

M. Y. Khuhawar; Z. P. Memon; S. N. Lanjwani

1995-01-01

117

Liquid chromatographic determination of cobalt(II), copper(II) and iron(II) using 2-thiophenaldehyde-4-phenyl-3-thiosemicarbazone as derivatizing reagent  

Microsoft Academic Search

The complexing reagent 2-thiophenaldehyde-4-phenyl-3-thiosemicarbazone (TAPT) was examined for high performance liquid chromatographic (HPLC) separations of cobalt(II), copper(II) and iron(II) or cobalt(II), nickel(II), iron(II), copper(II) and mercury(II) as metal chelates on a Microsorb C-18, 5-?m column (150×4.6 mm i.d.) (Rainin Instruments Woburn, MA, USA). The complexes were eluted isocratically with methanol:acetonitrile:water containing sodium acetate and tetrabutyl ammonium bromide (TBA). UV detection

M. Y Khuhawar; S. N Lanjwani

1998-01-01

118

Complex formation between uranyl and various thiosemicarbazide derivatives  

SciTech Connect

Complex formation between hexavalent uranium and salicylaldehyde thiosemicarbazone (H/sub 2/L), salicylaldehyde S-methyl-isothiosemicarbazone (H/sub 2/Q), S-methyl-N/sub 1/,N/sub 4/-bis(salicylidene)isothiosemicarbazide(H/sub 2/Z), and thiosemicarbazidodiacetic acid (H/sub 2/R) has been studied spectrophotometrically in solution. Stability constants for complexes having the composition UO/sub 2/A have been calculated. Solid uranyl derivatives having the composition UO/sub 2/L x 2H/sub 2/O, UO/sub 2/Q x 2H/sub 2/O, UO/sub 2/Z x 2H/sub 2/O, and UO/sub 2/R x 2H/sub 2/O have been obtained. These derivatives were isolated and their IR spectroscopic behavior and thermal properties were investigated.

Chuguryan, D.G.; Dzyubenko, V.I.

1987-01-01

119

Potent 5-nitrofuran derivatives inhibitors of Trypanosoma cruzi growth: Electrochemical, spectroscopic and biological studies  

NASA Astrophysics Data System (ADS)

Cyclic voltammetry and electron spin resonance techniques were used in the investigation of several potential antiprotozoal containing thiosemicarbazone and carbamate nitrofurans. In the electrochemical behaviour, a self-protonation process involving the nitro group was observed. The reactivity of the nitro anion radical for these derivatives with glutathione, a biological relevant thiol, was also studied in means of cyclic voltammetry. These studies demonstrated that glutathione could react with radical species from 5-nitrofuryl system. Furthermore, from the voltammetric results, some parameters of biological significance as E71 (indicative of the biological nitro anion radical formation), and K (thermodynamic indicator the of oxygen redox cycling) have been calculated. We also evaluated the stability of the nitro anion radical in terms of the dimerization constant ( kd). The nitrofuran-free radicals from cyclic voltammetry were characterized by electron spin resonance. A clear dependence between both the thiosemicarbazone or carbamate substructure and the length of the linker, furyl- or furylpropenyl-spacer, and the delocalization of the unpaired electron was observed. Through of biological assays we obtained important parameters that account for the selective anti-trypanosomal activity of these derivatives. The trypomastigote viability study showed that all derivatives are as active as in the epimastigote form of the parasite in a doses dependent manner.

Maria Aravena, C.; Claudio Olea, A.; Cerecetto, Hugo; González, Mercedes; Maya, Juan Diego; Rodríguez-Becerra, Jorge

2011-07-01

120

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

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

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

2013-01-01

121

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

PubMed

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

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

2014-11-01

122

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

PubMed Central

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

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

2014-01-01

123

The effects of polymer phase ratio and feeding strategy on solid–liquid TPPBs for the production of l -phenylacetylcarbinol from benzaldehyde using Candida utilis  

Microsoft Academic Search

Purpose of Work  To increase the bioproduction of l-phenylacetylcarbinol (PAC), a precursor molecule in the synthesis of the decongestants ephedrine and pseudoephedrine and\\u000a which suffers from substrate, product, and by-product inhibition, by ensuring that the delivery of the substrate, benzaldehyde,\\u000a is maintained within a strict concentration window.\\u000a \\u000a \\u000a Beads of the commercial polymer, Hytrel G3548L, can act as a sequestering phase to

Tanya R. Khan; Andrew J. Daugulis

2011-01-01

124

Interaction of acetone, hydroxyacetone, acetaldehyde and benzaldehyde with the surface of water ice and HNO3·3H2O ice.  

PubMed

Oxygenated volatile organic compounds (OVOCs) influence the oxidative properties of the atmosphere, and their transport from the ground may occur by scavenging by the HNO(3)-rich supercooled water droplets found in polluted convective air masses. With infrared spectroscopy, we have studied the interactions of four typical atmospheric OVOCs (acetone, hydroxyacetone, acetaldehyde and benzaldehyde) with model surfaces of water ice and of trihydrated nitric acid (NAT) ice. We show that these molecules weakly adsorb on water ice and NAT by hydrogen bonding. No chemical reaction occurs between the molecules and the NAT substrate, the OVOCs remaining intact when in contact with hydrated HNO(3) in atmospheric ice clouds. PMID:22109680

Lasne, Jérôme; Laffon, Carine; Parent, Philippe

2012-01-14

125

BF?·Et?O-induced stereoselective aldol reaction with benzaldehyde, and steroid sapogenins and its application to a convenient synthesis of dinorcholanic lactones.  

PubMed

Treatment of steroid sapogenins with benzaldehyde and BF(3)·Et(2)O cleanly produces E-23(23')-benzylidenspirostanes in good yields in a reaction pathway which consists on an aldol reaction followed by a dehydration step. The obtained E-23(23')-benzylidenspirostanes can be easily converted to dinorcholanic lactones by treatment with CrO(3) in acetic acid. The synthetic sequence to dinorcholanic lactones is compatible with the presence of double bonds and carbonyl groups in the steroid framework. PMID:22449388

Ruíz-Pérez, Karen M; Romero-Ávila, Margarita; Tinajero-Delgado, Verónica; Flores-Álamo, Marcos; Iglesias-Arteaga, Martín A

2012-06-01

126

Synthesis, characterization and in vitro anti-neoplastic activity of gypsogenin derivatives.  

PubMed

Gypsogenin (L(1); 3-hydroxy-23-oxoolean-12-en-28-oic acid), a natural saponin, was isolated from the boiling water extract of Gypsophila arrostii roots. In addition, the derivatives gypsogenin thiosemicarbazone (L(2); 23-[(aminocarbonothioyl)hydrazono]-3-hydroxolean-12-en-28-oic acid) and gypsogenin thiosemicarbazone glyoxime (L(3)H2; (3?)-3-hydroxy-23-[({[(1Z,2E)-N-hydroxy-2-(hydroxyimino)ethanimidoyl]amino}carbonothioyl)hydrazono] olean-12-en-28-oic acid) as well as the Cu(II) and Co(II) complexes of L(3)H2 were prepared. The structures were established on NMR analysis ((1)H, (13)C NMR, HMBC, HMQC, and NOESY), FT-IR and completed by analysis of LC/MS. Furthermore, the antiproliferative effects of the Co(II) and Cu(II) complexes of the gypsogenin derivatives were assayed in human promyelocytic leukemia (HL 60) cells. These complexes were found to be potent anticancer agents with concentrations that inhibited 50% of proliferation (IpC50) between 5?M and 40?M. Cell death was distinguished by HO/PI double staining. The Co(II) complex of L(3)H2 has shown approximately %50 apoptotic effect at 10?M concentration. Paclitaxel has been used as positive control. PMID:24463219

Emirda?-Öztürk, Safiye; Babahan, ?lknur; Özmen, Ali

2014-04-01

127

A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amide.  

PubMed

In the presence of a chiral lithium N,P amide, alkylation of benzaldehyde results in an enantioselective formation of 1-phenyl-pentanol. This stereoselective addition reaction has herein been studied using dispersion-corrected density functional theory. For five different chiral ligands originating from amino acids the resulting enantioselectivity has been computationally determined and compared with experimentally available enantiomeric ratios (e.r.). In all cases the experimentally preferred enantiomer could be reproduced by the computational model. The selectivity trend among the ligands was found strongly sensitive to the amount of dispersion correction included. The origin of selectivity in the alkylation reaction is found to be composed of many combined interactions. For the most selective ligand 2A the most important factors found, which are favouring the (R)-TS, are a CH-? interaction between benzaldehyde-dimethyl ether (DME), stronger Li-solvation, and Li-? interactions with the phenyl ring in the backbone of the chiral lithium N,P amide. In addition, solvation by the bulk solvent and the size of the substituent on the nitrogen are also found important factors for the enantioselectivity. PMID:22378179

Rönnholm, Petra; Gräfenstein, Jürgen; Norrby, Per-Ola; Hilmersson, Göran; Lill, Sten O Nilsson

2012-04-14

128

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)

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) Ĺ, ? = 90.00(3)°, Z = 5, V = 2512.5(9) Ĺ3, 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.

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

2014-11-01

129

Specific accumulation of CYP94A1 transcripts after exposure to gaseous benzaldehyde: induction of lauric acid ?-hydroxylase activity in Vicia sativa exposed to atmospheric pollutants.  

PubMed

The effects of air pollutants such as aldehydes, ozone, nitrogen dioxide and benzene on fatty acid ?-hydroxylase activity in Vicia sativa microsomes have been investigated. Four days old etiolated V. sativa seedlings were exposed to different concentrations of selected pollutants for varying exposure times. Growing etiolated V. sativa seedlings in air containing the gaseous benzaldehyde (150 nM) led to an 8-fold enhancement of lauric acid ?-hydroxylase activity in microsomes of treated plants compared to controls grown in pure air (96 ± 10 versus 12 ± 2 pmol/min/mg protein, respectively). The induction increased with increasing gas phase concentrations (10-1300 nM) and the maximum of activity was measured after 48 h of exposure. Northern blot analysis revealed that this induction occurred via transcriptional activation of the gene coding for CYP94A1. The absence of CYP94A2 and CYP94A3 transcription activation together with the missing effect on epoxide hydrolases activities indicate the specificity of CYP94A1 induction by benzaldehyde. Exposure to nitrogen dioxide, ozone and formaldehyde also stimulated lauric acid ?-hydroxylases activity while exposure to benzene did not show any effect. PMID:21035797

Kastner, P E; Le Calvé, S; Diss, L; Sauveplane, V; Franke, R; Schreiber, L; Pinot, F

2011-01-01

130

Synthesis and biological evaluation of formazan derivatives  

PubMed Central

The formazan derivatives (FM1–FM5) were synthesized by the reaction of benzaldehyde phenylhydrazone with substituted aromatic and hetero aromatic amines. The structures of the synthesized compounds were then elucidated using UV, IR, 1H NMR and mass spectral data. The synthesized derivatives were screened for anticonvulsant, antibacterial and antiviral activities. All the compounds showed remarkable antibacterial activity at 250 ?g/ml, but FM4 and FM3 did not show any inhibition on Staphylococcus aureus and Vibriocholera, respectively. All the compounds showed significant anticonvulsant effect at 100 mg/kg p.o. and the experimental data were statistically significant at P<0.001 level. But none of the compounds was effective against Japanese encephalitis virus. PMID:22247879

Mariappan, Gurusamy; Korim, Rejaul; Joshi, Nand Madhwa; Alam, Faruk; Hazarika, Rajib; Kumar, Deepak; Uriah, Tiewlasubon

2010-01-01

131

Cu(II) Bis(thiosemicarbazone) Radiopharmaceutical Binding to Serum Albumin: Further Definition of Species-Dependence and Associated Substituent Effects  

PubMed Central

Introduction The Cu-PTSM (pyruvaldehyde bis(N4-methylthiosemicarbazonato)copper(II)) and Cu-ATSM (diacetyl bis(N4-methylthiosemicarbazonato)copper(II)) radiopharmaceuticals exhibit strong, species-dependent binding to the IIA site of human serum albumin (HSA), while the related Cu-ETS (ethylglyoxal bis(thiosemicarbazonato)copper(II)) radiopharmaceutical appears to only exhibit non-specific binding to human and animal serum albumins. Methods To further probe the structural basis for the species-dependence of this albumin binding interaction, protein binding of these three radiopharmaceuticals was examined in solutions of albumin and/or serum from a broader array of mammalian species (rat, sheep, donkey, rabbit, cow, pig, dog, baboon, mouse, cat, elephant). We also evaluated the albumin binding of several copper(II) bis(thiosemicarbazone) chelates offering more diverse substitution of the ligand backbone. Results Cu-PTSM and Cu-ATSM exhibit a strong interaction with HSA that is not apparent with the albumins of other species, while the binding of Cu-ETS to albumin is much less species-dependent. The strong interaction of Cu-PTSM with HSA does not appear to simply correlate with variation, relative to the animal albumins, of a single amino acid lining HSA's IIA site. Those agents that selectively interact with HSA share the common feature of only methyl or hydrogen substitution at the carbon atoms of the diimine fragment of the ligand backbone. Conclusions The interspecies variations in albumin binding of Cu-PTSM and Cu-ATSM are not simply explained by unique amino acid substitutions in the IIA binding pocket of the serum albumins. However, the specific affinity for this region of HSA is disrupted when substituents bulkier than a methyl group appear on the imine carbons of the copper bis(thiosemicarbazone) chelate. PMID:19520290

Basken, Nathan E.; Green, Mark A.

2009-01-01

132

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

PubMed

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

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

2013-09-01

133

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

NASA Astrophysics Data System (ADS)

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}1/{T}2 conical intersection of benzaldehyde.

Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Shao, Yihan; Subotnik, Joseph E.

2014-07-01

134

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

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

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

2007-01-01

135

Role of substitution at terminal nitrogen of 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the coordination behavior and structure and biological properties of their palladium(II) complexes.  

PubMed

A series of four new palladium(II) complexes of 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones with triphenylphosphine as coligand have been synthesized and characterized by the aid of various spectral techniques. The single-crystal X-ray diffraction studies revealed that the unsubstituted thiosemicarbazone ligand acted as monobasic tridentate (ONS(-)) in the cationic [Pd(H-Qtsc-H)(PPh(3))]Cl complex, whereas the monosubstituted thiosemicarbazone ligands acted as monobasic bidentate (NS(-)) in their respective complexes, [PdCl(H-Qtsc-R)(PPh(3))] (R = Me (2), Et (3), Ph (4)). To ascertain the potentials of the above Pd(II) complexes toward biomolecular interactions, additional experiments involving interaction with calf thymus DNA and bovine serum albumin were carried out. Moreover, all the palladium(II) complexes have been screened for their radical scavenging activity toward DPPH, O(2)(-), OH, and NO radicals. The efficiency of the complexes in arresting the growth of human cervical cancer cells (HeLa), human laryngeal epithelial carcinoma cells (HEp-2), human liver carcinoma cells (Hep G2), and human skin cancer cells (A431) has also been studied along with the cell viability test against the noncancerous NIH 3T3 mouse embryonic fibroblasts cell lines under in vitro conditions. All the in vitro pharmacological evaluation results clearly revealed the relationship between the structure and the activity of the new Pd(II) complexes. PMID:23323516

Ramachandran, Eswaran; Senthil Raja, Duraisamy; Rath, Nigam P; Natarajan, Karuppannan

2013-02-01

136

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

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

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

137

APPLICATION OF RESPONSE SURFACE METHODOLOGY (RSM) AND ARTIFICIAL NEURAL NETWORK (ANN) FOR ACHIEVING DESIRE BA IN THE BIOTRANSFORMATION OF BENZALDEHYDE USING FREE CELLS OF SACCHAROMYCES CEREVISAE AND THE EFFECT OF B-CYCLODEXTRIN  

Microsoft Academic Search

This work dwells on the production of benzene alcohol (BA) from the biotransformation of benzaldehyde using free cells of Saccharomyces cerevisae and effects of ?-Cyclodextrin. Meanwhile, the properties of BA produced was evaluated. The effects of five variables considered in this research work were evaluated using RSM and ANN. The root mean square error, the coefficient of determination, the adjusted

T. F. Adepoju; Olawale O; Ojediran O. J; Agric. Biosystem; S. K. Layokun

2014-01-01

138

Biological activities of isatin and its derivatives.  

PubMed

Isatin is an endogenous compound identified in humans that possesses a wide range of biological activities. Isatin has anxiogenic, sedative, anticonvulsant activities and acts as a potent antagonist on atrial natriuretic peptide receptors in vitro. A series of p-substituted isatin semicarbazones have shown anticonvulsant activity in MES, scPTZ and scSTY tests. Various isatin-N-Mannich bases of isatin-3-thiosemicarbazones have shown antiviral and tuberculostatic activity. Methisazone is an effective compound against variola and vaccinia viruses. The N-dimethyl and morpholino derivative of 5-methyl isatin and trimethoprim exhibited an EC50 of more than 4.3 and 17.7 mg mL(-1), respectively. Isatin (3-o-nitrophenyl) hydrazone has shown activity against Walker carcinoma-256. Various substituted indolinones showed antitubercular activity against M. tuberculosis H37Rv with MIC ranging from 10-20 microg mL(-1). Isatin derivatives of Mannich bases had fibrinolytic, muscle relaxant, antiallergic, immunosuppressant, and antithrombotic activity. Isatin showed cardioinhibitory effect on frog heart, and hypotensive, respiratory depression and antidiuretic effects. PMID:15907222

Pandeya, Surendra Nath; Smitha, Sivakumar; Jyoti, Mayank; Sridhar, Seshaiah Krishnan

2005-03-01

139

Structure of an anti-aldol addition product of benzaldehyde and a pseudoephedrine-derived O-silyl ketene N,O-acetal  

Microsoft Academic Search

S-(4R*,5R*,8R*,9S*))-2,2,5,6,8-Penta- methyl-4,9-diphenyl- 1,3-dioxa-6-aza-2-silacyclono- nan-7-one, CE2H29NO3Si, Mr = 383.56, monoclinic, P21, a = 6.550 (3), b = 17.318 (6), c = 20.129 (6) A, \\/3=98.83(3) ° , V =2256.2(14) A 3, Z=4, Dx= 1.13 gcm -3, A(Mo Ka) = 0.71073 A,\\/z = 1.18 cm -1, F(000) = 824, room temperature, R on F = 0.039 for 4305 reflections with Fo 2

RICHARD E. MARSH; WILLIAM P. SCHAEFER; KATHERINE L. WIDDOWSON; ANDREW G. MYERS

1992-01-01

140

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

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.

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

141

Anti-plasmodial activity of aroylhydrazone and thiosemicarbazone iron chelators: effect on erythrocyte membrane integrity, parasite development and the intracellular labile iron pool.  

PubMed

Iron chelators inhibit the growth of the malaria parasite, Plasmodium falciparum, in culture and in animal and human studies. We previously reported the anti-plasmodial activity of the chelators, 2-hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone (311), 2-hydroxy-1-naphthylaldehyde 4-methyl-3-thiosemicarbazone (N4mT), and 2-hydroxy-1-naphthylaldehyde 4-phenyl-3-thiosemicarbazone (N4pT). In fact, these ligands showed greater growth inhibition of chloroquine-sensitive (3D7) and chloroquine-resistant (7G8) strains of P. falciparum in culture compared to desferrioxamine (DFO). The present study examined the effects of 311, N4mT and N4pT on erythrocyte membrane integrity and asexual parasite development. While the characteristic biconcave disk shape of the erythrocytes was unaffected, the chelators caused very slight hemolysis at IC50 values that inhibited parasite growth. The chelators 311, N4mT and N4pT affected all stages of the intra-erythrocytic development cycle (IDC) of P. falciparum in culture. However, while these ligands primarily affected the ring-stage, DFO inhibited primarily trophozoite and schizont-stages. Ring, trophozoite and schizont-stages of the IDC were inhibited by significantly lower concentrations of 311, N4mT, and N4pT (IC50=4.45±1.70, 10.30±4.40, and 3.64±2.00?M, respectively) than DFO (IC50=23.43±3.40?M). Complexation of 311, N4mT and N4pT with iron reduced their anti-plasmodial activity. Estimation of the intracellular labile iron pool (LIP) in erythrocytes showed that the chelation efficacy of 311, N4mT and N4pT corresponded to their anti-plasmodial activities, suggesting that the LIP may be a potential source of non-heme iron for parasite metabolism within the erythrocyte. This study has implications for malaria chemotherapy that specifically disrupts parasite iron utilization. PMID:24028863

Walcourt, Asikiya; Kurantsin-Mills, Joseph; Kwagyan, John; Adenuga, Babafemi B; Kalinowski, Danuta S; Lovejoy, David B; Lane, Darius J R; Richardson, Des R

2013-12-01

142

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

PubMed

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 4.0eV 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

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

2015-01-25

143

Utilization of picolinaldehyde-4-phenyl-3-thiosemicarbazone in sodium dodecylsulfate micelles for the spectrophotometric determination of iron, vanadium, and cobalt following partial least-squares regression analysis.  

PubMed

Partial least-squares regression was applied for the simultaneous determination of iron, vanadium, and cobalt after complexation with picolinaldehyde-4-phenyl-3-thiosemicarbazone (PAPT) in the presence of anionic sodium dodecylsulfate (SDS) micelles. These 3 complexed metal ions exhibited overlapping spectra in the 390-510 nm region with a maximum absorbance at 415 nm at pH 3.0 and enhanced absorbance in the presence of SDS. The data for the simultaneous determination of these metal ions were analyzed using a simple partial least-squares (SIMPLS) algorithm. Formation constants (log Kf) were found to be 4.65, 3.29, and 4.85 for PAPT complexes of Fe, V, and Co, respectively, and the detection limits for Fe, V, and Co were 0.013, 0.002, and 0.010 microg/mL, respectively. Common anions and cations did not interfere with the proposed method. The method was validated by calculating root mean square error of cross-validation, root mean square error of calibration, and root mean square error of prediction and was applied to determine these 3 metal ions in real crude oil samples. PMID:19382583

Balouch, Aamna; Memon, Najma; Bhanger, Muhammad I; Khuhawar, Muhammad Y

2009-01-01

144

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

SciTech Connect

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

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

2008-09-15

145

Synthesis of O -methyloximes and nitrones of a series of substituted 4-[2-hydroxy-2-(1 H -1,2,4-triazol-1-ylmethyl)cyclohexylidenemethyl]-benzaldehydes and their fungicidal activity  

Microsoft Academic Search

O-Methyloximes and nitrones of a series of substituted 4-[2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexylidenemethyl]benzaldehydes have been synthesized, and their fungicidal activity has been assayed. All of them exhibit low fungicidal activity in thein vitro assays and high activity in thein vivo assays; theO-methyl oximes are more active than the corresponding nitrones.

M. Z. Krimer; F. Z. Makaev; Yu. B. Kal'yan; V. P. Tashchi; Yu. G. Putsykin

1993-01-01

146

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)

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.

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

2014-01-01

147

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 Central

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 IC50 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 IC50 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 IC50 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

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

2012-01-01

148

Syntheses and extraction properties of novel biscalixarene and thiacalix[4]arene hydrazone derivatives  

Microsoft Academic Search

By reacting thiacalix[4]arene with p-tosyloxyethoxylbenzaldehyde 1, 3-bis(benzaldehyde-4-oxyethyloxy)-p-tert-butylthiacalix[4]arene (2) were prepared in yield of 65%. Refluxing compound 2 with aniline, salicylic hydrazide, nicotinic hydrazide and isonicotinic hydrazide, novel ringopening 1,3-bis-arylformyl-hydrazone substituted thiacalix[4]arene derivatives (3a–3d) were obtained in yields of 77–89%. Refluxing compound 2 with o-phenylendiamine, oxalyl dihydrazide, malonic dihydrazide and adipic dihydrazide in “1 + 1” intermolecular condensation mode\\u000a under diluted condition, novel

Fafu Yang; Xia Zhao; Hongyu Guo; Jianrong Lin; Zhaohui Liu

2008-01-01

149

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

PubMed

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

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

150

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

PubMed Central

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

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

151

Spectrofluorimetric determination of both hydrogen peroxide and ?O?O?H in polyethylene glycols (PEGs) using 2-hydroxy-1-naphthaldehyde thiosemicarbazon (HNT) as the substrate for horseradish peroxidase (HRP)  

NASA Astrophysics Data System (ADS)

2-Hydroxy-1-naphthaldehyde thiosemicarbazon (HNT) had been synthesized and used as a new kind of substrate for horseradish peroxidase (HRP) in spectrofluorimetric determination of hydrogen peroxide (H 2O 2). The oxidation reaction of HNT with H 2O 2 under the catalysis of HRP was studied in detail. The possible reaction mechanism was discussed. Under optimum experimental conditions, the oxidized product of HNT had excitation and emission maxima at 260 and 450 nm, respectively. The linear range of this method was 1.30×10 -9-1.25×10 -5 mol l -1 with a detection limit of 3.89×10 -10 mol l -1. The effect of interferences, surfactants and organic solvents on the determination of H 2O 2 had been investigated. A study to prove the existence of ?O?O?H in PEGs was carried out. The proposed method was successfully applied to the determination of ?O?O?H in polyethylene glycols.

Tang, Bo; Wang, Yan

2003-10-01

152

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.

2007-03-22

153

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

PubMed

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 T1/T2 conical intersection of benzaldehyde. PMID:25028006

Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Shao, Yihan; Subotnik, Joseph E

2014-07-14

154

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

PubMed Central

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

2013-01-01

155

Preparation of soluble p-aminobenzoyl chitosan ester by Schiff's base and antibacterial activity of the derivatives.  

PubMed

Schiff's base of chitosan (BCTS) was obtained by the reaction of chitosan (CTS) and benzaldehyde. Then BCTS reacted with acyl chloride which was synthesized by p-aminobenzoic acid and thionyl chloride to get N-benzoyl-O-aminobenzoyl chitosan ester (BABCTSE), removing the groups of amino protection of BABCTSE to get the final product (ABCTSE). The structures of the derivatives were characterized by FT-IR, (1)H NMR, (13)C NMR and elemental analysis. The elemental analysis results indicated that the degrees of substitution (DS) of the products were 16.8% and 40.4%. The synthesized compounds exhibited an excellent solubility in organic solvents. TG and DTG results showed that thermal stability of the derivatives was lower than that of chitosan. In addition, the existence of two different amido in the molecular structures contributed to forming more -NH(3)(+) in the acid solution which could make the derivatives have a greater advantage in the field of bacteriostasis. PMID:21277323

Wang, Jiangtao; Wang, Hedong

2011-04-01

156

Synthesis and application of chloromethylated polystyrene modified with 1-phenyl-1,2-propanedione-2-oxime thiosemicarbazone (PPDOT) as a new sorbent for the on-line preconcentration and determination of copper in water, soil, and food samples by FAAS.  

PubMed

In this paper, we report a simple and sensitive on-line solid phase extraction system for the preconcentration and determination of Cu(II) by flame atomic absorption spectrometry (FAAS). This method is based upon the on-line retention of copper at pH 5.0 on a minicolumn packed with chloromethylated polystyrene modified by 1-phenyl-1,2-propanedione-2-oxime thiosemicarbazone (PPDOT) as a new solid-phase extraction (SPE) sorbent. The retained Cu(II) ions were eluted with 1.0M HNO(3), and transported directly to FAAS for determination. Several chemical and flow variables were studied and optimized for a quantitative preconcentration and determination of copper(II). At the optimized conditions, for preconcentration of 10.0 mL of a sample solution, a linear calibration graph was obtained over the concentration range of 3.00-120.0 ?g L(-1) for Cu(II). The limit of detection (3?), limit of quantification (10?), and enrichment factor are 0.56 ?g L(-1), 2.0 ?g L(-1) and 41, respectively. The relative standard deviation (n = 6) at 20 ?g L(-1) of Cu(II) is 2.0%. This method could be applied for determination of trace amounts of Cu(II) in water, soil, and food samples with satisfactory results. PMID:21794982

Chamjangali, Mansour Arab; Bagherian, Ghadamali; Mokhlesian, Ali; Bahramian, Bahram

2011-09-15

157

Palladium(II) and platinum(II) bis(thiosemicarbazone) complexes of the 2,6-diacetylpyridine series with high cytotoxic activity in cisplatin resistant A2780cisR tumor cells and reduced toxicity.  

PubMed

Preparation and characterization of four novel 2,6-diacetylpyridine bis((4)N-tolylthiosemicarbazonato) palladium(II) and platinum(II) complexes, [PdL(1-2)] and [PtL(1-2)], are described. All compounds have been characterized by elemental analysis and by IR and NMR spectroscopy, and the crystal and molecular structures of complexes [PdL(2)] and [PtL(2)] have been determined by a single crystal X-ray diffraction. The ligands act as dianionic tetradentate donors coordinating to the metal center in a square planar geometry through the Npyridinic atom and the Niminic and the S atoms from one thiosemicarbazone arm, the fourth coordination position is occupied by the Nhydrazinic of the other arm. The new compounds synthesized have been evaluated for antiproliferative activity in vitro against NCI-H460, HepG2, MCF-7, A2780 and A2780cisR human cancer cell lines. The cytotoxicity data suggest that [PdL(1)], [PdL(2)] and [PtL(2)] may be endowed with important antitumor properties since they are capable of not only circumventing cisplatin resistance in A2780cisR cells but also exhibiting high antiproliferative activity in breast cancer MCF-7 cells. Subsequent toxicity study, in LLC-PK1 cells, has also been carried out and shows that none of these compounds are in vitro toxic in the tested concentration range. PMID:23685347

Matesanz, Ana I; Leitao, Inés; Souza, Pilar

2013-08-01

158

Electronic and vibrational spectra of protonated benzaldehyde-water clusters, [BZ-(H2O)n?5]H+: evidence for ground-state proton transfer to solvent for n ? 3.  

PubMed

Vibrational and electronic photodissociation spectra of mass-selected protonated benzaldehyde-(water)n clusters, [BZ-(H2O)n]H(+) with n ? 5, are analyzed by quantum chemical calculations to determine the protonation site in the ground electronic state (S0) and ??(*) excited state (S1) as a function of microhydration. IR spectra of [BZ-(H2O)n]H(+) with n ? 2 are consistent with BZH(+)-(H2O)n type structures, in which the excess proton is localized on benzaldehyde. IR spectra of clusters with n ? 3 are assigned to structures, in which the excess proton is located on the (H2O)n solvent moiety, BZ-(H2O)nH(+). Quantum chemical calculations at the B3LYP, MP2, and ri-CC2 levels support the conclusion of proton transfer from BZH(+) to the solvent moiety in the S0 state for hydration sizes larger than the critical value nc = 3. The vibronic spectrum of the S1 ? S0 transition (??(*)) of the n = 1 cluster is consistent with a cis-BZH(+)-H2O structure in both electronic states. The large blueshift of the S1 origin by 2106 cm(-1) upon hydration with a single H2O ligand indicates that the proton affinity of BZ is substantially increased upon S1 excitation, thus strongly destabilizing the hydrogen bond to the solvent. The adiabatic S1 excitation energy and vibronic structure calculated at the ri-CC2/aug-cc-pVDZ level agrees well with the measured spectrum, supporting the notion of a cis-BZH(+)-H2O geometry. The doubly hydrated species, cis-BZH(+)-(H2O)2, does not absorb in the spectral range of 23?000-27?400 cm(-1), because of the additional large blueshift of the ??(*) transition upon attachment of the second H2O molecule. Calculations predict roughly linear and large incremental blueshifts for the ??(*) transition in [BZ-(H2O)n]H(+) as a function of n. In the size range n ? 3, the calculations predict a proton transfer from the (H2O)nH(+) solvent back to the BZ solute upon electronic ??(*) excitation. PMID:24697448

Dopfer, Otto; Patzer, Alexander; Chakraborty, Shamik; Alata, Ivan; Omidyan, Reza; Broquier, Michel; Dedonder, Claude; Jouvet, Christophe

2014-03-28

159

Electronic and vibrational spectra of protonated benzaldehyde-water clusters, [BZ-(H2O)n?5]H+: Evidence for ground-state proton transfer to solvent for n ? 3  

NASA Astrophysics Data System (ADS)

Vibrational and electronic photodissociation spectra of mass-selected protonated benzaldehyde-(water)n clusters, [BZ-(H2O)n]H+ with n ? 5, are analyzed by quantum chemical calculations to determine the protonation site in the ground electronic state (S0) and ??* excited state (S1) as a function of microhydration. IR spectra of [BZ-(H2O)n]H+ with n ? 2 are consistent with BZH+-(H2O)n type structures, in which the excess proton is localized on benzaldehyde. IR spectra of clusters with n ? 3 are assigned to structures, in which the excess proton is located on the (H2O)n solvent moiety, BZ-(H2O)nH+. Quantum chemical calculations at the B3LYP, MP2, and ri-CC2 levels support the conclusion of proton transfer from BZH+ to the solvent moiety in the S0 state for hydration sizes larger than the critical value nc = 3. The vibronic spectrum of the S1 ? S0 transition (??*) of the n = 1 cluster is consistent with a cis-BZH+-H2O structure in both electronic states. The large blueshift of the S1 origin by 2106 cm-1 upon hydration with a single H2O ligand indicates that the proton affinity of BZ is substantially increased upon S1 excitation, thus strongly destabilizing the hydrogen bond to the solvent. The adiabatic S1 excitation energy and vibronic structure calculated at the ri-CC2/aug-cc-pVDZ level agrees well with the measured spectrum, supporting the notion of a cis-BZH+-H2O geometry. The doubly hydrated species, cis-BZH+-(H2O)2, does not absorb in the spectral range of 23 000-27 400 cm-1, because of the additional large blueshift of the ??* transition upon attachment of the second H2O molecule. Calculations predict roughly linear and large incremental blueshifts for the ??* transition in [BZ-(H2O)n]H+ as a function of n. In the size range n ? 3, the calculations predict a proton transfer from the (H2O)nH+ solvent back to the BZ solute upon electronic ??* excitation.

Dopfer, Otto; Patzer, Alexander; Chakraborty, Shamik; Alata, Ivan; Omidyan, Reza; Broquier, Michel; Dedonder, Claude; Jouvet, Christophe

2014-03-01

160

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

PubMed

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 [CuL(1)](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

Gopalakrishnan, S; Joseph, J

2009-06-01

161

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

PubMed Central

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

Joseph, J.

2009-01-01

162

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

PubMed Central

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

Szabo, Jan; Karger, Kerstin; Bucher, Nicolas

2014-01-01

163

Fractional Derivative as Fractional Power of Derivative  

E-print Network

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.

Vasily E. Tarasov

2007-11-16

164

2,4-Dimethoxy-benzaldehyde azine.  

PubMed

The title mol-ecule, C(18)H(20)N(2)O(4), is located on a crystallographic centre of symmetry. The meth-oxy groups are coplanar with the benzene ring [interplanar angles of 14.4?(2) and 3.1?(3)°], indicating a conjugation effect. PMID:21578000

Islam, M A A A A; Tarafder, M T H; Alam, M A; Guidolin, N; Zangrando, E

2009-01-01

165

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

PubMed

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

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

2014-08-01

166

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

PubMed

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

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

2013-09-01

167

Investigation of the tautomerism and geometric isomerism of nitrogen-containing derivatives of carbonyl compounds  

Microsoft Academic Search

By means of polarographic and microcoulometric methods it was shown that the reduction of semi- and thiosemicarbazones of acetophenone, p-chloroacetophenone and p-aminoacetophenone and also benzophenone semicarbazone at a dropping mercury electrode takes place irreversibly with participation of two electrons.

Yu. P. Kitaev; G. K. Budnikov; A. E. Arbuzov

1961-01-01

168

Cyclometalated mono- and dinuclear Ir(III) complexes with "click"-derived triazoles and mesoionic carbenes.  

PubMed

Orthometalation at Ir(III) centers is usually facile, and such orthometalated complexes often display intriguing electronic and catalytic properties. By using a central phenyl ring as C-H activation sites, we present here mono- and dinuclear Ir(III) complexes with "click"-derived 1,2,3-triazole and 1,2,3-triazol-5-ylidene ligands, in which the wingtip phenyl groups in the aforementioned ligands are additionally orthometalated and bind as carbanionic donors to the Ir(III) centers. Structural characterization of the complexes reveal a piano stool-type of coordination around the metal centers with the "click"-derived ligands bound either with C^N or C^C donor sets to the Ir(III) centers. Furthermore, whereas bond localization is observed within the 1,2,3-triazole ligands, a more delocalized situation is found in their 1,2,3-triazol-5-ylidene counterparts. All complexes were subjected to catalytic tests for the transfer hydrogenation of benzaldehyde and acetophenone. The dinuclear complexes turned out to be more active than their mononuclear counterparts. We present here the first examples of stable, isomer-pure, dinuclear cyclometalated Ir(III) complexes with poly-mesoionic-carbene ligands. PMID:25044321

Maity, Ramananda; Hohloch, Stephan; Su, Cheng-Yong; van der Meer, Margarethe; Sarkar, Biprajit

2014-08-01

169

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

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.

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

170

Synthesis and molecular structures of (2-dialkylaminophenyl)alcohols and of 2-phenylaminoalkyl-dimethylaminobenzene derivatives  

Microsoft Academic Search

N,N-Dimethyl-o-toluidine, N,N-dimethylaniline, and N,N-diethylaniline were treated with n-butyllithium-tmeda in diethyl ether–hexane solution to give o-lithioarylamines, which react with various electrophiles (benzophenone, dicyclohexyl ketone, benzaldehyde, and Ph(H)C?NPh) to form the corresponding (2-dialkylaminophenyl)alcohols 1-HOCPh2-2-NMe2C6H4 (1), 1-HOCCy2-2-NMe2C6H4 (2), 1-HOCPh2CH2-2-NMe2C6H4 (4), 1-HOC(H)PhCH2-2-NMe2C6H4 (6), and 1-HOCPh2-2-NEt2C6H4 (7), and the 2-phenylaminoalkyl-dimethylaminobenzene derivatives 1-NMe2-2-NH(Ph)C(H)PhC6H4 (3) and 1-NMe2-2-NH(Ph)C(H)PhCH2C6H4 (5). Compounds 1–7 were characterized spectroscopically (NMR, IR, MS) and

Harbi Tomah Al-Masri; Joachim Sieler; Peter Lönnecke; Steffen Blaurock; Konstantin Domasevitch; Evamarie Hey-Hawkins

2004-01-01

171

New dextran derivatives. I. Nitrogen containing derivatives.  

PubMed

Three new derivatives of dextran were obtained: 3-morpholine-2-hydroxypropyl ether of dextran (I), hydroxamic acid of carboxymethyl dextran (II), and oxime of ketodextran (III). All the three derivatives exhibited low toxicity at parenteral administration to laboratory animals. (I) and (II) showed the capability of weakening the activity of tetanus and malignant edema toxins. Additionally, (I) showed immunotropic activity. Biological activity was observed when the derivative (I) had been obtained from dextran of the molecular weight 4000. At the molecular weight 20,000 the activity did not appear. Similarly, no activity was observed under oral administration. PMID:6202271

Mioduszewski, J Z; Halski, L; Mioduszewska, M

1983-01-01

172

Partial Derivatives: Geometric Visualization  

NSDL National Science Digital Library

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.

Rutledge, James

173

Nearly generalized Jordan derivations  

E-print Network

Let $A$ be an algebra and let $X$ be an $A$-bimodule. A $\\Bbb C-$linear mapping $d:A \\to X$ is called a generalized Jordan derivation if there exists a Jordan derivation (in the usual sense) $\\delta:A \\to X$ such that $d(a^2)=ad(a)+\\delta(a)a$ for all $a \\in A.$ The main purpose of this paper to prove the Hyers-Ulam-Rassias stability and superstability of the generalized Jordan derivations.

Gordji, M Eshaghi

2008-01-01

174

Endohedral Metallofullerene Derivatives  

NASA Technical Reports Server (NTRS)

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.

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

2008-01-01

175

The derivative of a function of one variable Partial derivatives  

E-print Network

The derivative of a function of one variable Partial derivatives Partial differential equations Partial Differential Equations Introduction Partial Differential Equations #12;The derivative of a function of one variable Partial derivatives Partial differential equations Review Check your understanding

Lega, Joceline

176

Partial Derivative Visualization Gallery  

NSDL National Science Digital Library

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.

Roberts, Lila F.; Hill, David R.

2004-11-11

177

Irregularities in Imperfective Derivation  

ERIC Educational Resources Information Center

This article discusses presentation of Russian conjugation via the one-stem system advocated by Lipson and Townsend, and attempts a more unified and complete presentation of irregularities in imperfect derivation. Two major irregularities are occurrence of an unexpected suffix and unpredictable alternation in the root of the derived imperfective.…

Levin, Maurice I.

1977-01-01

178

The Partial Derivative Machine  

NSDL National Science Digital Library

Research has shown that students struggle to understand the use of partial derivatives in thermodynamics. We have designed an apparatus, which we have called a Partial Derivative Machine, that serves as a mechanical analogue of a thermodynamic system. Using this device, students have a tangible way to wrestle with issues related to partial derivatives and thermodynamics, such as which variables are held fixed, how many variables are independent, and how energy can be added to a system. In this paper, we present a description of the apparatus, an introduction to the associated activities, and an overview of how this apparatus can be connected to thermodynamic systems.

Sherer, Grant; Kustusch, Mary B.; Manogue, Corinne A.; Roundy, David J.

2014-01-31

179

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)

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.

Jeragh, Bakir; El-Asmy, Ahmed A.

2014-09-01

180

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.  

PubMed

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 (10 Dq=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. PMID:24813284

Jeragh, Bakir; El-Asmy, Ahmed A

2014-09-15

181

Derivative Dispersion Relations  

E-print Network

We discuss some analytical and numerical aspects related to the replacement of integral dispersion relations by derivative relations and also the practical applicability of the derivative approach in the investigation of high-energy elastic hadron-hadron scattering. Making use of a Monopole Pomeron model and singly subtracted integral and derivative dispersion relations, we present the results of fits to the experimental data on the total cross sections and the ratio of the real to the imaginary part of the forward elastic scattering amplitude (proton-proton and antiproton-proton interactions). The emphasis is on the region of low energies and, in particular, we show that once the subtraction constant is used as a free fit parameter the derivative approach is equivalent to the integral approach even below the energy cutoff of the fitted data.

R. F. Avila; M. J. Menon

2004-11-30

182

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.

2009-05-29

183

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.

184

Credit derivatives in Brazil  

E-print Network

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 ...

Rüther, Henrique

2007-01-01

185

Deriving Common Model Characteristics  

NSDL National Science Digital Library

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.

Momsen, Jennifer; Long, Tammy M.; Speth, Elena B.

186

Extended Derivative Dispersion Relations  

E-print Network

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.

R. F. Avila; M. J. Menon

2006-01-24

187

Nearly generalized Jordan derivations  

Microsoft Academic Search

Let $A$ be an algebra and let $X$ be an $A$-bimodule. A $\\\\Bbb C-$linear mapping $d:A \\\\to X$ is called a generalized Jordan derivation if there exists a Jordan derivation (in the usual sense) $\\\\delta:A \\\\to X$ such that $d(a^2)=ad(a)+\\\\delta(a)a$ for all $a \\\\in A.$ The main purpose of this paper to prove the Hyers-Ulam-Rassias stability and superstability of the

M. Eshaghi Gordji; N. Ghobadipour

2008-01-01

188

Nearly generalized Jordan derivations  

Microsoft Academic Search

Let A be an algebra and let X be an A-bimodule. A ?-linear mapping d: A ? X is called a generalized Jordan derivation if there exists a Jordan derivation (in the usual sense) ?: A ? X such that d(a\\u000a 2) = ad(a)+?(a)a for all a ? A. The main purpose of this paper is to prove the Hyers-Ulam-Rassias

M. Eshaghi Gordji; N. Ghobadipour

2011-01-01

189

Antitumor and antimicrobial activities of some hetero aromatic benzofurans derived from naturally occurring visnagin.  

PubMed

Bromination of visnaginone (1) yielded the dibromo derivative (2), which upon methylation with methyl iodide gave 1-(2,7-dibromo-4,6-dimethoxybenzofuran-5-yl) ethanone (3). Compound (3) reacted with dimethylformamide dimethylacetal to give (4). The reaction of (3) with aromatic aldehydes namely (vanillin, benzaldehyde and 3-anisaldehyde) in ammonium acetate, malononitrile and/or butyric cyanoanhydride gave the 2-amino substituted nicotinonitriles (5a-c) and the 2-hydroxyl substituted nicotinonitriles (7a-c), respectively, while in piperidine gave (E)-1-(2,7-dibromo-4,6-dimethoxybenzofuran-5-yl)-3-(substituted)prop-2-en-l-one (11a-c). (5a) was hydrolyzed with sulfuric acid on cold to give the nicotinic acid derivative (6a). When compound (3) reacted with hydrazines and aromatic amines, it gave the Schiff bases (8a,b) and (10a,b), respectively. (8b) reacted with thioglycolic acid to give the thiazolidin-4-one (9b). When (11a-c) reacted with thiourea, it gave the pyrimidine derivatives (12a-c). (11a,b) also reacted with butyric cyanoanhydride and hydroxylamine hydrochloride to give (13a,b) and (15a,b), respectively. When the carboxylate (13a) was treated with 2,4-dinitroaniline, it gave the carboxamide (14a). Compounds (11b,c) reacted with hydrazine derivatives (hydrazine hydrate and phenylhydrazine) yielding the substituted pyrazole derivatives (16b,c) and (17b,c), respectively. All the structures of the synthesized compounds were elucidated by elemental analyses and spectral data. The newly synthesized benzofuran compounds showed a strong to moderate cytotoxicity against liver HEPG2 cancer cell line compared to 5-fluorouracil and doxorubicin (the anticancer agents). Compounds (2, 6a, 13a, 14a, 16c and 17b) were the most active compounds in descending order. The synthesized compounds were also tested for their antimicrobial activity. Compound (10b) showed the highest activity against all the tested strains followed by 6, 10a, 5a, 8b and 7a in descending order. PMID:22876607

El-Nakkady, Sally S; Roaiah, Hanaa F; El-Serwy, Weam S; Soliman, Abdel Mohsen; El-Moez, Sherein I Abd; Abdel-Rahman, Adel A H

2012-01-01

190

Semisynthetic Derivatives of Epothilones  

NASA Astrophysics Data System (ADS)

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.

Altmann, Karl-Heinz

191

Credit Derivatives and Risk Management.  

National Technical Information Service (NTIS)

The striking growth of credit derivatives suggests that market participants find them to be useful tools for risk management. I illustrate the value of credit derivatives with three examples. A commercial bank can use credit derivatives to manage the risk...

M. S. Gibson

2007-01-01

192

Metal derivatives of tetrazoles  

NASA Astrophysics Data System (ADS)

Published data on the synthesis, structure, properties and applications of metal derivatives of tetrazoles are generalised and described systematically. Compounds based on the anionic and neutral tetrazole forms, C- and N-mono- and C,N-disubstituted tetrazoles are considered.

Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Oleg A.

2006-06-01

193

14-methyl epothilone derivatives  

US Patent & Trademark Office Database

Compounds of the invention include 14-mehtyl epothilone derivatives. More generally, preferred compounds of the invention are those that can be produced by altering the epothilone PKS genes as described herein and optionally by action of epothilone modification enzymes and/or by chemically modifying the resulting epothilones produces when those genes are expressed.

2003-06-24

194

Telomeric 30 Overhangs Derive  

E-print Network

Telomeric 30 Overhangs Derive from Resection by Exo1 and Apollo and Fill-In by POT1b-Associated CST and main- tenance of mammalian telomeres, but its synthesis must be regulated to avoid excessive resection of the 50 end, which could cause telomere shortening. How this balance is achieved in mammals has not been

de Lange, Titia

195

Synthesis, Reactions and Evaluation of the Antimicrobial Activity of Some 4-(p-Halophenyl)-4H-naphthopyran, Pyranopyrimidine and Pyranotriazolopyrimidine Derivatives  

PubMed Central

A series of naphthopyran derivatives 3a–f were prepared. Reaction of 2-amino-4-(p-chlorophenyl)-7-methoxy-4H-naphtho[2,1-b]pyran-3-carbonitrile (3b) with Ac2O afforded two products, 2-acetylamino-7-methoxy-4-(p-chlorophenyl)-4H-naphtho-[2,1-b]pyran-3-carbonitrile (4) and 10,11-dihydro-3-methoxy-9-methyl-12-(p-chloro-phenyl)-12H-naphtho[2,1-b]pyran[2,3-d]pyrimidine-11-one (5) and treatment of 3b with benzoyl chloride gave the pyranopyrimidin-11-one derivative 6. While treatment of 3b with formamide afforded 11-amino-3-methoxy-12-(p-chlorophenyl)-12H-naphtho[2,1-b]pyrano[2,3-d]pyrimidine (7). Reaction of 3b with triethyl orthoformate gave the corresponding 2-ethoxymethyleneamino-7-methoxy-4-(p-chlorophenyl)-4H-naphtho-[2,1-b]pyran-3-carbonitrile (8). Hydrazinolysis of 8 in EtOH at room temperature yielded 10-amino-10,11-dihydro-11-imino-3-methoxy-12-(p-chlorophenyl)-12H-naphtho[2,1-b]pyrano-[2,3-d]pyrimidine (9), while aminolysis of 8 with methylamine or dimethylamine gave the corresponding pyranopyrimidine and N,N-dimethylaminomethylene derivatives 10 and 11. Condensation of 9 with some carboxylic acid derivatives afforded triazolopyrimidine derivatives 12–16, while reaction of 9 with benzaldehyde gave 10-benzalamino-10,11-dihydro-11-imino-3-methoxy-12-(p-chlorophenyl)12H-naphtho[2,1-b]pyrano[2,3-d]pyrimidine (17). The structures of the newly synthesized compounds were confirmed by spectral data. The synthesized compounds were also screened for their antimicrobial activity. PMID:24281710

Abd El-Wahab, Ashraf H. F.

2012-01-01

196

Iterative higher derivations: integrability Iterative higher derivations: axiomatization  

E-print Network

Multiplicatively iterative higher derivations D. Homann1 P. Kowalski2 1n/a 2Instytut Matematyczny Uniwersytetu WrocÂŞawskiego Logic Colloquium 2012, Manchester Homann, Kowalski Higher derivations #12;Iterative higher! = 0 !) Homann, Kowalski Higher derivations #12;Iterative higher derivations: integrability Iterative

Kowalski, Piotr

197

Fractional Derivative Cosmology  

E-print Network

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.

Mark D. Roberts

2009-09-07

198

A persistent diazaheptacene derivative.  

PubMed

We describe the synthesis of characterizable diazaheptacene derivatives. Diazaheptacenes need four silylethynyl protecting groups to be isolable. TIPS-ethynyl groups are not bulky enough to allow stabilization. Four Si(sec-Bu)3-ethynyl groups symmetrically attached to the acene core sufficiently protect the formed diazaheptacene from dimerization through Diels-Alder reaction. It was characterized by NMR and UV-vis spectroscopies and cyclic voltammetry. PMID:25295844

Engelhart, Jens U; Tverskoy, Olena; Bunz, Uwe H F

2014-10-29

199

Functional Derivatives of Polyisobutene  

NASA Astrophysics Data System (ADS)

The methods of synthesis of isobutene polymers with end groups of different types are examined. It is shown that advances in the synthesis of these compounds are associated with the progress in the field of the regulation of the cationic polymerisation and copolymerisation of isobutene and the degradation of isobutene polymers and copolymers. Examples of the employment of functional derivatives of isobutene polymers in various branches of technology are presented. The bibliography includes 102 references.

Sangalov, Yu A.; Yasman, Yu B.

1985-07-01

200

Computation of Mie derivatives.  

PubMed

Analytical expressions are obtained for the derivatives of Mie scattering coefficients with respect to the electrical radius of the spherical scattering particle, and to the relative permittivity and permeability of both the particle and the surrounding medium. Their corresponding approximate expressions are developed to avoid numerical overflow based on the logarithmic derivative of Riccati-Bessel functions. The analytical expressions have been verified by comparing their results with those calculated by analytical expressions developed by Mathematica. Compared with the numerical derivative, the analytical expressions and approximate expressions show a higher accuracy and are 2.0 and 2.8 times, respectively, faster in the case of a single magnetodielectric sphere. Generally, for spheres with an electrical radius in a large range, the approximate expressions can yield acceptable accuracy and computation time up to a high order. This work can be used in the design of nonmetallic metamaterials, and in the retrieval of aerosol properties from remote sensing data. An example calculation is given for the design of an optical, all-dielectric, mu-negative metamaterial consisting of a simple cubic array of tellurium nanoparticles. PMID:23852216

Li, Yang; Bowler, Nicola

2013-07-10

201

Derivative computation by multiscale filters  

Microsoft Academic Search

It is a common problem to compute the derivative of a signal in image processing and computer vision. So far, in most of the computational methods, the nth order derivative of a noisy signal is obtained by filtering the signal by a nth Order Derivative Filter (NODF), which is the nth order derivative of a smooth filter. In order to

Song De Ma; Bingcheng Li

1998-01-01

202

Notion of a virtual derivative  

E-print Network

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.

Gintaras Valiukevicius

2011-01-04

203

Lewis Acid catalyzed three-component hetero-Diels-alder (povarov) reaction of N-arylimines with strained norbornene-derived dienophiles.  

PubMed

Generally, the hetero-Diels-Alder reaction (Povarov reaction) of N-arylimine dienes are limited to reaction with activated, electron-rich alkenes. However, introduction of ring strain in the dienophile, as with moderately strained bicyclo[2.2.1]heptenes (norbornene), enables three-component Povarov reaction with in situ formed N-arylimines under Lewis acid catalyzed conditions (BF(3).OEt(2)). The reactions proceed efficiently with a diverse set of commercially available anilines and benzaldehydes, as well as a variety of substituted norbornenes. The corresponding tetrahydroquinolines are formed with high complexity in a multicomponent fashion and are obtained in good yield and high diastereoselectivity. In addition, more reactive ethyl glyoxylate derived imines were utilized to achieve faster, room temperature reactions with norbornene. In all cases, attack of the N-arylimine dienes occurred exclusively from the exo-face of the norbornene ring, but the relative stereochemistry of the substituent alpha to the tetrahydroquinoline nitrogen, as well as the regioselectivity of reaction, was shown to depend upon subtle substituent effects on the aniline precursors. In most cases, a preference for the formation of exo-exo diastereomeric adducts was observed, but for reactions of ortho- or meta-substituted anilines, the formation of exo-endo adducts was also observed. These observations may be rationalized by two competing mechanistic models, involving either a concerted asynchronous [4 + 2]-like mechanism or a stepwise mechanism. PMID:20039638

Smith, Chris D; Gavrilyuk, Julia I; Lough, Alan J; Batey, Robert A

2010-02-01

204

Acquiring Knowledge of Derived Nominals and Derived Adjectives in Context  

ERIC Educational Resources Information Center

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…

Marinellie, Sally A.; Kneile, Lynn A.

2012-01-01

205

2,3-Dimeth-oxy-benzaldehyde azine.  

PubMed

There are one-and-a-half independent mol-ecules in the asymmetric unit of the title compound, C(18)H(20)N(2)O(4). One mol-ecule is centrosymmetric with the mid-point of the N-N bond located on a center of inversion. In the other, which lies on a general position, the benzene rings are aligned at 21.6?(1)°. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal strcture. PMID:21523179

Ali, Qamar; Anis, Itrat; Raza Shah, M; Ng, Seik Weng

2011-01-01

206

2,3-Dimeth-oxy-benzaldehyde azine  

PubMed Central

There are one-and-a-half independent mol­ecules in the asymmetric unit of the title compound, C18H20N2O4. One mol­ecule is centrosymmetric with the mid-point of the N—N bond located on a center of inversion. In the other, which lies on a general position, the benzene rings are aligned at 21.6?(1)°. Weak inter­molecular C—H?O hydrogen bonding is present in the crystal strcture. PMID:21523179

Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng

2011-01-01

207

Higher-derivative 3-algebras  

E-print Network

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.

Mohsen Alishahiha; Sunil Mukhi

2008-08-22

208

Radioactively labelled porphyrin derivatives  

NASA Astrophysics Data System (ADS)

Radioactive labelling of guanidine-bearing tetraphenylporphyrin and Dy—texaphyrin with selected radionuclides (166Ho and 90Y) is described. A basic characterisation of studied porphyrin and texaphyrin, including their behaviour in a wide range of pH values and data on holmium and yttrium complexation with these compounds was probed using UV-VIS absorption spectrometry. The labelling yield of these macrocyclic molecules depends on the pH of the reaction mixture, metal: ligand ratio and time of incubation. Optimal reaction conditions for formation of porphyrin and texaphyrin radioactive complexes were determined by thin layer chromatography with the detection of ?- activity. The ability of porphyrin derivatives to bind anions was examined as well. Our experiments were focused on perrhenate ion (ReO4 -) because radiopharmaceuticals labelled with isotopes 186Re and 188Re play an important role in therapy of numerous tumour diseases. The possibility of applying ReO4 - anion directly for labelling purposes, without the necessity of its reduction to lower oxidation state, was not proved.

Koní?ová, R.; Ernestová, M.; Jedináková-K?ížová, V.; Král, V.

2003-01-01

209

Vaccine-derived polioviruses.  

PubMed

The attenuated oral poliovirus vaccine (OPV) has many properties favoring its use in polio eradication: ease of administration, efficient induction of intestinal immunity, induction of durable humoral immunity, and low cost. Despite these advantages, OPV has the disadvantage of genetic instability, resulting in rare and sporadic cases of vaccine-associated paralytic poliomyelitis (VAPP) and the emergence of genetically divergent vaccine-derived polioviruses (VDPVs). Whereas VAPP is an adverse event following exposure to OPV, VDPVs are polioviruses whose genetic properties indicate prolonged replication or transmission. Three categories of VDPVs are recognized: (1) circulating VDPVs (cVDPVs) from outbreaks in settings of low OPV coverage, (2) immunodeficiency-associated VDPVs (iVDPVs) from individuals with primary immunodeficiencies, and (3) ambiguous VDPVs (aVDPVs), which cannot be definitively assigned to either of the first 2 categories. Because most VDPVs are type 2, the World Health Organization's plans call for coordinated worldwide replacement of trivalent OPV with bivalent OPV containing poliovirus types 1 and 3. PMID:25316847

Burns, Cara C; Diop, Ousmane M; Sutter, Roland W; Kew, Olen M

2014-11-01

210

Experts' understanding of partial derivatives using the Partial Derivative Machine  

E-print Network

Partial derivatives are used in a variety of different ways within physics. Most notably, thermodynamics uses partial derivatives in ways that students often find confusing. As part of a collaboration with mathematics faculty, we are at the beginning of a study of the teaching of partial derivatives, a goal of better aligning the teaching of multivariable calculus with the needs of students in STEM disciplines. As a part of this project, we have performed a pilot study of expert understanding of partial derivatives across three disciplines: physics, engineering and mathematics. Our interviews made use of the Partial Derivative Machine (PDM), which is a mechanical system featuring four observable and controllable properties, of which any two are independent. Using the PDM, we probed expert understanding of partial derivatives in an experimental context in which there is not a known functional form. Through these three interviews, we found that the mathematicians exhibited a striking difference in their underst...

Roundy, David; Dray, Tevian; Manogue, Corinne A; Weber, Eric

2014-01-01

211

Limits and Derivatives: The Derivative as a Function  

NSDL National Science Digital Library

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.

Freeze, Michael

2003-01-22

212

Derivative-Discontinuous Electroheat Control  

Microsoft Academic Search

In electroheat processes such as induction furnaces, arc furnaces, radiant furnaces, plasma torches, fluidized beds, etc., that are usually discontinuously controlled (because of the large power ratings involved) a great deal of confusion has existed as to the effect of derivative signals in the primary feedback loop. This has resulted in empirical design rules for the derivative feedback in controllers

Willim K. Roots; Malayappan Shridhar

1969-01-01

213

12 CFR 563.172 - Financial derivatives.  

Code of Federal Regulations, 2012 CFR

...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...

2012-01-01

214

12 CFR 163.172 - Financial derivatives.  

...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...

2014-01-01

215

12 CFR 163.172 - Financial derivatives.  

Code of Federal Regulations, 2013 CFR

...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...

2013-01-01

216

12 CFR 390.352 - Financial derivatives.  

Code of Federal Regulations, 2012 CFR

...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...

2012-01-01

217

12 CFR 390.352 - Financial derivatives.  

...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...

2014-01-01

218

12 CFR 163.172 - Financial derivatives.  

Code of Federal Regulations, 2012 CFR

...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...

2012-01-01

219

12 CFR 390.352 - Financial derivatives.  

Code of Federal Regulations, 2013 CFR

...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...

2013-01-01

220

12 CFR 563.172 - Financial derivatives.  

Code of Federal Regulations, 2011 CFR

...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...

2011-01-01

221

12 CFR 563.172 - Financial derivatives.  

Code of Federal Regulations, 2013 CFR

...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...

2013-01-01

222

12 CFR 563.172 - Financial derivatives.  

...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...

2014-01-01

223

Complex higher order derivative theories  

SciTech Connect

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.

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

224

Elevation Derivatives for National Applications  

USGS Publications Warehouse

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).

Geological Survey (U.S.)

2005-01-01

225

Derivative Estimation with Local Polynomial Fitting Derivative Estimation with Local Polynomial Fitting  

E-print Network

Derivative Estimation with Local Polynomial Fitting Derivative Estimation with Local Polynomial derivatives nonparametrically with- out estimating the regression function. Derivative estimation plays of regression curves, analysis of human growth data, etc. Hence, the study of estimat- ing derivatives

226

Antifungal and Antioxidant Activities of Pyrrolidone Thiosemicarbazone Complexes  

PubMed Central

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

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

2012-01-01

227

Radiative $?$ decays with derivative interactions  

E-print Network

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.

Francesco Giacosa; Giuseppe Pagliara

2008-04-09

228

Polyaminopolycarboxylic Acids derived from Polyethyleneamines  

Microsoft Academic Search

THE effects of increasing length of the alkylene bridge on acid dissociation constants and metal chelate stability constants of homologues of ethylene-diaminetetra-acetic acid derived from polymethylene-diamines have been reported within recent years1. The effects of an increase in the polydentate and polyelectrolyte nature of polyaminopolycarboxylic acids derived from polyethylene polyamines have not been investigated except for a brief report on

Albert E. Frost

1956-01-01

229

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

230

Nucleoside derivatives from the marine-derived fungus Aspergillus versicolor.  

PubMed

Four nucleoside derivatives (1-4) were isolated from the fungus Aspergillus versicolor derived from the gorgonian Dichotella gemmacea collected in the South China Sea. Their structures were elucidated by comprehensive spectroscopic method of NMR and MS analysis. All isolated metabolites were evaluated for their cytotoxicity, antibacterial activity and lethality towards brine shrimp Artemia salina. Compounds 1/2 exhibited selective antibacterial activity against Staphylococcus epidermidis with an MIC value of 12.5 ?M. It should be noted that 1 and 2, whose structures were listed in SciFinder Scholar, had no associated reference. This is the first report about their isolation, structure elucidation and biological activities. PMID:24670197

Chen, Min; Fu, Xiu-Mei; Kong, Chui-Jian; Wang, Chang-Yun

2014-01-01

231

Colorimetric fluorescent cyanide chemodosimeter based on triphenylimidazole derivative.  

PubMed

In this paper, we demonstrated a highly selective colorimetric chemodosimeter for cyanide anion detection. This chemodosimeter having a triphenylimidazole group as a fluorescent signal unit and a dicyano-vinyl group as a reaction unit was synthesized by the Knoevenagel condensation of 4-(4,5-diphenyl-1H-imidazol-2-yl)benzaldehyde with malononitrile in a reasonable yield. The probe exhibited an intramolecular charge transfer (ICT) absorption band at 420 nm and emission band at 620 nm, respectively. Upon the addition of cyanide anion, the probe displayed a blue-shifted spectrum and loss in color due to the disruption of conjugation. With the aid of the fluorescence spectrometer, the chemodosimeter exhibited a detection limit of 0.11 ?M (S/N=3). Interferences from other common anions associated with cyanide anion analysis were effectively inhibited. PMID:24463246

Zheng, Wei; He, Xiangzhu; Chen, Hongbiao; Gao, Yong; Li, Huaming

2014-04-24

232

Magnetic cellulose-derivative structures  

DOEpatents

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.

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

1986-09-16

233

Magnetic cellulose-derivative structures  

DOEpatents

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.

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

1986-09-16

234

Canonical derivation of effective potentials  

E-print Network

A canonical formulation of effective equations describes quantum corrections by the back-reaction of moments on the dynamics of expectation values of a state. As a first step toward an extension to quantum-field theory, these methods are applied here to the derivation of effective potentials around a homogeneous vacuum expectation value of scalar fields. A comparison with the standard Coleman-Weinberg potential shows that the new methods correctly include all relevant quantum corrections. At the same time, the effective potential is shown to be correct also for non-Fock and mixed states. Several explicit results are derived in models of interacting scalars and fermions.

Bojowald, Martin

2014-01-01

235

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

Code of Federal Regulations, 2010 CFR

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

2010-07-01

236

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

Code of Federal Regulations, 2012 CFR

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

2012-07-01

237

40 CFR 721.9658 - Thiadiazole derivative.  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

238

40 CFR 721.9658 - Thiadiazole derivative.  

Code of Federal Regulations, 2011 CFR

...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...

2011-07-01

239

40 CFR 721.5913 - Phenothiazine derivative.  

Code of Federal Regulations, 2010 CFR

...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...

2010-07-01

240

40 CFR 721.9658 - Thiadiazole derivative.  

Code of Federal Regulations, 2012 CFR

...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...

2012-07-01

241

46 CFR 503.55 - Derivative classification.  

Code of Federal Regulations, 2013 CFR

...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)...

2013-10-01

242

46 CFR 503.55 - Derivative classification.  

Code of Federal Regulations, 2012 CFR

...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)...

2012-10-01

243

45 CFR 601.5 - Derivative classification.  

Code of Federal Regulations, 2013 CFR

...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...

2013-10-01

244

40 CFR 721.9658 - Thiadiazole derivative.  

Code of Federal Regulations, 2010 CFR

...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...

2010-07-01

245

18 CFR 1301.65 - Derivative classification.  

...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)...

2014-04-01

246

18 CFR 1301.65 - Derivative classification.  

Code of Federal Regulations, 2013 CFR

...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)...

2013-04-01

247

40 CFR 721.5913 - Phenothiazine derivative.  

Code of Federal Regulations, 2011 CFR

...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...

2011-07-01

248

28 CFR 17.26 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...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...

2011-07-01

249

28 CFR 17.26 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...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...

2010-07-01

250

46 CFR 503.55 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...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)...

2010-10-01

251

45 CFR 601.5 - Derivative classification.  

Code of Federal Regulations, 2012 CFR

...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...

2012-10-01

252

28 CFR 17.26 - Derivative classification.  

...2014-07-01 2014-07-01 false Derivative classification. 17.26 Section...Classified Information § 17.26 Derivative classification. (a) Persons...classification guides. (b) Persons who apply derivative classification markings shall...

2014-07-01

253

18 CFR 1301.65 - Derivative classification.  

Code of Federal Regulations, 2012 CFR

...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)...

2012-04-01

254

28 CFR 17.26 - Derivative classification.  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

255

45 CFR 601.5 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...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...

2011-10-01

256

28 CFR 17.26 - Derivative classification.  

Code of Federal Regulations, 2012 CFR

...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...

2012-07-01

257

40 CFR 721.5913 - Phenothiazine derivative.  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

258

46 CFR 503.55 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...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)...

2011-10-01

259

Quaternion Derivatives: The GHR Calculus  

E-print Network

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.

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

2014-09-25

260

Program for IIB Derivative Corrections  

E-print Network

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.

Gordon Chalmers

2005-11-05

261

Electrochromism of photochromic diarylethene derivative  

NASA Astrophysics Data System (ADS)

The diarylethene may undergo photochemical ring-closing reaction and both photochemical and electrochemical ring-opening reaction. Irradiation of the open form with UV light results in essentially quantitative photocyclization to the deeply colored form. The dithienylcyclopentene derivative in their ring-closed forms can undergo ring-opening upon electrochemical oxidation.

Zhou, Xinhong; Pu, Shouzhi; Zhang, Fushi; Zhao, Fuqun; Liu, Xuedong; Xu, Fengying; Fan, Guifang

2005-01-01

262

Statistically Derived Static Process Models  

Microsoft Academic Search

There are a number of occasions in most manufacturing processes where product quality is measured infrequently and often offline. In these cases statistically derived steady state models have proven adequate to identify important process variables which must be better controlled to improve product quality or to increase process throughput. This paper describes some of the important factors to be considered

Robert W. Mc Clure

1986-01-01

263

Quinuclidine Derivatives as Potential Antiparasitics?  

PubMed Central

There is an urgent need for the development of new drugs for the treatment of tropical parasitic diseases such as Chagas' disease and leishmaniasis. One potential drug target in the organisms that cause these diseases is sterol biosynthesis. This paper describes the design and synthesis of quinuclidine derivatives as potential inhibitors of a key enzyme in sterol biosynthesis, squalene synthase (SQS). A number of compounds that were inhibitors of the recombinant Leishmania major SQS at submicromolar concentrations were discovered. Some of these compounds were also selective for the parasite enzyme rather than the homologous human enzyme. The compounds inhibited the growth of and sterol biosynthesis in Leishmania parasites. In addition, we identified other quinuclidine derivatives that inhibit the growth of Trypanosoma brucei (the causative organism of human African trypanosomiasis) and Plasmodium falciparum (a causative agent of malaria), but through an unknown mode(s) of action. PMID:17709461

Cammerer, Simon B.; Jimenez, Carmen; Jones, Simon; Gros, Ludovic; Lorente, Silvia Orenes; Rodrigues, Carlos; Rodrigues, Juliany C. F.; Caldera, Aura; Ruiz Perez, Luis Miguel; da Souza, Wanderley; Kaiser, Marcel; Brun, Reto; Urbina, Julio A.; Gonzalez Pacanowska, Dolores; Gilbert, Ian H.

2007-01-01

264

Certain derivatives of aminomethylphosphonic acid  

Microsoft Academic Search

Summary 1.Experiments on the acylatlon of aminomethylphosphonic acid show that it proceeds with greater difficulty than the acylation of glycine. Acetamidomethyl-, (chloroacetamido)methyl-, and phthalimidamethyl-phosphonic acids have been prepared.2.The methylation of aminomethylphosphonic acid has been effected by means of methyl iodide in a methanol mediums, and it has been shown that a quaternary iodide derived from the phosphonobetaine is formed. It

Me Io Kabachnik; T. Ya. Medved

1953-01-01

265

Weather Forecasting for Weather Derivatives  

Microsoft Academic Search

Abstract: We take a nonstructural time-series approach to modeling and forecasting daily average temperature in ten U.S. cities, and we inquire systematically as to whether it may prove useful from the vantage point of participants in the weather derivatives market. The answer is, perhaps surprisingly, yes. Time series modeling reveals both strong conditional mean dynamics,and conditional variance dynamics in daily

Sean D. Campbell; Francis X. Diebold

2005-01-01

266

Parsing with the Shortest Derivation  

Microsoft Academic Search

Common wisdom has it that the bias of stochastic grammars in favor of shorter derivations of a sentence is harmful and should be redressed. We show that the common wisdom is wrong for stochastic grammars that use elementary trees instead of context-free rules, such as Stochastic Tree-Substitution Grammars used by Data-Oriented Parsing models. For such grammars a -probabilistic metric based

Rens Bod

2000-01-01

267

Deriving confinement via RG decimations  

E-print Network

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 $0 < \\beta < \\infty$, for space-time dimension $d \\leq 4$. The method employs approximate but explicitly computable RG 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.

E. T. Tomboulis

2007-10-10

268

Preparation and evaluation of technetium-99m labeled cardiac glycoside derivatives as potential myocardial imaging agent.  

PubMed

Three cardiac glycosides, two natural, cymarin and convallotoxin and one synthetic, strophanthidin-beta-D-glucoside were converted to their thiosemicarbazone and subsequently radiolabeled with 99mTc by chelation. The resulting radioactive chelate complexes were evaluated in animals to determine the suitability of this class of compounds for myocardial imaging. It was observed from the animal biodistribution data of the three radioactive compounds, there was a considerable variation in the heart to non-target organ uptake ratio. A possible explanation of this variation was offered in the light of their lipophilic character, protein binding ability and affinity towards non-target receptors. It is anticipated that this study may help to develop a 99mTc-cardiac glycoside complex with better distribution characteristics, and such a compound may offer a suitable alternative to 201Tl, which is at present used for myocardial imaging. PMID:3255737

Misra, M; Sarkar, H S; Chatterjee, M; Banerjee, S

1988-01-01

269

Newton's hypothetical orbits independently derived.  

NASA Astrophysics Data System (ADS)

The mathematical results of four hypothetical orbital problems from the Principia are confirmed by an independent physical method. Each orbital problem that Newton posed and solved is characterized as follows. Given the shape of the orbit and the position of the force center, find the functional form of the central attractive force that will keep a body moving around the orbit. None of Newton's hypothetical orbital problems has so far found any apparent practical application, whereas the Kepler problem, also solved by Newton in the Principia, is of great importance to physics. The Kepler problem too can be derived easily by the present method. Newton used primarily geometrical constructions and logical deductions to arrive at his force functions. In contrast to this, the present (inverse) approach is based on a force balance: as a body moves along a curved path the outward centrifugal force always balances the component of the inward attractive force that is perpendicular to the orbit. Taking the functional form for the central force derived by Newton and inserting it into the force balance, the orbital shape can be derived by solving an ordinary second-order differential equation-the forced harmonic oscillator equation. Two of Newton's four force functions examined in this way lead to (different) fully nonlinear differential equations, which, surprisingly, can both be solved analytically and in closed form by means of the elementary functions that describe the shapes of the orbits.

Kenyon, K. E.

270

Nonparametric Derivative Estimation Kris De Brabanter a  

E-print Network

Nonparametric Derivative Estimation Kris De Brabanter a Jos De Brabanter a b Bart De Moor automated framework for estimating first order derivatives non- parametrically. Derivative estimation plays of regression curves, analysis of human growth data, etc. Hence, the study of estimating derivatives

271

Edge Detection Discrete approx. of a derivative  

E-print Network

Edge Detection #12;· Discrete approx. of a derivative · Threshold the derivative image · Second derivative, zero crossing detect ­ Weak edges (gradual variation) detected better, less chance of multiple edge responses · Derivative: enhances noise · Band-pass filtering: some smoothing followed

Vaswani, Namrata

272

An assessment of derived flood frequency distributions  

E-print Network

Flood Frequency Curve - Turtle Creek. . . FIG. 9. Statistical Flood Frequency Curve - Halls Bayou . . . . . . 51 . . . 51 FIG. 10. Derived Flood Frequency Curves ? South Rocky Creek. . . . . . 53 FIG. 11. Derived Flood Frequency Curves - Briar Creek... . . FIG. 12, Derived Flood Frequency Curves - Turtle Creek. . . FIG. 13. Derived Flood Frequency Curves - Halls Bayou. . . . . . . . . . . . . . FIG. 14. Simulation Flood Frequency Curve ? South Rocky Creek. . . . . . 54 . . . 56 FIG. 15. Simulation...

Raines, Timothy Howard

2012-06-07

273

Dynamical derivation of Bode's law  

E-print Network

In a planetary or satellite system, idealized as n small bodies in initially coplanar, concentric orbits around a large central body, obeying Newtonian point-particle mechanics, resonant perturbations will cause dynamical evolution of the orbital radii except under highly specific mutual relationships, here derived analytically apparently for the first time. In particular, the most stable situation is achieved (in this idealized model) only when each planetary orbit is roughly twice as far from the Sun as the preceding one, as observed empirically already by Titius (1766) and Bode (1778) and used in both the discoveries of Uranus (1781) and the Asteroid Belt (1801). ETC.

Bass, R W

2002-01-01

274

Dynamical derivation of Bode's law  

E-print Network

In a planetary or satellite system, idealized as n small bodies in initially coplanar, concentric orbits around a large central body, obeying Newtonian point-particle mechanics, resonant perturbations will cause dynamical evolution of the orbital radii except under highly specific mutual relationships, here derived analytically apparently for the first time. In particular, the most stable situation is achieved (in this idealized model) only when each planetary orbit is roughly twice as far from the Sun as the preceding one, as observed empirically already by Titius (1766) and Bode (1778) and used in both the discoveries of Uranus (1781) and the Asteroid Belt (1801). ETC.

Robert W. Bass

2002-09-13

275

Myeloid-derived suppressor cells  

PubMed Central

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

Chandra, Dinesh; Gravekamp, Claudia

2013-01-01

276

Binder enhanced refuse derived fuel  

DOEpatents

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.

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

1996-01-01

277

Credit derivatives and sovereign debt  

E-print Network

WORKING PAPER NO 23 CREDIT DERIVATIVES AND SOVERIEGN DEBT CRISES Benedikt Goderis & Wolf Wagner The Working Paper is intended as a means whereby researchers’ thoughts and findings may be communicated to interested readers... . © 2005 Benedikt Goderis & Wolf Wagner Comments and suggestions would be welcomed by the authors e-mail: w.wagner@cerf.cam.ac.uk #1;#2;#3;#4;#5;#6; #7;#3;#2;#5;#8; #6;#5;#8;#3; #11;#4; #12; #8;#3;#2;#3;#5;#14;#11; #7;#3;#15;#6; #1;#2;#5; #3; #1...

Goderis, Benedikt; Wagner, Wolf

278

Fourth order spatial derivative gravity  

NASA Astrophysics Data System (ADS)

In this work, we study a modified theory of gravity that contains up to fourth order spatial derivatives as a model for the Ho?ava-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.

Bemfica, F. S.; Gomes, M.

2011-10-01

279

A study on real estate derivatives  

E-print Network

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 ...

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

2006-01-01

280

17 CFR 200.506 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...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...

2010-04-01

281

17 CFR 200.506 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...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...

2011-04-01

282

17 CFR 200.506 - Derivative classification.  

...Exchanges 3 2014-04-01 2014-04-01 false Derivative classification. 200.506 Section 200.506 Commodity...National Security Information and Material § 200.506 Derivative classification. Any document that includes...

2014-04-01

283

5 CFR 2500.5 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...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...

2011-01-01

284

5 CFR 2500.5 - Derivative classification.  

...Personnel 3 2014-01-01 2014-01-01 false Derivative classification. 2500.5 Section 2500.5 Administrative...PRESIDENT INFORMATION SECURITY REGULATION § 2500.5 Derivative classification. The Office of Administration serves...

2014-01-01

285

5 CFR 2500.5 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...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...

2010-01-01

286

12 CFR 403.4 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...that derives its classification from information...effective date of the Order, April 2, 1982...that derives its classification under prior orders shall be treated...material bears a classification date or event...

2010-01-01

287

12 CFR 403.4 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...that derives its classification from information...effective date of the Order, April 2, 1982...that derives its classification under prior orders shall be treated...material bears a classification date or event...

2011-01-01

288

Derivative Sign Patterns in Two Dimensions  

ERIC Educational Resources Information Center

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.

Schilling, Kenneth

2013-01-01

289

Stability derivatives of cones at supersonic speeds  

NASA Technical Reports Server (NTRS)

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.

Tobak, Murry; Wehrend, William R

1956-01-01

290

Thermodynamic Partial Derivatives and Experimentally Measurable Quantities.  

ERIC Educational Resources Information Center

Proposed is a flow-chart and related formulas to obtain expressions for the derivatives of the old thermodynamic function in terms of new variables, the new function and its derivatives, and derivatives of the old function, involving only measurable quantities. (CW)

Estevez, Gentil A.; And Others

1989-01-01

291

The Fourth Partial Derivative In Transport Dynamics  

E-print Network

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.

Trinh Khanh Tuoc

2010-01-11

292

Improved Second Derivative Test for Relative Extrema  

ERIC Educational Resources Information Center

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,…

Wu, Yan

2007-01-01

293

A Relational Derivation of a Functional Program  

Microsoft Academic Search

This article is an introduction to the use of relational calculi in deriving programs. We present a derivation in a relational language of a functional program that adds one bit to a binary number. The resulting program is unsurprising, being the standard 'column of half{adders', but the derivation illustrates a number of points about working with relations rather than functions.

Graham Hutton

1992-01-01

294

Gruneisen parameter: measurement of the strain derivatives  

Microsoft Academic Search

The derivatives of non-linear coupling coefficients in the Taylor expansion of thermodynamic potentials should play a major role in solids driven off equilibrium. A measurement is described of the derivatives of the Gruneisen thermomechanical state function gamma with respect to the imposed tensile deformation epsilon *. For alpha -Ti, these derivatives are found to be delta gamma \\/ delta epsilon

C. E. Bottani; G. Caglioti; P. M. Ossi

1981-01-01

295

Nile Blue derivatives as lysosomotropic photosensitizers  

Microsoft Academic Search

The benzophenoxazines, including several Nile blue analogues, are a unique group of dyes that localize selectively in animal tumors. Chemical modifications of Nile blue A can yield derivatives with high 1O2 quantum yields. These derivatives represent a group of potentially effective photosensitizers for selective phototherapy of malignant tumors. In vitro evaluation of these derivatives has indicated that those with high

Chi-Wei Lin; Janine R. Shulok; S. D. Kirley; Louis Cincotta; James W. Foley

1991-01-01

296

Zinc oxide as an economical and efficient catalyst for the one-pot preparation of ?-acetamido ketones via a four-component condensation reaction  

Microsoft Academic Search

A new, efficient, one-pot, four-component condensation of benzaldehyde derivatives, acetophenone derivatives, acetyl chloride and acetonitrile in the presence of zinc oxide as catalyst is described for the synthesis of ?-acetamido ketones.

Malek Taher Maghsoodlou; Asadollah Hassankhani; Hamid Reza Shaterian; Sayyed Mostafa Habibi-Khorasani; Elaheh Mosaddegh

2007-01-01

297

Do you trust derivatives or differences?  

NASA Astrophysics Data System (ADS)

We analyze the relationship between the noise level of a function and the accuracy and reliability of derivatives and difference estimates. We derive and empirically validate measures of quality for both derivatives and difference estimates. Using these measures, we quantify the accuracy of derivatives and differences in terms of the noise level of the function. An interesting observation based on these results is that the derivative of a function is not likely to have working precision accuracy for functions with modest levels of noise.

Moré, Jorge J.; Wild, Stefan M.

2014-09-01

298

Structural design utilizing updated, approximate sensitivity derivatives  

NASA Technical Reports Server (NTRS)

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.

Scotti, Stephen J.

1993-01-01

299

Representations of partial derivatives in thermodynamics  

NASA Astrophysics Data System (ADS)

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

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

2012-02-01

300

2-Methoxy-benzamide derivatives  

US Patent & Trademark Office Database

The invention provides novel 2-methoxy-benzamide derivatives of the formula: ##STR1## in which n is 1 or 2; R.sub.1 represents a cycloalkyl-alkyl radical of formula: ##STR2## a phenylalkyl radical of formula ##STR3## (in which m is an integer from 2 to 5, A is a linear or branched alkylene chain of 1 to 4 carbon atoms, and R.sub.4 is hydrogen, halogen, especially fluorine or chlorine, trifluoromethyl, or alkyl or alkoxy of 1 to 3 carbon atoms), CNCH.sub.2 --CH.sub.2 --, CH.tbd.C--CH.sub.2 --, ##STR4## R.sub.2 is either chlorine, SO.sub.2 R.sub.5 (in which R.sub.5 is alkyl of 1 to 4 carbon atoms), or SO.sub.2 NR.sub.6 R.sub.7 (in which, R.sub.6 and R.sub.7, which are identical or different, represent, independently of one another, hydrogen or alkyl of 1 to 4 carbon atoms); and R.sub.3 is hydrogen or alkyl of 1 to 4 carbon atoms; in the form of racemates or optical isomers, and their pharmaceutically acceptable acid addition salts, which are useful in the treatment of psychosomatic and pyschotic disturbances.

1980-02-19

301

Unconventional fuel: Tire derived fuel  

SciTech Connect

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.

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

1995-09-01

302

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

E-print Network

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.

Khorrami, M; Alimohammadi, M

1996-01-01

303

Drug laws and the 'derivative' problem.  

PubMed

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

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

2014-01-01

304

Variational Lie derivative and cohomology classes  

E-print Network

We relate cohomology defined by a system of local Lagrangian with the cohomology class of the system of local variational Lie derivative, which is in turn a local variational problem; we show that the latter cohomology class is zero, since the variational Lie derivative `trivializes' cohomology classes defined by variational forms. As a consequence, conservation laws associated with symmetries ensuring the vanishing of the second variational derivative of a local variational problem are globally defined.

Marcella Palese; Ekkehart Winterroth

2011-03-02

305

A nonlinear two compartmental fractional derivative model  

Microsoft Academic Search

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

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

306

Adsorption and desorption of cellulose derivatives  

Microsoft Academic Search

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

C. W. Hoogendam

1998-01-01

307

Anisotropic higher derivative gravity and inflationary universe  

E-print Network

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.

W. F. Kao

2006-05-21

308

Synthesis of polyfluorene derivatives through polymer reaction  

NASA Astrophysics Data System (ADS)

A polyfluorene derivative with ester functional groups was synthesized with a high molecular weight and good solubility in common organic solvents through the Suzuki reaction. Efficient blue light emission and good electrochemical properties were demonstrated for this polymer with a decomposition temperature of 331 °C and a glass transition temperature of 111 °C. Due to the ester functional groups, the polymer could be further modified through polymer reactions. Hydrolysis of the polymer afforded a water-soluble carbonate functional polyfluorene derivative. While it underwent a reduction, a new polyfluorene derivative with hydroxy functional groups was obtained. Thermal and optical properties of the derivatives were also studied.

Liu, Bin; Yu, Wang-Lin; Lai, Yee-Hing; Huang, Wei

2003-01-01

309

Higher Derivatives in Geometry and Physics  

Microsoft Academic Search

Two related ways to invariantly study higher derivatives, new-tensors and derivative strings, are compared, and the idea of suppression operator, or multiplier, is introduced. It renders the formal expression of the new objects almost as simple as that of ordinary tensors. Jacobians as a subgroup of the full second-order group are identified, and the harmonic subgroup leaving Laplace's equation invariant

B. L. Foster

1989-01-01

310

Development of the beta-pressure derivative  

E-print Network

of MASTER OF SCIENCE December 2006 Major Subject: Petroleum Engineering DEVELOPMENT OF THE ? -PRESSURE DERIVATIVE A Thesis by NIMA HOSSEINPOUR-ZONOOZI Submitted to the Office of Graduate..., Stephen A. Holditch December 2006 Major Subject: Petroleum Engineering iii ABSTRACT Development of the ? -Pressure Derivative. (December 2006) Nima Hosseinpour-Zonoozi, B.S., Petroleum University of Technology...

Hosseinpour-Zoonozi, Nima

2007-04-25

311

Wavelets for computationally efficient hyperspectral derivative analysis  

Microsoft Academic Search

Smoothing followed by a derivative operation is often used in the analysis of hyperspectral signatures. The width of the smoothing and\\/or derivative operator can greatly affect the utility of the method. If one is unsure of the appropriate width or would like to conduct analysis for several widths, scale-space images can be used. This paper shows how the wavelet transform

Lori Mann Bruce; Jiang Li

2001-01-01

312

Can material time derivative be objective?  

E-print Network

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.

T. Matolcsi; P. Van

2005-10-10

313

Tilt/Integral/Derivative Compensators For Controllers  

NASA Technical Reports Server (NTRS)

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.

Lurie, Boris J.

1995-01-01

314

Few Fractional Order Derivatives and Their Computations  

ERIC Educational Resources Information Center

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…

Bhatta, D. D.

2007-01-01

315

Do You Trust Derivatives or Differences??  

E-print Network

central problem in computational science, most of the literature in this area is ... As we will see, answering these questions requires the development of tools for ... The derivative produced by the forward mode of automatic differentiation ... of the default derivative code that could be produced by a computational scientist.

2012-05-01

316

Understanding the Derivative through the Calculus Triangle  

ERIC Educational Resources Information Center

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…

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

2012-01-01

317

Design and synthesis of new vancomycin derivatives.  

PubMed

A set of vancomycin derivatives with lipid chain attached via a glyceric acid linker was designed and synthesized. A concise synthesis towards these derivatives was developed and the IC50s of these new lipoglycopeptides were tested. Some of them showed very potent activity against both vancomycin sensitive and resistant strains. PMID:24751442

Gu, Wen; Chen, Bei; Ge, Min

2014-05-15

318

On the stability of J?-derivations  

NASA Astrophysics Data System (ADS)

In this paper, we establish the stability and superstability of J?-derivations in J?-algebras for the generalized Jensen-type functional equation rf({x+y}/{r})+rf({x-y}/{r})=2f(x). Finally, we investigate the stability of J?-derivations by using the fixed point alternative.

Eshaghi Gordji, M.; Ghaemi, M. B.; Kaboli Gharetapeh, S.; Shams, S.; Ebadian, A.

2010-03-01

319

On the stability of J ? -derivations  

Microsoft Academic Search

In this paper, we establish the stability and superstability of J?-derivations in J?-algebras for the generalized Jensen–type functional equation rf(x+yr)+rf(x?yr)=2f(x). Finally, we investigate the stability of J?-derivations by using the fixed point alternative.

M. Eshaghi Gordji; M. B. Ghaemi; S. Kaboli Gharetapeh; S. Shams; A. Ebadian

2010-01-01

320

On the stability of J*-derivations  

Microsoft Academic Search

In this paper, we establish the stability and superstability of J*-derivations in J*-algebras for the generalized Jensen-type functional equation rf(x+yr)+rf(x-yr)=2f(x). Finally, we investigate the stability of J*-derivations by using the fixed point alternative.

M. Eshaghi Gordji; M. B. Ghaemi; S. Kaboli Gharetapeh; S. Shams; A. Ebadian

2010-01-01

321

Features of Derivative Continuity in Shape  

Microsoft Academic Search

Derivative continuity is a distributed invariant relationship between parts of flowing shapes. The original techniques presented here were developed for making the behavioral dynamics of complex processes more recognizable, but are equally applicable to assisting in the recognition of shapes in images. Regularizing a sequence using a constraint of derivative continuity is equivalent to using a bimodal smoothing kernel, producing

Philip F. Henshaw

1999-01-01

322

Genetic Optimization Using Derivatives Jasjeet S. Sekhon  

E-print Network

entirely on derivatives can be unreliable and often are virtually unusable. Newton-Raphson and quasi-Newton that combines evolutionary algorithm methods with a derivative-based, quasi-Newton method to solve difficult of GENOUD to that of the Gauss-Newton algorithm in SAS's PROC MODEL. #12;Introduction We report

Sekhon, Jasjeet S.

323

Derivation of Refraction Formulas Paul S. Heckbert  

E-print Network

Derivation of Refraction Formulas Paul S. Heckbert ABSTRACT We derive three alternative formulas for the refracted ray direction in ray tracing in order to prove their equivalence and to demonstrate the process refract when they strike an interface between two different transpar­ ent media, such as air­water, air

Treuille, Adrien

324

Derivational Morphology and Base Morpheme Frequency  

ERIC Educational Resources Information Center

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…

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

2010-01-01

325

The simplest derivation of the Lorentz transformation  

E-print Network

Starting from the well-known light-clock thought experiment to derive time dilation and length contraction, it is shown that finding the Lorentz Transformation requires nothing more than the most trivial vector addition formula. The form which is obtaine for the L.T. allows an easy derivation of the velocity and acceleration transformations which are also given.

J. -M. Levy

2006-06-12

326

High resolution derivative spectra in remote sensing  

NASA Technical Reports Server (NTRS)

The use of derivative spectra is an established technique in analytical chemistry for the elimination of background signals and for resolving overlapping spectral features. Application of this technique for tackling analogous problems such as interference from soil background reflectance in the remote sensing of vegetation or for resolving complex spectra of several target species within individual pixels in remote sensing is proposed. Methods for generating derivatives of high spectral resolution data are reviewed. Results of experiments to test the use of derivatives for monitoring chlorosis in vegetation show that derivative spectral indices are superior to conventional broad-band spectral indices such as the near-infrared/red reflectance ratio. Conventional broad-band indices are sensitive to both leaf cover as well as leaf color. New derivative spectral indices which were able to monitor chlorosis unambiguously were identified. Potential areas for the application of this technique in remote sensing are considered.

Demetriades-Shah, Tanvir H.; Steven, Michael D.; Clark, Jeremy A.

1990-01-01

327

17 CFR 200.507 - Declassification dates on derivative documents.  

Code of Federal Regulations, 2010 CFR

... 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...

2010-04-01

328

17 CFR 200.507 - Declassification dates on derivative documents.  

Code of Federal Regulations, 2013 CFR

... 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...

2013-04-01

329

17 CFR 200.507 - Declassification dates on derivative documents.  

Code of Federal Regulations, 2011 CFR

... 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...

2011-04-01

330

17 CFR 200.507 - Declassification dates on derivative documents.  

... 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...

2014-04-01

331

17 CFR 200.507 - Declassification dates on derivative documents.  

Code of Federal Regulations, 2012 CFR

... 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...

2012-04-01

332

Ring-Opening Metathesis Polymerization of Cyclooctene Derivatives with Chain Transfer Agents derived from Glycerol Carbonate  

E-print Network

derived from Glycerol Carbonate Abdou K. Diallo,a Liana Annunziata,a St�phane Fouquay,b Guillaume Michaud.1039/C3PY01639K #12;2 Abstract The synthesis of a variety of mono- and di-(glycerol carbonate) telechelic) of cyclooctene (COE) derivatives in the presence of a vinyl or acryloyl derivative of glycerol carbonate (GC

Boyer, Edmond

333

Risk management, derivatives and shariah compliance  

NASA Astrophysics Data System (ADS)

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.

Bacha, Obiyathulla Ismath

2013-04-01

334

Theory of Financial Risk and Derivative Pricing  

NASA Astrophysics Data System (ADS)

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

Bouchaud, Jean-Philippe; Potters, Marc

2004-02-01

335

An invariant derivation of flame stretch  

NASA Technical Reports Server (NTRS)

The flame stretch factor is derived using an invariant formulation in a consistent manner. The derived generalized expression has two terms and completely describes the flame area evolution with its movement. One term represents the stretch due to the nonuniform tangential velocity field and the other represents the effect of the curvature of the propagating flame. The effect of curvature for stationary flames is implicitly included in the former term through variations of the tangential velocity. The flame sheet assumption, and thereby the stretch factor, are uniquely defined. Another expression is derived under the assumption that the tangential velocity of the flame equals the tangential component of the fluid velocity.

Chung, S. H.; Law, C. K.

1984-01-01

336

Complex networks derived from cellular automata  

E-print Network

We propose a method for deriving networks from one-dimensional binary cellular automata. The derived networks are usually directed and have structural properties corresponding to the dynamical behaviors of their cellular automata. Network parameters, particularly the efficiency and the degree distribution, show that the dependence of efficiency on the grid size is characteristic and can be used to classify cellular automata and that derived networks exhibit various degree distributions. In particular, a class IV rule of Wolfram's classification produces a network having a scale-free distribution.

Yoshihiko Kayama

2010-09-23

337

45 CFR 601.5 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...Continued) NATIONAL SCIENCE FOUNDATION CLASSIFICATION...DECLASSIFICATION OF NATIONAL SECURITY INFORMATION § 601.5 Derivative...is the determination that information is in substance the same as information currently...

2010-10-01

338

32 CFR 2001.22 - Derivative classification.  

Code of Federal Regulations, 2010 CFR

...described in E.O. 12951, “Release of Imagery Acquired by Space-Based National Intelligence Reconnaissance Systems,” the derivative...as prescribed by the Director of National Intelligence. (4) When determining the most...

2010-07-01

339

32 CFR 2001.22 - Derivative classification.  

...described in E.O. 12951, “Release of Imagery Acquired by Space-Based National Intelligence Reconnaissance Systems,” the derivative...as prescribed by the Director of National Intelligence. (4) When determining the most...

2014-07-01

340

32 CFR 2001.22 - Derivative classification.  

Code of Federal Regulations, 2011 CFR

...described in E.O. 12951, “Release of Imagery Acquired by Space-Based National Intelligence Reconnaissance Systems,” the derivative...as prescribed by the Director of National Intelligence. (4) When determining the most...

2011-07-01

341

32 CFR 2001.22 - Derivative classification.  

Code of Federal Regulations, 2012 CFR

...described in E.O. 12951, “Release of Imagery Acquired by Space-Based National Intelligence Reconnaissance Systems,” the derivative...as prescribed by the Director of National Intelligence. (4) When determining the most...

2012-07-01

342

32 CFR 2001.22 - Derivative classification.  

Code of Federal Regulations, 2013 CFR

...described in E.O. 12951, “Release of Imagery Acquired by Space-Based National Intelligence Reconnaissance Systems,” the derivative...as prescribed by the Director of National Intelligence. (4) When determining the most...

2013-07-01

343

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...

344

Direct synthesis of pyridine and pyrimidine derivatives  

E-print Network

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 ...

Hill, Matthew D. (Matthew Dennis)

2008-01-01

345

Real estate derivatives : products and prospects  

E-print Network

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 ...

Eisenberg, Oriel

2013-01-01

346

Some nitroimidazole derivatives as possible antibacterial agents.  

PubMed

In this study, six 1-[2(benzazol-2-yl)thioethyl]-2-methyl-5- nitroimidazole derivatives were synthesized. Antibacterial activities of the compounds obtained were examined and it was found that they are effective against aerobe bacteria. PMID:8323675

Demirayak, S; Kiraz, N

1993-03-01

347

Three pyrone glucosidic derivatives from Conyza albida.  

PubMed

Three new pyrone glucosidic derivatives, together with the known pyromeconic acid glucoside, three acytelenes and two eudesmanes, were obtained from the aerial parts of Conyza albida. The structures were elucidated by high field NMR spectroscopy. PMID:12143010

Ahmed, Ahmed A; Mohamed, Abou El-Hamd; Tzakou, Olga; Gani, Anastasia; Yannitsaros, Artemios; El-Maghraby, Mohamed A; Hassan, Mohamed E; Zeller, Klaus-Peter

2002-07-01

348

Tri and tetrahydroxycoumarin derivatives from Tetraphis pellucida  

Microsoft Academic Search

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

Marion Jung; Hans Geiger; Hans Dietmar Zinsmeister

1995-01-01

349

Choctaw Suppletive Verbs and Derivational Morphology  

E-print Network

etymological root. Full presentation of these alternations touches on almost all aspects of Choctaw derivational verbal morphology, and also leads to several internal reconstructions of pre-Choctaw lexical and phonological structure bearing on comparative...

Heath, Jeffrey

1980-01-01

350

A Note on Lie-Lorentz Derivatives  

E-print Network

The definition of ``Lie derivative'' of spinors with respect to Killing vectors is extended to all kinds of Lorentz tensors. This Lie-Lorentz derivative appears naturally in the commutator of two supersymmetry transformations generated by Killing spinors and vanishes for Vielbeins. It can be identified as the generator of the action of isometries on supergravity fields and its use for the calculation of supersymmetry algebras is revised and extended.

Tomas Ortin

2002-06-18

351

Endplate channel block by guanidine derivatives  

Microsoft Academic Search

The effects of the n-alkyl derivatives of guanidine on the frog neuromuscular junction were studied using the two-microelectrode voltage clamp and other eleetrophysiological techniques. Methyl-, ethyl-, and propyl- guanidine stimulated the nerve-evoked release of transmitter. However, amyl- and octylguanidine had no apparent presynaptic action. All of the derivatives blocked the postsynaptic response to acetylcholine, the potency sequence being octyl- >

JERRY M. FARLEY; JAY Z. YEH; SHIGENORI WATANABE; TOSHIO NARAHASHI

1981-01-01

352

Chelate derivatives as protectors against tissue injury  

US Patent & Trademark Office Database

Derivatives useful in the protection of living organisms against damage due to free radical reactions derived from methoxypolyethylene glycols (MPEG), which are modified by chemically attaching chelating groups in an amide or amine linkage to the nonmethyl end of the polymer. Such chelating groups include ethylene-diamine tetraacetic acid (EDTA), diethylene triamine pentaacetic acid (DTPA), and ethylene glycol aminoethyl ether tetraacetic acid (EGTA), and pharmacologically acceptable salts or esters thereof.

2000-02-01

353

Analytical Derivatives for Markov Switching Models  

Microsoft Academic Search

This paper derives analytical gradients for a broad class of regime-switching models with Markovian state-transition probabilities. Such models are usually estimated by maximum likelihood methods, which require the derivatives of the likelihood function with respect to the parameter vector. These gradients are usually calculated by means of numerical techniques. The paper shows that analytical gradients considerably speed up maximum-likelihood estimation

Jeff Gable; Simon van Norden; Robert John Vigfusson

1998-01-01

354

Dependency Structures Derived from Minimalist Grammars  

NASA Astrophysics Data System (ADS)

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.

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

355

Functional Determinants in Higher Derivative Lagrangian Theories  

E-print Network

Motivated by the considerable success of alternative theories of gravity, we consider the toy model of a higher derivative Lagrangian theory, namely the Pais-Uhlenbeck oscillator studied in a recent paper by Hawking-Hertog. Its Euclidean Path Integral is studied with a certain detail and a pedagogical derivation of the propagator, which makes use of a Theorem due to Forman, is consequently proposed

Roberto Di Criscienzo; Sergio Zerbini

2009-07-24

356

Preferential maternal derivation in inv dup(15)  

Microsoft Academic Search

Eight patients are reported with a de nov extra inverted duplicated chromosome 15. The abnormal chromosome was considered to be the same in all cases, but its precise delineation remained uncertain and was defined as either 15qter?15q12::15q12?15pter or 15pter?15q11::15q13?15pter. Analysis with various techniques of the satellite regions of the bisatellited chromosomes demonstrated maternal derivation in six and paternal derivation in

Paola Maraschio; Orsetta Zuffardi; Franca Bernardi; M. Bozzola; C. De Paoli; Christa Fonatsch; Sibylle D. Flatz; Loretta Ghersini; G. Gimelli; M. Loi; Renata Lorini; Diletta Peretti; Lisa Poloni; Daniela Tonetti; Roberta Vanni; G. Zamboni

1981-01-01

357

Phytol derivatives as drug resistance reversal agents.  

PubMed

Phytol was chemically transformed into fifteen semi-synthetic derivatives, which were evaluated for their antibacterial and drug resistance reversal potential in combination with nalidixic acid against E.?coli strains CA8000 and DH5?. The pivaloyl (4), 3,4,5-trimethoxybenzoyl (9), 2,3-dichlorobenzoyl (10), cinnamoyl (11), and aldehyde (14) derivatives of phytol ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol) were evaluated by using another antibiotic, tetracycline, against the MDREC-KG4 clinical isolate of E.?coli. Derivative 4 decreased the maximal inhibitory concentration (MIC) of the antibiotics by 16-fold, while derivatives 9, 10, 11, and 14 reduced MIC values of the antibiotics up to eightfold against the E.?coli strains. Derivatives 4, 9, 10, 11, and 14 inhibited the ATP-dependent efflux pump; this was also supported by their in silico binding affinity and down-regulation of the efflux pump gene yojI, which encodes the multidrug ATP-binding cassette transporter protein. This study supports the possible use of phytol derivatives in the development of cost-effective antibacterial combinations. PMID:24891085

Upadhyay, Harish C; Dwivedi, Gaurav R; Roy, Sudeep; Sharma, Ashok; Darokar, Mahendra P; Srivastava, Santosh K

2014-08-01

358

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

NASA Technical Reports Server (NTRS)

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

King, H. F.; Komornicki, A.

1986-01-01

359

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

Microsoft Academic Search

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.

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

1993-01-01

360

Numerical derivative techniques for trajectory optimization  

NASA Technical Reports Server (NTRS)

The adoption of robust numerical optimization techniques in trajectory simulation programs has resulted in powerful design and analysis tools. These trajectory simulation/optimization programs are widely used, and a representative list includes the GTS system, the POST program, and newer collocation methods such as OTIS and FONPAC. All of these programs rely on optimization algorithms which require objective function and constraint gradient data during the iteration process. However, most trajectory optimization problems lack simple analytical expressions for these derivatives. In the general case a function evaluation involves integrating aerodynamic, propulsive, and gravity forces over multiple trajectory phases with complex control models. With the newer collocation methods, the integration is replaced by defect constraints and cubic approximations for the state. While analytic gradient expressions can sometimes be derived for trajectory optimization problems, the derivation is cumbersome, time consuming, and prone to mistakes. Fortunately, an alternate method exists for the gradient evaluation, namely finite difference approximations. In this paper some finite difference gradient techniques developed for use with the GTS system are presented. These techniques include methods for computing first and second partial derivatives of single and multiple sets of functions. A key feature of these methods is an error control mechanism which automatically adjusts the perturbation size to obtain accurate derivative values.

Hallman, Wayne P.

1990-01-01

361

Synthesis of atropisomeric 1-phenylpyrrole-derived amino alcohols: new chiral ligands.  

PubMed

An efficient synthetic method has been developed for the preparation of a new family of atropisomeric amino alcohols with 1-phenylpyrrole backbone. The synthesis is based on the different reactivities of the two carboxylic groups in optically active 1-[2-carboxy-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylic acid (1). The chemical structures of the key intermediates were confirmed by spectroscopic methods and single crystal X-ray diffraction measurements. The very first application of a new optically active amino alcohol as catalyst for the enantioselective addition of diethylzinc to benzaldehyde demonstrated the practical usefulness of atropisomeric compounds in which there are six-atom chains between the two functional groups. PMID:22573396

Faigl, Ferenc; Mátravölgyi, Béla; Szöll?sy, Áron; Czugler, Mátyás; Tárkányi, Gábor; Vékey, Károly; Kubinyi, Miklós

2012-07-01

362

Gateaux and Frechet Derivative in Intuitionistic Fuzzy Normed Linear spaces  

E-print Network

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.

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

2010-09-11

363

Hadamard-like derivatives in Preisach modeling and control  

Microsoft Academic Search

We define a concept of derivatives of the relative boundary of the active set, on the Preisach plane, with respect to the time variable, under a time-varying input of the piecewise monotone type. These derivatives are related to the set-valued derivatives previously introduced by these authors. This concept of derivatives, which is akin to the derivatives introduced by Hadamard in

S. A. Belbas; I. D. Mayergoyz

2006-01-01

364

A Derivation of Modified Newtonian Dynamics  

NASA Astrophysics Data System (ADS)

Modified Newtonian Dynamics (MOND) is a possible solution for the missing mass problem in galactic dynamics; its predictions are in good agreement with observations in the limit of weak accelerations. However, MOND does not derive from a physical mechanism and does not make predictions on the transitional regime from Newtonian to modified dynamics; rather, empirical transition functions have to be constructed from the boundary conditions and comparisons with observations. I compare the formalism of classical MOND to the scaling law derived from a toy model of gravity based on virtual massive gravitons (the ``graviton picture'') which I proposed recently. I conclude that MOND naturally derives from the ``graviton picture'' at least for the case of non-relativistic, highly symmetric dynamical systems. This suggests that -- to first order -- the ``graviton picture'' indeed provides a valid candidate for the physical mechanism behind MOND and gravity on galactic scales in general.

Trippe, Sascha

2013-04-01

365

Dielectric transition of polyacrylonitrile derived carbon nanofibers  

NASA Astrophysics Data System (ADS)

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.

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

2014-09-01

366

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

E-print Network

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

Shapiro, Bruce E.

367

High ethanol producing derivatives of Thermoanaerobacter ethanolicus  

DOEpatents

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).

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

1983-05-24

368

Effects of guanidine derivatives on mitochondrial function  

PubMed Central

Long chain free fatty acids interfere with the inhibitory action of phenethylbiguanide and related compounds on mitochondrial respiration in vitro. This interference depends on binding of fatty acids to mitochondria and diminishes with decreasing chain length. Reversal of guanidine-derivative inhibition by fatty acids differs from that caused by dinitrophenol in that the effect of fatty acid is achieved without alteration in coupling or respiratory control. The binding of phenethylbiguanide to mitochondria is inhibited by both fatty acid and dinitrophenol. Serum albumin potentiates the inhibitory potency of guanidine derivatives, probably by removing endogenous mitochondrial free fatty acids. PMID:5676528

Davidoff, Frank

1968-01-01

369

Cyclodextrin derivatives as anti-infectives  

PubMed Central

Cyclodextrin derivatives can be utilized as anti-infectives with pore-forming proteins as the targets. The highly efficient selection of potent inhibitors was achieved because per-substituted cyclodextrins have the same symmetry as the target pores. Inhibitors of several bacterial toxins produced by B. anthracis, S. aureus, C. perfringens, C. botulinum and C. difficile were identified from a library of ~200 CD derivatives. It was demonstrated that multi-targeted inhibitors can be found using this approach and could be utilized for the development of broad-spectrum drugs against various pathogens. PMID:24011515

Karginov, Vladimir A.

2013-01-01

370

62 FR 6044 - Disclosure of Accounting Policies for Derivative Financial Instruments and Derivative Commodity...  

Federal Register 2010, 2011, 2012, 2013

...17 CFR Part 210, et al. Disclosure of Accounting Policies for Derivative...Derivative Commodity Instruments and Disclosure of Quantitative and Qualitative Information...S7-35-95] RIN 3235-AG42, 3235-AG77 Disclosure of Accounting Policies for...

1997-02-10

371

A Discrete Linear Adaptive Controller with a Linear Quadratic Regulator Derived Proportional Derivative Controller  

Microsoft Academic Search

Recently, a linear adaptive control strategy based on Discrete Disturbance Accommodating Control theory (DAC) has appeared in the literature. This approach permits an entirely linear controller with constant parameters. The adaptive DAC approach is combined with a Linear-Quadratic Regulator (LQR) derived Proportional-Derivative (PD) controller for setpoint control of a simulated Thermal Control System on board the Space Station Freedom (SSF).

Steve Rogers; Haik Biglari

1992-01-01

372

Nonlinear Frechet derivative and its De Wolf approximation  

E-print Network

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 ...

Wu, Ru-Shan

2012-01-01

373

21 CFR 172.275 - Synthetic paraffin and succinic derivatives.  

Code of Federal Regulations, 2013 CFR

...false Synthetic paraffin and succinic derivatives. 172.275 Section 172.275 Food...275 Synthetic paraffin and succinic derivatives. Synthetic paraffin and succinic derivatives identified in this section may be...

2013-04-01

374

14 CFR 1203.501 - Applying derivative classification markings.  

Code of Federal Regulations, 2011 CFR

...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...

2011-01-01

375

17 CFR 240.16a-4 - Derivative securities.  

Code of Federal Regulations, 2011 CFR

...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...

2011-04-01

376

40 CFR 721.9079 - Dihydro quinacridone derivative (generic).  

Code of Federal Regulations, 2010 CFR

...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...

2010-07-01

377

14 CFR 1203.501 - Applying derivative classification markings.  

...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...

2014-01-01

378

40 CFR 721.10368 - Triphenodioxazine derivatives (generic).  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

379

40 CFR 721.2025 - Substituted phenylimino carbamate derivative.  

Code of Federal Regulations, 2010 CFR

... 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...

2010-07-01

380

40 CFR 721.646 - Aminofluoran derivative (generic name).  

Code of Federal Regulations, 2010 CFR

...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...

2010-07-01

381

21 CFR 172.275 - Synthetic paraffin and succinic derivatives.  

...false Synthetic paraffin and succinic derivatives. 172.275 Section 172.275 Food...275 Synthetic paraffin and succinic derivatives. Synthetic paraffin and succinic derivatives identified in this section may be...

2014-04-01

382

17 CFR 229.1115 - (Item 1115) Certain derivatives instruments.  

Code of Federal Regulations, 2010 CFR

...2010-04-01 false (Item 1115) Certain derivatives instruments. 229.1115 Section 229... § 229.1115 (Item 1115) Certain derivatives instruments. This item relates to derivative instruments, such as interest...

2010-04-01

383

40 CFR 721.10172 - Alkylamide derivative (generic).  

Code of Federal Regulations, 2011 CFR

... 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...

2011-07-01

384

40 CFR 721.1760 - Substituted benzotriazole derivatives.  

Code of Federal Regulations, 2013 CFR

... 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...

2013-07-01

385

14 CFR 1203.500 - Use of derivative classification.  

...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)...

2014-01-01

386

40 CFR 721.1760 - Substituted benzotriazole derivatives.  

Code of Federal Regulations, 2012 CFR

... 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...

2012-07-01

387

40 CFR 721.10330 - Pyrazolone derivative (generic).  

Code of Federal Regulations, 2012 CFR

... 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...

2012-07-01

388

40 CFR 721.10172 - Alkylamide derivative (generic).  

Code of Federal Regulations, 2010 CFR

... 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...

2010-07-01

389

17 CFR 229.1115 - (Item 1115) Certain derivatives instruments.  

Code of Federal Regulations, 2012 CFR

...2012-04-01 false (Item 1115) Certain derivatives instruments. 229.1115 Section 229... § 229.1115 (Item 1115) Certain derivatives instruments. This item relates to derivative instruments, such as interest...

2012-04-01

390

76 FR 43957 - Modifications of Certain Derivative Contracts  

Federal Register 2010, 2011, 2012, 2013

...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...

2011-07-22

391

78 FR 66639 - Modifications of Certain Derivative Contracts  

Federal Register 2010, 2011, 2012, 2013

...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...

2013-11-06

392

40 CFR 721.646 - Aminofluoran derivative (generic name).  

Code of Federal Regulations, 2011 CFR

...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...

2011-07-01

393

40 CFR 721.10172 - Alkylamide derivative (generic).  

Code of Federal Regulations, 2012 CFR

... 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...

2012-07-01

394

18 CFR 367.2440 - Account 244, Derivative instrument liabilities.  

Code of Federal Regulations, 2012 CFR

...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...

2012-04-01

395

14 CFR 1203.500 - Use of derivative classification.  

Code of Federal Regulations, 2013 CFR

...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...

2013-01-01

396

40 CFR 721.9079 - Dihydro quinacridone derivative (generic).  

Code of Federal Regulations, 2011 CFR

...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...

2011-07-01

397

40 CFR 721.10330 - Pyrazolone derivative (generic).  

Code of Federal Regulations, 2013 CFR

... 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...

2013-07-01

398

40 CFR 721.10317 - Alkyl phosphate derivative (generic).  

Code of Federal Regulations, 2012 CFR

...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...

2012-07-01

399

40 CFR 721.9079 - Dihydro quinacridone derivative (generic).  

Code of Federal Regulations, 2012 CFR

...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...

2012-07-01

400

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

Code of Federal Regulations, 2012 CFR

... 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...

2012-07-01

401

18 CFR 367.1750 - Account 175, Derivative instrument assets.  

Code of Federal Regulations, 2013 CFR

...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...

2013-04-01

402

40 CFR 721.2025 - Substituted phenylimino carbamate derivative.  

Code of Federal Regulations, 2011 CFR

... 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...

2011-07-01

403

40 CFR 721.646 - Aminofluoran derivative (generic name).  

Code of Federal Regulations, 2012 CFR

...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...

2012-07-01

404

18 CFR 367.2440 - Account 244, Derivative instrument liabilities.  

Code of Federal Regulations, 2011 CFR

...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...

2011-04-01

405

14 CFR 1203.501 - Applying derivative classification markings.  

Code of Federal Regulations, 2010 CFR

...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...

2010-01-01

406

18 CFR 367.1750 - Account 175, Derivative instrument assets.  

...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...

2014-04-01

407

40 CFR 721.1760 - Substituted benzotriazole derivatives.  

Code of Federal Regulations, 2010 CFR

... 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...

2010-07-01

408

14 CFR 1203.501 - Applying derivative classification markings.  

Code of Federal Regulations, 2013 CFR

...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...

2013-01-01

409

40 CFR 721.1760 - Substituted benzotriazole derivatives.  

Code of Federal Regulations, 2011 CFR

... 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...

2011-07-01

410

40 CFR 721.9079 - Dihydro quinacridone derivative (generic).  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

411

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

Code of Federal Regulations, 2013 CFR

... 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...

2013-07-01

412

18 CFR 367.2440 - Account 244, Derivative instrument liabilities.  

Code of Federal Regulations, 2013 CFR

...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...

2013-04-01

413

17 CFR 240.16a-4 - Derivative securities.  

Code of Federal Regulations, 2012 CFR

...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...

2012-04-01

414

14 CFR 1203.501 - Applying derivative classification markings.  

Code of Federal Regulations, 2012 CFR

...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...

2012-01-01

415

17 CFR 229.1115 - (Item 1115) Certain derivatives instruments.  

Code of Federal Regulations, 2013 CFR

...2013-04-01 false (Item 1115) Certain derivatives instruments. 229.1115 Section 229... § 229.1115 (Item 1115) Certain derivatives instruments. This item relates to derivative instruments, such as interest...

2013-04-01

416

17 CFR 240.16a-4 - Derivative securities.  

Code of Federal Regulations, 2010 CFR

...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...

2010-04-01

417

40 CFR 721.10368 - Triphenodioxazine derivatives (generic).  

Code of Federal Regulations, 2012 CFR

...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...

2012-07-01

418

40 CFR 721.2025 - Substituted phenylimino carbamate derivative.  

Code of Federal Regulations, 2012 CFR

... 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...

2012-07-01

419

18 CFR 367.1750 - Account 175, Derivative instrument assets.  

Code of Federal Regulations, 2011 CFR

...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...

2011-04-01

420

17 CFR 229.1115 - (Item 1115) Certain derivatives instruments.  

...2014-04-01 false (Item 1115) Certain derivatives instruments. 229.1115 Section 229... § 229.1115 (Item 1115) Certain derivatives instruments. This item relates to derivative instruments, such as interest...

2014-04-01

421

40 CFR 721.646 - Aminofluoran derivative (generic name).  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

422

76 FR 51878 - Modifications of Certain Derivative Contracts; Correction  

Federal Register 2010, 2011, 2012, 2013

...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...

2011-08-19

423

18 CFR 367.2440 - Account 244, Derivative instrument liabilities.  

Code of Federal Regulations, 2010 CFR

...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...

2010-04-01

424

40 CFR 721.10172 - Alkylamide derivative (generic).  

Code of Federal Regulations, 2013 CFR

... 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...

2013-07-01

425

14 CFR 1203.500 - Use of derivative classification.  

Code of Federal Regulations, 2010 CFR

...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...

2010-01-01

426

40 CFR 721.10324 - Thionocarbamate derivative (generic).  

Code of Federal Regulations, 2013 CFR

...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...

2013-07-01

427

14 CFR 1203.500 - Use of derivative classification.  

Code of Federal Regulations, 2012 CFR

...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...

2012-01-01

428

76 FR 51878 - Modifications of Certain Derivative Contracts; Correction  

Federal Register 2010, 2011, 2012, 2013

...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...

2011-08-19

429

14 CFR 1203.500 - Use of derivative classification.  

Code of Federal Regulations, 2011 CFR

...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...

2011-01-01

430

17 CFR 229.1115 - (Item 1115) Certain derivatives instruments.  

Code of Federal Regulations, 2011 CFR

...2011-04-01 false (Item 1115) Certain derivatives instruments. 229.1115 Section 229... § 229.1115 (Item 1115) Certain derivatives instruments. This item relates to derivative instruments, such as interest...

2011-04-01

431

40 CFR 721.2025 - Substituted phenylimino carbamate derivative.  

Code of Federal Regulations, 2013 CFR

... 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...

2013-07-01

432

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

Code of Federal Regulations, 2010 CFR

...2010-07-01 2010-07-01 false Bis heterocyclic phenylene derivative (generic...Chemical Substances § 721.5925 Bis heterocyclic phenylene derivative (generic...substance identified generically as bis heterocyclic phenylene derivative (PMN...

2010-07-01

433

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

Code of Federal Regulations, 2011 CFR

...2011-07-01 2011-07-01 false Bis heterocyclic phenylene derivative (generic...Chemical Substances § 721.5925 Bis heterocyclic phenylene derivative (generic...substance identified generically as bis heterocyclic phenylene derivative (PMN...

2011-07-01

434

Barriers to growth in the US real estate derivatives market  

E-print Network

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. ...

Venter, Jani

2007-01-01

435

CYTOPATHOLOGY Computer-Derived Nuclear Features Compared  

E-print Network

Foundation Grant CCR-9322479. of the initial treatment of most breast carcinomas. Many medical and personal 1997 American Cancer Society #12;Breast Carcinoma Prognosis by Computer/Wolberg et al. 173 TABLE 1172 CANCER CYTOPATHOLOGY Computer-Derived Nuclear Features Compared with Axillary Lymph Node Status

Street, Nick

436

Derived Transformation of Children's Pregambling Game Playing  

ERIC Educational Resources Information Center

Contemporary behavior-analytic perspectives on gambling emphasize the impact of verbal relations, or derived relational responding and the transformation of stimulus functions, on the initiation and maintenance of gambling. Approached in this way, it is possible to undertake experimental analysis of the role of verbal/mediational variables in…

Dymond, Simon; Bateman, Helena; Dixon, Mark R.

2010-01-01

437

Ecosystem Services Derived from Headwater Catchments  

EPA Science Inventory

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

438

Meteorological Products Derived from MSG Imagery  

E-print Network

Meteorological Products Derived from MSG Imagery MPEF and SAFs #12;Slide 2 SEVIRI Instrument June 2005 #12;Slide 3 The MSG MPEF: Meteorological Products Extraction Facility MPEF is part of the Meteorological Products provided by the MSG system The list of products to be extracted from the MSG imagery has

Kuligowski, Bob

439

High speed point derivative microseismic detector  

DOEpatents

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.

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

1998-01-01

440

High speed point derivative microseismic detector  

DOEpatents

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.

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

1998-06-30

441

Resorcinol-formaldehyde-derived carbon aerogel films  

Microsoft Academic Search

Carbon aerogels derived from organic sol-gel process and supercritical drying are novel porous materials with interconnect structures and higher electrical conductivity, which are considered to be ideal electrode materials for supercapacitors and rechargeable batteries. The objective of the research was to synthesize carbon aerogel films at ambient conditions. Resorcinol formaldehyde (RF) and carbon aerogel films have been produced with extremely

Jun Shen; Jue Wang; Yanzhi Guo; S. M. Attia; Bin Zhou

2000-01-01

442

Edge Localization by Second Derivative Filters  

E-print Network

of curvature while the linear Laplace filter produces a shift in the opposite direction. Their sum called PLUSD), the Gaussian filter with variable cutoff point (DD), and Tepee filters or a-fold pillball41 Chapter 3 Edge Localization by Second Derivative Filters In our research we study the location

van Vliet, Lucas J.

443

Computing Airplane Stopping Distance: Applications of Derivatives.  

ERIC Educational Resources Information Center

Presents two real world applications that use derivatives and are related to computing the distance required to stop an airplane. Examines the curve-fitting techniques used to develop an equation for braking force and develops equations for the deceleration and speed. (DDR)

Tylee, J. Louis

1997-01-01

444

Imaging derivative spectroscopy for vegetation dysfunction assessments  

Microsoft Academic Search

The practical application of current airborne and future satellite or space station based high spectral resolution (hyperspectral) imagery to vegetative canopies (sparse or dense) and resulting derived bio-physical variables will depend upon our ability to rapidly apply scientifically based algorithms. Key to these rapid assessments is the selection of the best or optimal channels or bands for detection of plant

Charles R. Bostater

1998-01-01

445

Why Is There Money? Endogenous Derivation of \\  

Microsoft Academic Search

The monetary character of trade, the existence of a common medium of exchange, is derived as an outcome of the economic general equilibrium in a class of examples. Two constructs are added to an Arrow-Debreu general equilibrium model: market segmentation with multiple budget constraints (one at each transaction) and transaction costs. The multiplicity of budget constraints creates a demand for

Ross M. Starr

2001-01-01

446

Three new bibenzyl derivatives from Dendrobium nobile  

Microsoft Academic Search

Three new bibenzyl derivatives have been isolated from the stems of Dendrobium nobile Lindl. (Orchidaceae). Their structures were established as 4,5-dihydroxy-3,3?,?-trimethoxybibenzyl (1), 4,4?-dihydroxy-3,3?,5,?-tetramethoxybibenzyl (2) and 4-hydroxy-3,3?,4?,5,?-pentamethoxybibenzyl (3) on the basis of spectroscopic analysis.

Xue Zhang; Hao Gao; Nai-Li Wang; Xin-Sheng Yao

2006-01-01

447

Biofuels and bio-products derived from  

E-print Network

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

Ginzel, Matthew

448

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...

449

Infrared analysis of peptide succinimide derivatives.  

PubMed

In order to establish parameters to identify imide derivatives formed during in vitro aging of aspartyl-alanyl-containing proteins, a dipeptide and a tetrapeptide containing this sequence were acidified and heated in vacuo. The formation of succinimide derivatives could be confirmed by FTIR and Raman spectroscopy. Hereto, earlier assignments of succinimide vibrations had to be revised. FTIR absorbance spectra of the succinimide, derived from H-Asp-Ala-OH, in the solid state give five bands between 1700 and 1800 cm-1. In this case, owing to Fermi resonance, the anti-symmetric imide carbonyl stretching vibration gives rise to an apparent doublet, centered around 1715 cm-1. The symmetric stretching mode is found at 1793 cm-1. The other bands are assigned to carboxylic acid stretching modes (1728 cm-1; COOH dimer and 1751 cm-1: COOH monomer). Fermi resonance does not occur in succinimide derivatives occurring in larger peptides. As a consequence, the imide bands of the succinimide, generated from H-Val-Asp-Ala-Gly-OH, are observed at 1716 and 1791 cm-1 (anti-symmetric and symmetric stretching modes, respectively). PMID:8307688

Pistorius, A M; Groenen, P J; De Grip, W J

1993-12-01

450

Deriving Production Rules for Incremental View Maintenance  

Microsoft Academic Search

. It is widely recognized that production rules indatabase systems can be used to automatically maintain deriveddata such as views. However, writing a correct set ofrules for efficiently maintaining a given view can be a difficultand ad-hoc process. We provide a facility whereby a userdefines a view as an SQL select expression, from which thesystem automatically derives set-oriented production rulesthat

Stefano Ceri; Jennifer Widom

1991-01-01

451

Derivatives and the Graphs of Functions Microworld  

NSDL National Science Digital Library

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

White, James

2004-11-01

452

78 FR 76787 - Position Limits for Derivatives  

Federal Register 2010, 2011, 2012, 2013

...FUTURES TRADING COMMISSION 17 CFR Parts 1, 15, 17, 19, 32, 37, 38, 140 and 150 RIN 3038-AD99 Position Limits for Derivatives Correction In proposed rule document 2013-27200 appearing on pages 75679 through 75842 in the issue of Thursday,...

2013-12-19

453

Regular-expression derivatives reexamined SCOTT OWENS  

E-print Network

Regular-expression derivatives reexamined SCOTT OWENS University of Cambridge Scott, c, etc., to represent symbols and u, v, w to represent strings. The empty string is denoted operations (Rabin & Scott, 1959)), we refer to them as regular expressions. Adding boolean operations

Strickland, Stevie

454

A Short History of Derivative Security Markets  

Microsoft Academic Search

Contracts for future delivery of commodities spread from Mesopotamia to Hellenistic Egypt and the Roman world. After the collapse of the Roman Empire, contracts for future delivery continued to be used in the Byzantine Empire in the eastern Mediterranean and they survived in canon law in western Europe. It is likely that Sephardic Jews carried derivative trading from Mesopotamia to

Ernst Juerg Weber

2008-01-01

455

Derivation of the Ideal Gas Law  

ERIC Educational Resources Information Center

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…

Laugier, Alexander; Garai, Jozsef

2007-01-01

456

Curcumin derivatives as HIV-1 protease inhibitors  

SciTech Connect

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.

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

1993-12-31

457

Paper Chromatography of Nicotinic Acid Derivatives  

Microsoft Academic Search

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

E. Kodicek; K. K. Reddi

1951-01-01

458

Four new hemiterpenoid derivatives from Taxillus chinensis.  

PubMed

Four new hemiterpenoid derivatives, taxilluside A-D (1-4), were isolated from the branches and leaves of Taxillus chinensis (DC.) Danser. Their structures were determined on the basis of spectroscopic analysis. Of these compounds, compounds 3 and 4 showed inhibition activity on Calcium concentration in myocardial cells evaluated by measuring the changes of fluorescence signal using Laser scanning confocal microscope. PMID:23376411

Ding, Bo; Dai, Yi; Hou, Yun-Long; Wu, Xiao-Meng; Chen, Xue; Yao, Xin-Sheng

2013-04-01

459

Alternative derivation of electromagnetic cloaks and concentrators  

Microsoft Academic Search

Beginning with a straightforward formulation of electromagnetic 'cloaking' that reduces to a boundary value problem involving a single Maxwell first-order differential equation, explicit formulae for the relative permittivity permeability dyadic and fields of spherical and circular cylindrical annular cloaks are derived in terms of general compressed radial coordinate functions. The general formulation is based on the requirements that the cloaking

A. D. Yaghjian; Stefano Maci

2008-01-01

460

A Shuttle Derived Vehicle launch system  

Microsoft Academic Search

This paper describes a Shuttle Derived Vehicle (SDV) launch system presently being studied for the NASA by Martin Marietta Aerospace which capitalizes on existing Shuttle hardware elements to provide increased accommodations for payload weight, payload volume, or both. The SDV configuration utilizes the existing solid rocket boosters, external tank and the Space Shuttle main engines but replaces the manned orbiter

J. R. Tewell; D. N. Buell; E. S. Ewing

1982-01-01

461

DERIVATIONS AND PROJECTIONS ON JORDAN TRIPLES  

E-print Network

DERIVATIONS AND PROJECTIONS ON JORDAN TRIPLES Introduction to non-associative algebra, continuous and differential equations. #12;Pascual Jordan (1902­1980) Pascual Jordan was a German theoretical and mathematical in the Department of Mathematics at the Massachusetts Institute of Technology. He is noted for his work with Michael

Russo, Bernard

462

Mathematical Relationships Derived from Biodiesel Fuels  

Microsoft Academic Search

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

A. Demirbas

2007-01-01

463

Leading Edge Democracy Derived? New Trajectories  

E-print Network

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

464

Deriving a Pedagogy of Educational Foundations  

ERIC Educational Resources Information Center

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…

Fenstermacher, Gary D.

2007-01-01

465

High Resolution Sea Surface Temperature Field Derived.  

National Technical Information Service (NTIS)

A procedure for deriving high resolution sea surface temperature field from digital AVHRR/HRPT data is described. For the purpose of reducing the processing time, only the reflective threshold or near infrared channel is used for selecting data over clear...

S. Zhou, W. Chen, L. Zhang

1986-01-01

466

Spirocyclic acylphloroglucinol derivatives from Hypericum pyramidatum.  

PubMed

Five spirocyclic acylphloroglucinol derivatives (1-5) have been isolated from a hexanes extract of the leaves of Hypericum pyramidatum. Pyramidatones A-D (1-3, 5) are new, and chipericumin C (4) has been previously reported. The acylphloroglucinols were characterized based on spectroscopic (NMR, IR, UV-VIS) and mass spectrometric data. PMID:25230504

Force, Rebecca; Chen, Shui Ling; Fortier, Emily; Rowlands, Emily; Heneks, Jean; Rovnyak, David; Henry, Geneive E

2014-07-01

467

Two-point derivative dispersion relations  

NASA Astrophysics Data System (ADS)

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.

Ferreira, Erasmo; Sesma, Javier

2013-03-01

468

The Reduction Method for Valuing Derivative Securities  

Microsoft Academic Search

It is well known that derivative security valuation often reduces to solving a certain linear partial differential equation with variable coefficients. Wederive a complicated expression which the three coefficients must satisfy in order that this PDE can be transformed into the heat equation. We also present a technique for constructing a triplet of coefficients which solve this expression. We thereby

Peter Carr; Alex Lipton; Dilip Madan

2000-01-01

469

Wave function derivation of the JIMWLK equation  

E-print Network

Using the stationary lightcone perturbation theory, we propose the complete and careful derivation the JIMWLK equation. We show that the rigorous treatment requires the knowledge of a boosted wave function with second order accuracy. Previous wave function approaches are incomplete and implicitly used the time ordered perturbation theory, which requires a usage of an external target field.

Alexey V. Popov

2008-06-19

470

Derivative luminescence spectra in lanthanide analysis  

SciTech Connect

This communication presents the results of derivative spectroscopic study of luminescence of complex compounds of europium and terbium. Solutions of complexes of europium with ethylenediaminetetraacetate, thenoyltrifluoroacetone, dibenzoylmethane, salicylate and 1,10-phenanthroline, and of terbium with phenyl ester of salicyclic acid and nalidixic acid were investigated.

Bel'tyukova, S.V.; Poluektov, N.S.; Tochidlovskaya, T.L.; Kucher, A.A.

1987-06-01

471

Entropy theory for derivation of infiltration equations  

NASA Astrophysics Data System (ADS)

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

Singh, Vijay P.

2010-03-01

472

Thiol and Thioacetate Derivatives of ?-Cadinene  

Microsoft Academic Search

Photochemical thioacetylation of (s?)- i -cadinene 1 afforded 5-acetylthio-cadinene 1a which was further reduced into 5-mercapto-cadinene 1b in good yield (80%). Thioepoxydation of trans -1,10-cadinene oxide 1c , prepared from m -CPBA oxidation of 1 , was also investigated. Structural determination of these derivatives was achieved by one- and two dimensional NMR spectroscopy.

Karine Candela; Roland Fellous; Daniel Joulain; Robert Faure

2002-01-01

473

Synthesis of hydroxy derivatives of limonene  

NASA Astrophysics Data System (ADS)

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

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

2014-04-01

474

Approximate methods for derivation of covariance data  

SciTech Connect

Several approaches for the derivation of covariance information for evaluated nuclear data files (EFF2 and ENDF/B-VI) have been developed and used at IRK and ORNL respectively. Considerations, governing the choice of a distinct method depending on the quantity and quality of available data are presented, advantages/disadvantages are discussed and examples of results are given.

Tagesen, S. [Vienna Univ. (Austria). Inst. fuer Radiumforschung und Kernphysik; Larson, D.C. [Oak Ridge National Lab., TN (United States)

1992-12-31

475

Simple Derivation of the Lindblad Equation  

ERIC Educational Resources Information Center

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…

Pearle, Philip

2012-01-01

476

Two Structures for Compositionally Derived Events  

Microsoft Academic Search

This paper addresses the phenomenon of event composition: the derivation of asingle event description expressed in one clause from two lexical heads which couldhave been used in the description of independent events, each expressed in a distinctclause. In English, this phenomenon is well attested with respect to sentences whoseverb is found in combination with an XP describing a result not

Beth Levin; Malka Rappaport Hovav

1999-01-01

477

Olfactory receptors on the maxillary palps of small ermine moth larvae: evolutionary history of benzaldehyde sensitivity  

Microsoft Academic Search

In lepidopterous larvae the maxillary palps contain a large portion of the sensory equipment of the insect. Yet, knowledge\\u000a about the sensitivity of these cells is limited. In this paper a morphological, behavioral, and electrophysiological investigation\\u000a of the maxillary palps of Yponomeuta cagnagellus (Lepidoptera: Yponomeutidae) is presented. In addition to thermoreceptors, CO2 receptors, and gustatory receptors, evidence is reported for

Peter Roessingh; Sen Xu; Steph B. J. Menken

2007-01-01

478

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

PubMed

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

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

2014-08-01

479

(E)-Benzaldehyde O-{[3-(pyridin-3-yl)isoxazol-5-yl]meth-yl}oxime  

PubMed Central

The asymmetric unit of the title compound, C16H13N3O2, contains two independent mol­ecules in which the pyridine and benzene rings form dihedral angles of 81.7?(2) and 79.8?(2)°, indicating the twist in the mol­ecules. In the crystal, weak C—H?N inter­actions link mol­ecules into chains along [100]. PMID:22589944

Moreno-Fuquen, Rodolfo; Loaiza, Alix Elena; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.

2012-01-01

480

(E)-Benzaldehyde O-{[3-(pyridin-3-yl)isoxazol-5-yl]meth-yl}oxime.  

PubMed

The asymmetric unit of the title compound, C(16)H(13)N(3)O(2), contains two independent mol-ecules in which the pyridine and benzene rings form dihedral angles of 81.7?(2) and 79.8?(2)°, indicating the twist in the mol-ecules. In the crystal, weak C-H?N inter-actions link mol-ecules into chains along [100]. PMID:22589944

Moreno-Fuquen, Rodolfo; Loaiza, Alix Elena; Diaz-Velandia, John; Kennedy, Alan R; Morrison, Catriona A

2012-04-01

481

Supported Nano-Gold Catalysts for Epoxidation of Styrene and Oxidation of Benzyl Alcohol to Benzaldehyde  

Microsoft Academic Search

Nano-gold particles supported on different alkaline earth oxides (viz. MgO, CaO, BaO and SrO), Gr. IIIa metal oxides (viz.\\u000a Al2O3, Ga2O3, In2O3 and Tl2O3), transition metal oxides (viz. TiO2, Cr2O3, MnO2, Fe2O3, CoOx, NiO, CuO, ZnO, Y2O3 and ZrO2), rare earth metal oxides (viz. La2O3, Ce2O3, Nd2O3, Sm2O3, Eu2O3, Tb2O3, Er2O3 and Yb2O3) and U3O8 [all prepared by depositing gold

Vasant R. Choudhary; Deepa K. Dumbre

2009-01-01

482

Synthesis and Antidiabetic Evaluation of Benzenesulfonamide Derivatives  

PubMed Central

The complex metabolic syndrome, diabetes mellitus, is a major human health concern in the world and is estimated to affect 300 million people by the year 2025. Several drugs such as sulfonylureas and biguanides are presently available to reduce hyperglycemia in diabetes mellitus. These drugs have side effects and thus searching for a new class of compounds is essential to overcome this problems. A series of seven novel N-(4-phenylthiazol-2-yl)benzenesulfonamides derivatives were synthesized and assayed in-vivo to investigate their antidiabetic activities by streptozotocin-induced model in rat. These derivatives showed considerable biological efficacy when compared to glibenclamide, a potent and well-known antidiabetic agent, as a reference drug. Four of the compounds were effective, amongst which 13 show more prominent activity at 100 mg/Kg p.o. The experimental results are statistically significant at p < 0.05 level. PMID:24250607

Hosseinzadeh, Nouraddin; Seraj, Soodeh; Bakhshi-Dezffoli, Mohamad Ebrahim; Hasani, Mohammad; Khoshneviszadeh, Mehdi; Fallah-Bonekohal, Saeed; Abdollahi, Mohammad; Foroumadi, Alireza; Shafiee, Abbas

2013-01-01

483

Hydrocarbon and nonhydrocarbon derivatives of cyclopropane  

NASA Technical Reports Server (NTRS)

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

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

1953-01-01

484

Bacterial degradation of chlorophenols and their derivatives.  

PubMed

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

Arora, Pankaj Kumar; Bae, Hanhong

2014-01-01

485

Antitumor Activity of Bis-Indole Derivatives  

PubMed Central

This paper reports the synthesis of compounds formed by two indole systems separated by a heterocycle (pyridine or piperazine). As a primary screening, the new compounds were submitted to the National Cancer Institute for evaluation of antitumor activity in the human cell line screen. The pyridine derivatives were far more active than the piperazine derivatives. For the study of the mechanism of action, the most active compounds were subjected to COMPARE analysis and to further biological tests including proteasome inhibition and inhibition of plasma membrane electron transport. The compound bearing the 5-methoxy-2-indolinone moiety was subjected to the first in vivo experiment (hollow fiber assay) and was active. It was therefore selected for the second in vivo experiment (human tumor xenograft in mice). In conclusion we demonstrated that this approach was successful since some of the compounds described are much more active than the numerous, so far prepared and tested 3-indolylmethylene-2-indolinones. PMID:18598018

Andreani, Aldo; Burnelli, Silvia; Granaiola, Massimiliano; Leoni, Alberto; Locatelli, Alessandra; Morigi, Rita; Rambaldi, Mirella; Varoli, Lucilla; Landi, Laura; Prata, Cecilia; Berridge, Michael V.; Grasso, Carole; Fiebig, Heinz-Herbert; Kelter, Gerhard; Burger, Angelika M.; Kunkel, Mark W.

2009-01-01

486

Bacterial degradation of chlorophenols and their derivatives  

PubMed Central

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

2014-01-01

487

Penetratin and derivatives acting as antibacterial agents.  

PubMed

The synthesis, in vitro evaluation and conformational study of penetratin and structurally related derivatives acting as antibacterial agents are reported. Among the compounds evaluated here, two methionine sulphoxide derivatives (RQIKIWFQNRRM[O]KWKK-NH2 and RQIKIFFQNRRM[O]KFKK-NH2 ) exhibited the strongest antibacterial effect in this series. In order to better understand the antimicrobial activity obtained for these peptides, we performed an exhaustive conformational analysis using different approaches. Molecular dynamics simulations were performed using two different media (water and trifluoroethanol/water). The results of these theoretical calculations were corroborated using experimental CD measurements. The electronic study for these peptides was carried out using molecular electrostatic potentials obtained from RHF/6-31G(d) calculations. In addition, the non-apeptide RQIRRWWQR-NH2 showed strong inhibitory action against the Gram-negative and Gram-positive bacteria tested in this study. PMID:23581817

Garro, Adriana D; Olivella, Mónica S; Bombasaro, José A; Lima, Beatriz; Tapia, Alejandro; Feresin, Gabriela; Perczel, Andras; Somlai, Csaba; Penke, Botond; López Cascales, Javier; Rodríguez, Ana M; Enriz, Ricardo D

2013-08-01

488

A derivative standard for polarimeter calibration  

SciTech Connect

A long-standing problem in polarized electron physics is the lack of a traceable standard for calibrating electron spin polarimeters. While several polarimeters are absolutely calibrated to better than 2%, the typical instrument has an inherent accuracy no better than 10%. This variability among polarimeters makes it difficult to compare advances in polarized electron sources between laboratories. The authors have undertaken an effort to establish 100 nm thick molecular beam epitaxy grown GaAs(110) as a material which may be used as a derivative standard for calibrating systems possessing a solid state polarized electron source. The near-bandgap spin polarization of photoelectrons emitted from this material has been characterized for a variety of conditions and several laboratories which possess well calibrated polarimeters have measured the photoelectron polarization of cathodes cut from a common wafer. Despite instrumentation differences, the spread in the measurements is sufficiently small that this material may be used as a derivative calibration standard.

Mulhollan, G.; Clendenin, J.; Saez, P. [and others

1996-10-01

489

Antioxidant properties of 3-hydroxycoumarin derivatives.  

PubMed

A series of hydroxylated 3-hydroxycoumarins was synthesised by the reaction of 3-aryl-2-hydroxypropenoic derivatives with boron tribromide. They were evaluated for their ability to scavenge the 2,2-diphenyl-1-picrylhydrazyl radical, the superoxide anion radical, the hydroxyl radical and the peroxynitrite anion and to inhibit copper-induced human LDL peroxidation. The physicochemical results were in accordance to establish the compounds hydroxylated on C-6 and C-7 positions as the most active of the series with antioxidant potencies comparable to those of quercetin and vitamin C. These compounds form o- and p-quinonoid derivatives upon radical scavenging and may serve as new lead compounds for pharmacological investigations. PMID:15465339

Bailly, Fabrice; Maurin, Cédric; Teissier, Elisabeth; Vezin, Hervé; Cotelle, Philippe

2004-11-01

490

Canonical structure of higher derivative theories  

NASA Astrophysics Data System (ADS)

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

Avraham, Eran; Brustein, Ram

2014-07-01

491

Loss of derivatives in evolution Cauchy problems  

Microsoft Academic Search

We study relations between modulus of continuity of the coefficients and loss of derivatives in the Cauchy problem for evolution\\u000a operators with real characteristics in the Petrovsky sense. We also provide counterexamples to show that the obtained classification\\u000a is sharp.\\u000a \\u000a Keywords: Cauchy problem, Evolution equations, Loss of regularity of the solution

Massimo Cicognani; Ferruccio Colombini

2006-01-01

492

Bibenzyl derivatives from the orchid Dendrobium amoenum  

Microsoft Academic Search

Reinvestigation of the orchid Dendrobium amoenum afforded two new bibenzyl derivatives, amoenylin and isoamoenylin, and their known structural analogues, 3,4?-dihydroxy-5-methoxybibenzyl and 4,4?-dihydroxy-3,3?,5-trimethoxybibenzyl (moscatilin), besides the sesquiterpenoids, amotin, amoenin and flaccidin reported earlier from this orchid. The structures of amoenylin and isoamoenylin were established as 4-hydroxy-3,4?,5-trimethoxybibenzyl and 3?-hydroxy-3,4,5-trimethoxybibenzyl, respectively, mainly from spectral evidence.

P. L Majumder; S. Guha; S. Sen

1999-01-01

493

Antioxidant properties of 3-hydroxycoumarin derivatives  

Microsoft Academic Search

A series of hydroxylated 3-hydroxycoumarins was synthesised by the reaction of 3-aryl-2-hydroxypropenoic derivatives with boron tribromide. They were evaluated for their ability to scavenge the 2,2-diphenyl-1-picrylhydrazyl radical, the superoxide anion radical, the hydroxyl radical and the peroxynitrite anion and to inhibit copper-induced human LDL peroxidation. The physicochemical results were in accordance to establish the compounds hydroxylated on C-6 and C-7

Fabrice Bailly; Cédric Maurin; Elisabeth Teissier; Hervé Vezin; Philippe Cotelle

2004-01-01

494

A note on Lie Lorentz derivatives  

Microsoft Academic Search

The definition of ``Lie derivative'' of spinors with respect to Killing\\u000avectors is extended to all kinds of Lorentz tensors. This Lie-Lorentz\\u000aderivative appears naturally in the commutator of two supersymmetry\\u000atransformations generated by Killing spinors and vanishes for Vielbeins. It can\\u000abe identified as the generator of the action of isometries on supergravity\\u000afields and its use for the

2002-01-01

495

Rosmarinic acid derivatives from Salvia officinalis  

Microsoft Academic Search

Sagerinic acid, a novel cyclobutane and salvianolic acid K, derived from rosmarinic acid,were isolated together with the parent compound from polar solvent extracts of Salvia officinalis.Their chemical structures were elucidated by NMR and, for sagerinic acid, the stereochemistry ofthe substituents on the cyclobutane moiety was established as 3?,4a-diaryl-1a,2?-dicarboxylicacid diester (m-truxinate form).

Yinrong Lu; L. Yeap Foo

1999-01-01

496

Eosinophil Secretion of Granule-Derived Cytokines  

PubMed Central

Eosinophils are tissue-dwelling leukocytes, present in the thymus, and gastrointestinal and genitourinary tracts of healthy individuals at baseline, and recruited, often in large numbers, to allergic inflammatory foci and sites of active tissue repair. The biological significance of eosinophils is vast and varied. In health, eosinophils support uterine and mammary gland development, and maintain bone marrow plasma cells and adipose tissue alternatively activated macrophages, while in response to tissue insult eosinophils function as inflammatory effector cells, and, in the wake of an inflammatory response, promote tissue regeneration, and wound healing. One common mechanism driving many of the diverse eosinophil functions is the regulated and differential secretion of a vast array of eosinophil-derived cytokines. Eosinophils are distinguished from most other leukocytes in that many, if not all, of the over three dozen eosinophil-derived cytokines are pre-synthesized and stored within intracellular granules, poised for very rapid, stimulus-induced secretion. Eosinophils engaged in cytokine secretion in situ utilize distinct pathways of cytokine release that include classical exocytosis, whereby granules themselves fuse with the plasma membrane and release their entire contents extracellularly; piecemeal degranulation, whereby granule-derived cytokines are selectively mobilized into vesicles that emerge from granules, traverse the cytoplasm and fuse with the plasma membrane to release discrete packets of cytokines; and eosinophil cytolysis, whereby intact granules are extruded from eosinophils, and deposited within tissues. In this latter scenario, extracellular granules can themselves function as stimulus-responsive secretory-competent organelles within the tissue. Here, we review the distinctive processes of differential secretion of eosinophil granule-derived cytokines. PMID:25386174

Spencer, Lisa A.; Bonjour, Kennedy; Melo, Rossana C. N.; Weller, Peter F.

2014-01-01

497

Deriving test plans from architectural descriptions  

Microsoft Academic Search

The paper presents an approach to derive test plansfor the conformance testing of a system implementationwith respect to the formal description of its SoftwareArchitecture (SA). The SA describes a system in termsof its components and connections, therefore the derivedtest plans address the integration testing phase.We base our approach on a Labelled Transition System(LTS) modeling the SA dynamics, and on suitable

Antonia Bertolino; Flavio Corradini; Henry Muccini

2000-01-01

498

Global impact of mutation-derived varieties  

Microsoft Academic Search

During the past seventy years, worldwide more than 2250 varieties have been released that have been derived either as direct\\u000a mutants or from their progenies. Induction of mutations with radiation has been the most frequently used method for directly\\u000a developed mutant varieties. The prime strategy in mutation-based breeding has been to upgrade the well-adapted plant varieties\\u000a by altering one or

B. S. Ahloowalia; M. Maluszynski; K. Nichterlein

2004-01-01

499

KPZ formula derived from Liouville heat kernel  

E-print Network

In this paper, we establish the Knizhnik--Polyakov--Zamolodchikov (KPZ) formula of Liouville quantum gravity, using the heat kernel of Liouville Brownian motion. This derivation of the KPZ formula was first suggested by F. David and M. Bauer in order to get a geometrically more intrinsic way of measuring the dimension of sets in Liouville quantum gravity. We also provide a careful study of the (no)-doubling behaviour of the Liouville measures in the appendix, which is of independent interest.

Nathanaël Berestycki; Christophe Garban; Rémi Rhodes; Vincent Vargas

2014-06-27

500

Dissolution of Human Teeth-Derived Hydroxyapatite  

Microsoft Academic Search

We have been interested in human teeth which consist of hydroxyapatite (HA), but do not degrade for a long time. In order\\u000a to overcome dissolution and mechanical degradation of man-made HA, biologically derived hydroxyapatite (BHA) ceramics were\\u000a prepared from human teeth and their dissolving behavior was investigated in distilled water for 3–14 days and compared with\\u000a an artificial HA made of

Dong Seok Seo; Jong Kook Lee

2008-01-01