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Sample records for benzaldehyde thiosemicarbazone derivatives

  1. Antitrypanosomal Activity of Novel Benzaldehyde-Thiosemicarbazone Derivatives from Kaurenoic Acid †

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    Cecília M. A. de Oliveira

    2011-01-01

    Full Text Available A series of new thiosemicarbazones derived from natural diterpene kaurenoic acid were synthesized and tested against the epimastigote forms of Trypanosoma cruzi to evaluate their antitrypanosomal potential. Seven of the synthesized thiosemicarbazones were more active than kaurenoic acid with IC50 values between 2-24.0 mM. The o-nitro-benzaldehyde-thiosemicarbazone derivative was the most active compound with IC50 of 2.0 mM. The results show that the structural modifications accomplished enhanced the antitrypanosomal activity of these compounds. Besides, the thiocyanate, thiosemicarbazide and the p- methyl, p-methoxy, p-dimethylamine, m-nitro and o-chlorobenzaldehyde-thiosemicarbazone derivatives displayed lower toxicity for LLMCK2 cells than kaurenoic acid, exhibing an IC50 of 59.5 mM.

  2. Application of molecular topology to the prediction of the phenoloxidase inhibition by a group of benzaldehyde thiosemicarbazone and their derivatives

    OpenAIRE

    García-Domenech, Ramón; Calvo-Chamorro, María L.; Cuervo-Arias, Angélica Y.; Gómez-Sucerquia, Leysa J.; Ortega-Chávez, Verónica; Pérez-Torrado, Eva; Gálvez, Jorge

    2008-01-01

    A topological-mathematical model has been arranged to search for new derivatives of benzaldehyde thiosemicarbazone and related compounds acting as phenoloxidase inhibitors. By using multilinear regression analysis a function with two descriptors, 1χv, 4χpv and r2 = 0,940 was capable to predict adequately the IC50 for each compound.After carrying out a virtual screening based upon such a model, new structures potentially active against the enzyme are proposed.

  3. Benzaldehyde thiosemicarbazone derived from limonene complexed with copper induced mitochondrial dysfunction in Leishmania amazonensis.

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    Elizandra Aparecida Britta

    Full Text Available BACKGROUND: Leishmaniasis is a major health problem that affects more than 12 million people. Treatment presents several problems, including high toxicity and many adverse effects, leading to the discontinuation of treatment and emergence of resistant strains. METHODOLOGY/PRINCIPAL FINDINGS: We evaluated the in vitro antileishmanial activity of benzaldehyde thiosemicarbazone derived from limonene complexed with copper, termed BenzCo, against Leishmania amazonensis. BenzCo inhibited the growth of the promastigote and axenic amastigote forms, with IC(50 concentrations of 3.8 and 9.5 µM, respectively, with 72 h of incubation. Intracellular amastigotes were inhibited by the compound, with an IC(50 of 10.7 µM. BenzCo altered the shape, size, and ultrastructure of the parasites. Mitochondrial membrane depolarization was observed in protozoa treated with BenzCo but caused no alterations in the plasma membrane. Additionally, BenzCo induced lipoperoxidation and the production of mitochondrial superoxide anion radicals in promastigotes and axenic amastigotes of Leishmania amazonensis. CONCLUSION/SIGNIFICANCE: Our studies indicated that the antileishmania activity of BenzCo might be associated with mitochondrial dysfunction and oxidative damage, leading to parasite death.

  4. Inhibition of xanthine oxidase by thiosemicarbazones, hydrazones and dithiocarbazates derived from hydroxy-substituted benzaldehydes.

    Science.gov (United States)

    Leigh, Maria; Raines, Daniel J; Castillo, Carmen E; Duhme-Klair, Anne K

    2011-06-06

    Nonpurine xanthine oxidoreductase (XOR) inhibitors represent important alternatives to the purine analogue allopurinol, which is still the most widely used drug in the treatment of conditions associated with elevated uric acid levels in the blood. By condensing mono-, di- and trihydroxybenzaldehydes with aromatic thiosemicarbazides, aryl hydrazides and dithiocarbazates, three series of structurally related Schiff bases were synthesised, characterised and tested for XOR inhibitory activity. Hydroxy substitution in the para-position of the benzaldehyde component was found to confer high inhibitory activities. Acyl hydrazones were generally less potent than thiocarbonyl-containing Schiff bases. Within the thiosemicarbazone series, chloro and cyano substituents in the para-position of the thiosemicarbazide unit increased activities further, up to potencies approximately four-times higher than that of the benchmark allopurinol, as measured under the same assay conditions. In order to illustrate the potential of the Schiff bases to bind directly to the molybdenum centre in the active site of the enzyme, a representative example (H₂L) of each inhibitor series was co-ordinated to a cis-dioxomolybdenum(VI) unit, and the resulting complexes, [MoO₂(L)MeOH], were structurally characterised. Subsequent steady-state kinetic investigations, however, indicated mixed-type inhibition, similar to that observed for inhibitors known to bind within the substrate access channel of the enzyme, remote from the Mo centre. Enzyme co-crystallisation studies are thus required to determine the exact binding mode. Finally, the coordination of representative inhibitors to copper(II) gave rise to significantly decreased IC₅₀ values, revealing an additive effect that merits further investigation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Structural, thermal and optical characterization of an organic NLO material—Benzaldehyde thiosemicarbazone monohydrate single crystals

    Science.gov (United States)

    Santhakumari, R.; Ramamurthi, K.

    2011-02-01

    Single crystals of the organic NLO material, benzaldehyde thiosemicarbazone (BTSC) monohydrate, were grown by slow evaporation method. Solubility of BTSC monohydrate was determined in ethanol at different temperatures. The grown crystals were characterized by single crystal X-ray diffraction analysis to determine the cell parameters and by FT-IR technique to study the presence of the functional groups. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. UV-vis-NIR spectrum shows excellent transmission in the region of 200-1100 nm. Theoretical calculations were carried out to determine the linear optical constants such as extinction coefficient and refractive index. Further the optical nonlinearities of BTSC have been investigated by Z-scan technique with He-Ne laser radiation of wavelength 632.8 nm. Mechanical properties of the grown crystal were studied using Vickers microhardness tester. Second harmonic generation efficiency of the powdered BTSC monohydrate was tested using Nd:YAG laser and it is found to be ˜5.3 times that of potassium dihydrogen orthophosphate.

  6. Overtone spectroscopy of some benzaldehyde derivatives

    Indian Academy of Sciences (India)

    chlorobenzaldehyde have been undertaken with the following objectives: 1. To see if the Fermi resonance seen in the alkyl CH stretch region for benzaldehyde, ortho hydroxy and methoxy benzaldehydes is present in the present group of com- pounds.

  7. Structural studies and investigation on the activity of imidazole-derived thiosemicarbazones and hydrazones against crop-related fungi.

    Science.gov (United States)

    Reis, Débora C; Despaigne, Angel A Recio; Da Silva, Jeferson G; Silva, Nayane F; Vilela, Camila F; Mendes, Isolda C; Takahashi, Jacqueline A; Beraldo, Heloisa

    2013-10-14

    New imidazole derived thiosemicarbazones and hydrazones were prepared by condensation of 4(5)-imidazole carboxaldehyde, 4-(1H-imidazole-1-yl)benzaldehyde and 4-(1H-imidazole-1-yl)acetophenone with a thiosemicarbazide or hydrazide. All compounds were characterized by quantitative elemental analysis, IR and NMR techniques. Eight structures were determined by single crystal X-ray diffraction. The antifungal activities of the compounds were evaluated. None of the compounds exhibited significant activity against Aspergillus flavus and Candida albicans, while 4(5)-imidazolecarboxaldehyde thiosemicarbazone (ImT) and 4-(1H-imidazole-1-yl)benzaldehyde thiosemicabazone (4ImBzT) were highly and selectively active against Cladosporium cladosporioides. 4(5)-Imidazolecarboxaldehyde benzoyl hydrazone (4(5)ImPh), 4(5)-imidazolecarboxaldehyde-para-chlorobenzoyl hydrazone (4(5)ImpClPh), 4(5)-imidazolecarboxaldehyde-para-nitrobenzoyl hydrazone (4(5)ImpNO2Ph), 4-(imidazole-1-yl)acetophenone-para-chloro-benzoyl hydrazone (4ImAcpClPh) and 4-(imidazole-1-yl)acetophenone-para-nitro-benzoylhydrazone (4ImAcpNO2Ph) were highly active against Candida glabrata. 4(5)ImpClPh and 4(5)ImpNO2Ph were very effective against C. cladosporioides. In many cases, activity was superior to that of the reference compound nystatin.

  8. Hydrogen bonds and antiviral activity of benzaldehyde derivatives

    Science.gov (United States)

    Tolstorozhev, G. B.; Skornyakov, I. V.; Belkov, M. V.; Shadyro, O. I.; Brinkevich, S. D.; Samovich, S. N.

    2012-09-01

    We have obtained the Fourier transform IR spectra of solutions of benzaldehyde derivatives having different antiviral activities against a herpes virus. We observe a correlation between the presence of hydrogen bonds in the benzaldehyde molecules and the appearance of antiviral properties in the compounds. For compounds having antiviral activity, we have obtained spectral data suggesting the existence of hydrogen bonds of the type C=OṡṡṡH-O and O-HṡṡṡO in the molecules. When the hydrogen atom in the hydroxyl groups are replaced by a methyl group, no intramolecular hydrogen bonds are formed and the compounds lose their antiviral activity.

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

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

    2013-05-01

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

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

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    Marina Azevedo Souza

    2013-05-01

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

  11. Synthesis and cytotoxicity evaluation of thiosemicarbazones and their thiazole derivatives

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    Saulo Feheiberg Pinto Braga

    Full Text Available ABSTRACT The aims of this study were to synthesize a series of thiosemicarbazones and their thiazole derivatives, to investigate their cytotoxic activity against three human cancers and normal (Vero cells cell lines, and to evaluate the pro-apoptotic potential of the most active compounds. Materials and Methods: The thiosemicarbazones were obtained by reacting an aromatic aldehyde with thiosemicarbazide (yield 71-96%, which were subjected to a cyclization with α-bromoacetophenone to yield the required thiazole heterocycles (yield 63-100%. All the synthesized compounds were screened at 50 µM concentration against three cell lines representing HL60 (promyelocytic leukemia, Jurkat (acute lymphoblastic leukemia, and MCF-7 (breast cancer. The pro-apoptotic effect was measured by flow cytometry as the percentage of cells with hypodiploid DNA. Results: Three thiazole compounds showed activity against at least one tumor cell line (IC50 = 43-76 µM and low cytotoxicity against Vero cells (IC50 > 100 M. The most active compound of this series induced 91% and 51% DNA fragmentation in HL60 and MCF-7 cell lines, respectively, suggesting that this compound triggered apoptosis in these cells. Conclusion: Among the synthesized compounds, one in particular was found to exert antiproliferative and pro-apoptotic activity on tumor cells and can be considered promising as a lead molecule for the design of new analogues with improved activity.

  12. Inhibition of the acid corrosion of aluminium by some derivatives of thiosemicarbazone

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    P.C. Okafor

    2004-12-01

    Full Text Available The inhibition of corrosion of aluminium in HCl solution by some derivatives of thiosemicarbazones has been studied using weight loss and hydrogen evolution techniques. The thiosemicarbazone derivatives used are 2-acetyl pyridine-(4-phenylthiosemicarbazone (PTSC, 2-acetyl pyridine-(4-phenyl-iso-methylthiosemicarbazone (PIMTSC and 2-acetyl pyridine-(4-phenyl-iso-ethylthiosemicarbazone (PIETSC. The inhibition efficiency depended on the compounds concentration until at very low concentration studied where they reversed their functions and became accelerators. Kinetic treatment of the results gave a first order type of mechanism. The results reported in this paper elucidate the effects of inhibitor concentration, temperature and the molecular structure on the inhibition efficiency.

  13. Cytotoxic activity, albumin and DNA binding of new copper(II) complexes with chalcone-derived thiosemicarbazones.

    Science.gov (United States)

    Da Silva, Jeferson G; Recio Despaigne, Angel A; Louro, Sonia R W; Bandeira, Cristiano C; Souza-Fagundes, Elaine M; Beraldo, Heloisa

    2013-07-01

    [Cu(HL)Cl2] complexes of chalcone-derived thiosemicarbazones were obtained with 3-phenyl-1-pyridin-2-ylprop-2-en-1-one thiosemicarbazone (HPyCTPh), complex (1), 3-(4-chlorophenyl)-1-pyridin-2-ylprop-2-en-1-one thiosemicarbazone (HPyCT4ClPh), complex (2), 3-(4-bromophenyl)-1-pyridin-2-ylprop-2-en-1-one thiosemicarbazone (HPyCT4BrPh), complex (3), and 3-(4-nitrophenyl-1-pyridin-2-ylprop-2-en-1-one thiosemicarbazone (HPyCT4NO2Ph), complex (4). 1-3 showed interaction with bovine serum albumin (BSA) and deoxyribonucleic acid from calf thymus (CT-DNA). The cytotoxic activities of the thiosemicarbazones and complexes (1-4) were tested against HL60 (wild type human promyelocytic leukemia), Jurkat (human immortalized line of T lymphocyte), MDA-MB 231 (human breast carcinoma) and HCT-116 (human colorectal carcinoma) tumor cell lineages. Upon coordination to copper(II) cytotoxicity significantly increased in Jurkat, MDA-MB 231 and HCT-116 cells. Unlike the free thiosemicarbazones, 1-4 induced DNA fragmentation in solid tumor cells indicating their pro-apoptotic potential. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  14. Electron-topological investigation of the structure-antitumor activity relationship of thiosemicarbazone derivatives.

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    Dimoglo, A S; Chumakov, Y M; Dobrova, B N; Saracoglu, M

    1997-04-01

    In the frameworks of the electron-topological method (ETM) the structure-antitumor activity relationship was investigated for a series of thiosemicarbazone derivatives. The series included 70 compounds. Conformational analysis and quantum-chemical calculations were carried out for each compound. The revealed activity feature showed a satisfactory description of the class of active compounds according to two different parameters P and alpha estimating the probabilities of the feature realization in the class of active compounds (they are equal to 0.94 and 0.86, correspondingly). The results of testing demonstrated the high ability of ETM in predicting the activity investigated.

  15. OPTIMIZATION OF TIME REACTION AND HYDROXIDE ION CONCENTRATION ON FLAVONOID SYNTHESIS FROM BENZALDEHYDE AND ITS DERIVATIVES

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    Sri Handayani

    2010-06-01

    Full Text Available The aim of this research is to determine the optimum time of reaction and concentration of hydroxide ion on chalcone, 4-methoxychalcone and 3,4-dimethoxychalcone synthesis. Chalcone and its derivatives were synthesized by dissolving KOH in ethanol followed by dropwise addition of acetophenone and benzaldehyde. Then, the mixture was stirred for several hours. Three benzaldehydes has been used, i.e : benzaldehyde, p-anysaldehyde and veratraldehyde. The time of reaction was varied for, 12, 18, 24, 30 and 36 hours. Furthermore, on the optimum reaction time for each benzaldehyde the hydroxyl ion concentration was varied from 5,7,9,11 and 13%(w/v. The results of this research suggested that the optimum time of chalchone synthesis was 12 hours, while, 4-methoxychalcone and 3,4-dimethoxychalcone were 30 hours. The optimum concentration of hydroxide ion of chalcone synthesis was 13% and for 4-methoxychalcone and 3,4-dimethoxychalcone were 11%. Keywords: Chalcone synthesis, time of reaction, hydroxide ion concentration.

  16. Effects of hydroxylated benzaldehyde derivatives on radiation-induced reactions involving various organic radicals

    Science.gov (United States)

    Ksendzova, G. A.; Samovich, S. N.; Sorokin, V. L.; Shadyro, O. I.

    2018-05-01

    In the present paper, the effects of hydroxylated benzaldehyde derivatives and gossypol - the known natural occurring compound - on formation of decomposition products resulting from radiolysis of ethanol and hexane in deaerated and oxygenated solutions were studied. The obtained data enabled the authors to make conclusions about the effects produced by the structure of the compounds under study on their reactivity towards oxygen- and carbon-centered radicals. It has been found that 2,3-dihydroxybenzaldehyde, 4,6-di-tert-butyl-2,3-dihydroxybenzaldehyde and 4,6-di-tert-butyl-3-(1,3-dioxane-2-yl)-1,2-dihydroxybenzene are not inferior in efficiency to butylated hydroxytoluene - the industrial antioxidant - as regards suppression of the radiation-induced oxidation processes occurring in hexane. The derivatives of hydroxylated benzaldehydes were shown to have a significant influence on radiation-induced reactions involving α-hydroxyalkyl radicals.

  17. Radioactive Indium(114mIn) complexes derived thiosemicarbazones for development of glioma radionuclide therapy tools

    International Nuclear Information System (INIS)

    Ribeiro, Thais S.; Menezes, Maria Ângela B.C.; Belo, Luiz Cláudio M.; Santos, Raquel G. dos; Franco, Lucas L.; Oliveira, Alexandre A.; Beraldo, Heloisa O.

    2017-01-01

    Chemotherapy is widely used as the main course of treatment for various types of cancer. However, the side effects derived from the prolonged use of highly cytotoxic drugs in association with chemotherapy induced resistance are important challenges for effective therapy. In this context, radionuclide therapy (RNT) can be an alternative way to decrease the toxicity and improve the specificity of anti tumoral drugs. Our group has recently demonstrated that Indium (III) coordination to N(4)-Tolyl-2-acetylpyridine-derived thiosemicarbazones improves cytotoxic effects on leukemia cell lines. Once 114m In is a prolific Auger electron emitter, in this study In (III) complexes and their radioactive analogs were produced by neutron activation and their potential for RNT was further studied. Native and radioactive complexes were tested in different concentrations in U87 and T98 glioblastoma multiform (GBM) cell lines, as well as in MRC5 fibroblast cell line. All drugs presented a dose dependent cytotoxicity against cancer cells at submicromolar concentrations. The treatment with 1 μM of the radioactive analogs containing 114m In proved to be at least 1.5 times more potent than non-radioactive complexes in GBM cell lines. Due to the innate resistance of glioblastomas to chemotherapy and radiotherapy, the potentiation factor showed by the test radioactive complexes may be interesting in the course of treatment against these tumors. Therefore, the presented data suggests a synergistic effect of the radionuclide therapy conducted in this study, which might be due to the combinations of pharmacological and radiotherapeutic activities of the 114m In - thiosemicarbazone compounds. (author)

  18. Synthesis and In Vitro Evaluation of New Thiosemicarbazone Derivatives as Potential Antimicrobial Agents

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    Zafer Asım Kaplancıklı

    2016-01-01

    Full Text Available In an effort to develop potent antimicrobial agents, new thiosemicarbazone derivatives were synthesized via the reaction of 4-[4-(trifluoromethylphenyl]thiosemicarbazide with aromatic aldehydes. The compounds were evaluated for their inhibitory effects on pathogenic bacteria and yeasts using the CLSI broth microdilution method. Microplate Alamar Blue Assay was also carried out to determine the antimycobacterial activities of the compounds against Mycobacterium tuberculosis H37Rv. Among these derivatives, compounds 5 and 11 were more effective against Enterococcus faecalis (ATCC 29212 than chloramphenicol, whereas compounds 1, 2, and 12 and chloramphenicol showed the same level of antibacterial activity against E. faecalis. Moreover, compound 2 and chloramphenicol exhibited the same level of antibacterial activity against Staphylococcus aureus. On the other hand, the most potent anticandidal derivatives were found as compounds 2 and 5. These derivatives and ketoconazole exhibited the same level of antifungal activity against Candida glabrata. According to the Microplate Alamar Blue Assay, the tested compounds showed weak to moderate antitubercular activity.

  19. Palladium(II Complexes of NS Donor Ligands Derived from Steroidal Thiosemicarbazones as Antibacterial Agents

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    Abdullah M. Asiri

    2010-07-01

    Full Text Available We have investigated the antibacterial activity of some new steroidal thiosemicarbazones and their Pd(II metal complexes were prepared by the reaction of the thiosemicarbazones with [Pd(DMSO2Cl2]. The steroidal thiosemicarbazones were prepared by the reaction of thiosemicarbazides with a steroidal ketone. The structures of these compounds were elucidated by IR, 1H-NMR, 13C-NMR, FAB mass spectroscopic methods, elemental analyses and TGA analysis. The antibacterial activity of these compounds were tested in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria. The results showed that steroidal complexes are better inhibitors of both types of the bacteria (Gram-positive and Gram-negative as compared to steroidal thiosemicarbazones. Compound Ia displays remarkable antibacterial activity as compared to amoxicillin.

  20. Synthesis and Evaluation of New Benzodioxole- Based Thiosemicarbazone Derivatives as Potential Antitumor Agents

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    Mehlika Dilek Altıntop

    2016-11-01

    Full Text Available New benzodioxole-based thiosemicarbazone derivatives were synthesized and evaluated for their cytotoxic effects on A549 human lung adenocarcinoma, C6 rat glioma and NIH/3T3 mouse embryonic fibroblast cells. In order to examine the correlation between anticancer activity and cholinesterases, the compounds were evaluated for their inhibitory effects on AChE and BuChE. The most effective anticancer agents were investigated for their effects on DNA synthesis, apoptosis and mitochondrial membrane potential. 4-(1,3-Benzodioxol-5-yl-1-([1,1′-biphenyl]-4-ylmethylenethiosemicarbazide (5 was identified as the most promising anticancer agent against C6 and A549 cell lines due to its inhibitory effects on C6 and A549 cells and low toxicity to NIH/3T3 cells. Compound 5 increased early and late apoptosis in A549 and C6 cells. Compound 5 also caused disturbance on mitochondrial membrane potential and showed DNA synthesis inhibitory activity in A549 and C6 cells. Compound 5 was investigated for SIRT1 inhibitory activity to provide mechanistic insight and for that purpose docking studies were also performed for this compound on SIRT1. On the other hand, compound 5 did not show any inhibitory activity against AChE and BuChE. This outcome pointed out that there is no relationship between anticancer activity of compound 5 and cholinesterases.

  1. Biocidal polymers: synthesis and antimicrobial properties of benzaldehyde derivatives immobilized onto amine-terminated polyacrylonitrile

    Science.gov (United States)

    2012-01-01

    Background The design and applications of antimicrobial polymers is a growing field. Antimicrobial polymers can help to solve the problems associated with the use of conventional antimicrobial agents. Polymers with active functional groups can act as a carrier system for antimicrobial agents. In our study, we aim to prepare and develop some antimicrobial polymers for biomedical applications and water treatment. Results The antimicrobial polymers based on polyacrylonitrile (PAN) were prepared. Functional groups were created onto polyacrylonitrile via amination using different types of diamines such as ethylenediamine (EDA) and hexamethylenediamine (HMDA) to yield amine-terminated polymers. Antimicrobial polymers were obtained by immobilization of benzaldehyde and its derivatives which include, 4-hydroxybenzaldehyde and 2,4-dihydroxybenzaldehyde onto amine-terminated polymers. The antimicrobial activity of the prepared polymers against different types of microorganisms including Gram-positive bacteria (Staphylococcus aureus), Gram-negative bacteria (Pseudomonas aeruginosa; Escherichia coli; and Salmonella typhi) as well as fungi (Aspergillus flavus, Aspergillus niger, Candida albicans, Cryptpcoccus neoformans) were explored by the cut plug method and viable cell counting methods. Conclusions Amine-terminated polyacrylonitrile were used as a novel polymeric carrier for benzaldehyde derivatives as antimicrobial agents. The prepared polymers can inhibit the growth of the microorganisms. The activity was varied according to the tested microorganism as well as the polymer microstructure. It was found that the activity increased with increasing the number phenolic hydroxyl group of the bioactive group. Finally, it is anticipated that the prepared antimicrobial polymers would be of great help in the field of biomedical applications and biological water treatment. PMID:23025798

  2. Biocidal polymers: synthesis and antimicrobial properties of benzaldehyde derivatives immobilized onto amine-terminated polyacrylonitrile

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    Alamri Abdullah

    2012-10-01

    Full Text Available Abstract Background The design and applications of antimicrobial polymers is a growing field. Antimicrobial polymers can help to solve the problems associated with the use of conventional antimicrobial agents. Polymers with active functional groups can act as a carrier system for antimicrobial agents. In our study, we aim to prepare and develop some antimicrobial polymers for biomedical applications and water treatment. Results The antimicrobial polymers based on polyacrylonitrile (PAN were prepared. Functional groups were created onto polyacrylonitrile via amination using different types of diamines such as ethylenediamine (EDA and hexamethylenediamine (HMDA to yield amine-terminated polymers. Antimicrobial polymers were obtained by immobilization of benzaldehyde and its derivatives which include, 4-hydroxybenzaldehyde and 2,4-dihydroxybenzaldehyde onto amine-terminated polymers. The antimicrobial activity of the prepared polymers against different types of microorganisms including Gram-positive bacteria (Staphylococcus aureus, Gram-negative bacteria (Pseudomonas aeruginosa; Escherichia coli; and Salmonella typhi as well as fungi (Aspergillus flavus, Aspergillus niger, Candida albicans, Cryptpcoccus neoformans were explored by the cut plug method and viable cell counting methods. Conclusions Amine-terminated polyacrylonitrile were used as a novel polymeric carrier for benzaldehyde derivatives as antimicrobial agents. The prepared polymers can inhibit the growth of the microorganisms. The activity was varied according to the tested microorganism as well as the polymer microstructure. It was found that the activity increased with increasing the number phenolic hydroxyl group of the bioactive group. Finally, it is anticipated that the prepared antimicrobial polymers would be of great help in the field of biomedical applications and biological water treatment.

  3. Structural Studies and Investigation on the Activity of Imidazole-Derived Thiosemicarbazones and Hydrazones against Crop-Related Fungi

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    Jacqueline A. Takahashi

    2013-10-01

    Full Text Available New imidazole derived thiosemicarbazones and hydrazones were prepared by condensation of 4(5-imidazole carboxaldehyde, 4-(1H-imidazole-1-ylbenzaldehyde and 4-(1H-imidazole-1-ylacetophenone with a thiosemicarbazide or hydrazide. All compounds were characterized by quantitative elemental analysis, IR and NMR techniques. Eight structures were determined by single crystal X-ray diffraction. The antifungal activities of the compounds were evaluated. None of the compounds exhibited significant activity against Aspergillus flavus and Candida albicans, while 4(5-imidazolecarboxaldehyde thiosemicarbazone (ImT and 4-(1H-imidazole-1-ylbenzaldehyde thiosemicabazone (4ImBzT were highly and selectively active against Cladosporium cladosporioides. 4(5-Imidazolecarboxaldehyde benzoyl hydrazone (4(5ImPh, 4(5-imidazolecarboxaldehyde-para-chlorobenzoyl hydrazone (4(5ImpClPh, 4(5-imidazolecarboxaldehyde-para-nitrobenzoyl hydrazone (4(5ImpNO2Ph, 4-(imidazole-1-ylacetophenone-para-chloro-benzoyl hydrazone (4ImAcpClPh and 4-(imidazole-1-ylacetophenone-para-nitro-benzoylhydrazone (4ImAcpNO2Ph were highly active against Candida glabrata. 4(5ImpClPh and 4(5ImpNO2Ph were very effective against C. cladosporioides. In many cases, activity was superior to that of the reference compound nystatin.

  4. Radioactive Indium({sup 114m}In) complexes derived thiosemicarbazones for development of glioma radionuclide therapy tools

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, Thais S.; Menezes, Maria Ângela B.C.; Belo, Luiz Cláudio M.; Santos, Raquel G. dos, E-mail: thaissribeiro01@gmail.com, E-mail: lcmb@cdtn.br, E-mail: menezes@cdtn.br, E-mail: gouvears@gmail.com [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil); Franco, Lucas L.; Oliveira, Alexandre A.; Beraldo, Heloisa O., E-mail: lucas_lopardi@yahoo.com.br, E-mail: a13xandr31@hotmail.com, E-mail: heloisaberaldoufmg@gmail.com [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Química

    2017-07-01

    Chemotherapy is widely used as the main course of treatment for various types of cancer. However, the side effects derived from the prolonged use of highly cytotoxic drugs in association with chemotherapy induced resistance are important challenges for effective therapy. In this context, radionuclide therapy (RNT) can be an alternative way to decrease the toxicity and improve the specificity of anti tumoral drugs. Our group has recently demonstrated that Indium (III) coordination to N(4)-Tolyl-2-acetylpyridine-derived thiosemicarbazones improves cytotoxic effects on leukemia cell lines. Once {sup 114m}In is a prolific Auger electron emitter, in this study In (III) complexes and their radioactive analogs were produced by neutron activation and their potential for RNT was further studied. Native and radioactive complexes were tested in different concentrations in U87 and T98 glioblastoma multiform (GBM) cell lines, as well as in MRC5 fibroblast cell line. All drugs presented a dose dependent cytotoxicity against cancer cells at submicromolar concentrations. The treatment with 1 μM of the radioactive analogs containing {sup 114m}In proved to be at least 1.5 times more potent than non-radioactive complexes in GBM cell lines. Due to the innate resistance of glioblastomas to chemotherapy and radiotherapy, the potentiation factor showed by the test radioactive complexes may be interesting in the course of treatment against these tumors. Therefore, the presented data suggests a synergistic effect of the radionuclide therapy conducted in this study, which might be due to the combinations of pharmacological and radiotherapeutic activities of the {sup 114m}In - thiosemicarbazone compounds. (author)

  5. Thiosemicarbazone complexes of the platinum metals. A story of ...

    Indian Academy of Sciences (India)

    , Os; X = Cl, Br) to afford complexes of type [M(PPh3)2(Hsaltsc)2], in which the salicylaldehyde thiosemicarbazone ligand is coordinated to the metal as a bidentate N,S-donor forming a four-membered chelate ring. Reaction of benzaldehyde ...

  6. Synthesis, characterization and structural studies of binuclear nickel(II complexes derived from dihydroxybenzaldehyde thiosemicarbazones, bridged by 1,2-bis(diphenylphosphinoethane

    Directory of Open Access Journals (Sweden)

    Hana B. Shawish

    2016-11-01

    Full Text Available The work described in this paper involves the synthesis and structural characterization of Ni(II complexes derived from dihydroxybenzaldehyde thiosemicarbazones (H3L1, H3L2, H3L3, H3L4 and 1,2-bis(diphenylphosphinoethane (dppe. Ligands and their Ni(II complexes were characterized by elemental analysis, IR, UV–Vis, (1H, 13C, 31P NMR, as well as magnetic moment and X-ray structure analysis. The results so obtained suggest that the thiosemicarbazone ligands behave as a tridentate ligand which were coordinated with Ni(II ion through O, N and S atoms. Furthermore, the dppe ligand was coordinated with Ni(II ion through the P atom. It is concluded that all Ni(II complexes have a Square-planar geometry.

  7. Copper complexes containing thiosemicarbazones derived from 6-nitropiperonal: Antimicrobial and biophysical properties

    Science.gov (United States)

    Beckford, Floyd A.; Webb, Kelsey R.

    2017-08-01

    A series of four thiosemicarbazones from 6-nitropiperonal along with the corresponding copper complexes were synthesized. The biophysical characteristics of the complexes were investigated by the binding to DNA and human serum albumin. The binding to DNA is moderate; the binding constants run from (0.49-7.50) × 104 M- 1. In relation to HSA, the complexes interact strongly with binding constants on the order of 105 M- 1. The complexes also display antioxidant behavior as determined by the ability to scavenge diphenylpicrylhydrazyl (dpph) and nitric oxide radicals. The antimicrobial profiles of the compounds, tested against a panel of microbes including five of the ESKAPE pathogens (Staphylococcus aureus, MRSA, Escherichia coli, Klebsiella pneumoniae, MDR, Acinetobacter baumannii, Pseudomonas aeruginosa) and two yeasts (Candida albicans and Cryptococcus neoformans var. grubii), are also described. The compounds contain a core moiety that is similar to oxolinic acid, a quinolone antibiotic that targets DNA gyrase and topoisomerase (IV). The binding interaction between the complexes and these important antibacterial targets were studied by computational methods, chiefly docking studies. The calculated dissociation constants for the interaction with DNA gyrase B (from Staphylococcus aureus) range from 4.32 to 24.65 μM; the binding was much stronger to topoisomerase IV, with dissociation constants ranging from 0.37 to 1.27 μM.

  8. Thiol and Disulfide Derivatives of Ephedra Alkaloids 2 : A Mechanistic Study of Their Effect on the Addition of Diethyl Zinc to Benzaldehyde

    NARCIS (Netherlands)

    Fitzpatrick, Kevin; Hulst, Ron; Kellogg, Richard M.

    Thiol and disulfide derivatives of ephedrine have been shown previously to catalyse in high enantiomeric excess (ee) the reaction of diethyl zinc with benzaldehyde. We find that this reaction involves non-linear correlations between the ee of product and catalyst. Osmotic measurements indicate a

  9. Evaluation of the potential application of 2-acetylpyridine N4- phenyl thiosemicarbazones derivatives for cancer therapy and diagnosis

    International Nuclear Information System (INIS)

    Soares, Marcella Araugio

    2013-01-01

    Despite the wide range of antineoplastic agents available, resistance of some types of cancer and toxicity to normal cells have been identified as the main causes of treatment failure and death. The lack of early and precise diagnosis is also responsible for reducing survival of cancer patients. In this context, the development of substances with low toxicity and therapeutic potential and/or diagnosis purpose, is the major tool in an attempt to increase the survival of patients and assure the safety and efficacy of treatment. Thiosemicarbazones (TSC) are a class of synthetic compounds that have several biological activities, including antitumor. Although several studies have shown the great potential of TSC as therapeutic and / or diagnostic agents, different chemical modifications performed on this class of molecules indicate new possibilities for applications and still require further studies. The objective of this study was to evaluate the potential applicability of 2-acetylpyridine N-4-phenyl thiosemicarbazones derivatives for cancer therapy and diagnosis. The results showed that all 13 TSC tested were cytotoxic to breast and glioblastoma tumor cell lines, presenting higher in vitro antitumor activity than etoposide, an antineoplastic and inhibitor of topoisomerase II frequently used for cancer therapy. The TSC that have halogen or nitro on ortho position showed higher antitumor activity in vitro than their isomers with halogen or nitro on meta or para position of the phenyl group. H2Ac4oFPh and H2Ac4oClPh compounds showed the highest antitumor activity among all tested compounds, with IC 50 in nanomolar order. These TSC induced cell death by apoptosis and oxidative stress was responsible, at least in part, for this type of cell death. The 5 mg.kg -1 H2Ac4oFPh dose, administered s.c., for 4 consecutive days, did not induce important toxicity; however, the same treatment protocol was not effective for tumor growth reduction in an animal model of brain tumor

  10. Anti-parasitic action and elimination of intracellular Toxoplasma gondii in the presence of novel thiosemicarbazone and its 4-thiazolidinone derivatives

    Directory of Open Access Journals (Sweden)

    C.S. Carvalho

    2010-02-01

    Full Text Available Toxoplasma, which infects all eukaryotic cells, is considered to be a good system for the study of drug action and of the behavior of infected host cells. In the present study, we asked if thiosemicarbazone derivatives can be effective against tachyzoites and which morphological and ultrastructural features of host cells and parasites are associated with the destruction of Toxoplasma. The compounds were tested in infected Vero cell culture using concentration screens (0.1 to 20 mM. The final concentration of 1 mM was chosen for biological assay. The following results were obtained: 1 These new derivatives decreased T. gondii infection with an in vitro parasite IC50% of 0.2-0.7 mM, without a significant effect on host cells and the more efficient compounds were 2, 3 (thiosemicarbazone derivatives and 4 (thiazolidinone derivative; 2 The main feature observed during parasite elimination was continuous morphological disorganization of the tachyzoite secretory system, progressive organelle vesiculation, and then complete disruption; 3 Ultrastructural assays also revealed that progressive vesiculation in the cytoplasm of treated parasites did not occur in the host cell; 4 Vesiculation inside the parasite resulted in death, but this feature occurred asynchronously in different intracellular tachyzoites; 5 The death and elimination of T. gondii was associated with features such as apoptosis-like stage, acidification and digestion of parasites into parasitophorous vacuoles. Our results suggest that these new chemical compounds are promising for the elimination of intracellular parasites by mainly affecting tachyzoite development at 1 mM concentration for 24 h of treatment.

  11. Synthesis and antituberculosis activity of indole-pyridine derived hydrazides, hydrazide-hydrazones, and thiosemicarbazones.

    Science.gov (United States)

    Velezheva, Valeriya; Brennan, Patrick; Ivanov, Pavel; Kornienko, Albert; Lyubimov, Sergey; Kazarian, Konstantin; Nikonenko, Boris; Majorov, Konstantin; Apt, Alexander

    2016-02-01

    We describe the design, synthesis, and in vitro antimycobacterial activity of a series of novel simple hybrid hydrazides and hydrazide-hydrazones combining indole and pyridine nuclei. The compounds are derivatives of 1-acetylindoxyl or substituted indole-3-carboxaldehydes tethered via a hydrazine group by simple C-N or double C=N bonds with 3- and 4-pyridines, 1-oxide 3- and 4-pyridine carbohydrazides. The most active of 15 compounds showed MICs values against an INH-sensitive strain of Mycobacterium tuberculosis H37Rv equal to that of INH (0.05-2 μg/mL). Five compounds demonstrated appreciable activity against the INH-resistant M. tuberculosis CN-40 clinical isolate (MICs: 2-5 μg/mL), providing justification for further in vivo studies. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Synthesis and antimicrobial activities of new 4-thiazolidones derived from formipyridine thiosemicarbazones; Sintese e avaliacao da atividade antimicrobiana de novas 4-tiazolidinonas obtidas a partir de formilpiridina tiossemicarbazonas

    Energy Technology Data Exchange (ETDEWEB)

    Vercoza, George Leonardo; Feitoza, Danniel Delmondes; Alves, Antonio Jose; Aquino, Thiago Mendonca de; Lima, Jose Gildo de [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Ciencias Farmaceuticas], e-mail: jgildolima@gmail.com; Araujo, Janete Magali; Cunha, Ivana Glaucia B.; Goes, Alexandre Jose da Silva [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Antibioticos

    2009-07-01

    Twelve novel 4-thiazolidinone derivatives (2a-l) have been synthesized by reacting formylpyridine thiosemicarbazones (1a-l) and anhydride maleic in toluene. Their chemical structures were confirmed by IR, {sup 1}H and {sup 13}C NMR. The new compounds were submitted to in vitro evaluation against pathogenic Gram-positive, Gram-negative bacteria and yeasts. The findings obtained showed that the compounds 2a, 2d, 2e and 2g were effective against some of the bacterial strains used, whereas the compounds 2d, 2e and 2i exhibited a moderate antifungal activity against the yeast strains evaluated. An initial structure activity relationship (SAR) was established. (author)

  13. Activity on Trypanosoma cruzi, erythrocytes lysis and biologically relevant physicochemical properties of Pd(II) and Pt(II) complexes of thiosemicarbazones derived from 1-indanones.

    Science.gov (United States)

    Santos, Diego; Parajón-Costa, Beatriz; Rossi, Miriam; Caruso, Francesco; Benítez, Diego; Varela, Javier; Cerecetto, Hugo; González, Mercedes; Gómez, Natalia; Caputto, María E; Moglioni, Albertina G; Moltrasio, Graciela Y; Finkielsztein, Liliana M; Gambino, Dinorah

    2012-12-01

    American trypanosomiasis or Chagas disease, caused by the protist parasite Trypanosoma cruzi (T. cruzi), is a major health concern in Latin America. In the search for new bioactive compounds, eight Pd(II) and Pt(II) complexes of thiosemicarbazones derived from 1-indanones (HL) were evaluated as potential anti-T. cruzi compounds. Their unspecific cytotoxicity was determined on human erythrocytes. Two physicochemical features, lipophilicity and redox behavior, that could be potentially relevant for the biological activity of these complexes, were determined. Crystal structure of [Pd(HL1)(L1)]Cl·CH(3)OH, where HL1=1-indanone thiosemicarbazone, was solved by X-ray diffraction methods. Five of the eight metal complexes showed activity against T. cruzi with IC(50) values in the low micromolar range and showed significantly higher activity than the corresponding free ligands. Four of them resulted more active against the parasite than the reference antitrypanosomal drug Nifurtimox. Anti-T. cruzi activity and selectivity towards the parasite were both higher for the Pd(II) compounds than for the Pt(II) analogues, showing the effect of the metal center selection on the biological behavior. Among both physicochemical features tested for this series of compounds, lipophilicity and redox behavior, only the former seemed to show correlation with the antiproliferative effects observed. Metal coordination improved bioactivity but lead to an increase of mammalian cytotoxicity. Nevertheless, some of the metal complexes tested in this work still show suitable selectivity indexes and deserve further developments. Copyright © 2012 Elsevier Inc. All rights reserved.

  14. 1,3,4-Thiadiazole derivatives of R-(+)-limonene benzaldehyde-thiosemicarbazones cause death in Trypanosoma cruzi through oxidative stress.

    Science.gov (United States)

    Martins, Solange C; Lazarin-Bidóia, Danielle; Desoti, Vânia C; Falzirolli, Hugo; da Silva, Cleuza C; Ueda-Nakamura, Tania; Silva, Sueli de O; Nakamura, Celso V

    2016-12-01

    This work evaluated the in vitro and in vivo activity of TDZ 2 on Trypanosoma cruzi amastigotes and determined the possible mechanism of action of this compound on T. cruzi death. TDZ 2 inhibited T. cruzi proliferation in vitro and had low haemolytic potential. It also induced morphological and ultrastructural alterations. We observed a reduction of cell volume, the depolarization of the mitochondrial membrane, an increase in ROS production, lipoperoxidation of the cell membrane, lipid bodies formation and production of nitric oxide, a decrease in reduced thiols levels and, presence of autophagic vacuoles. The in vivo study found a reduction of parasitemia in animals treated with TDZ 2 alone or combined with benznidazole. Altogether, the alterations induced by TDZ 2 point to an oxidative stress condition that lead to T. cruzi cell death. Copyright © 2016 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved.

  15. Characterization of the anti tumoral activity of the thiosemicarbazones derived from N(4)-methyl-tolyl-2acetylpyridine And 2-pyridinoformamide and its metal complex: evaluation of the radiopharmaceutical potential

    International Nuclear Information System (INIS)

    Silva, Paulo Roberto Ornelas da

    2008-01-01

    Thiosemicarbazones have attracted great pharmacological interest because of their biological properties, such as cytotoxic activity against multiple strains of human tumors. The most studied compounds are pyridine-based because of their resemblance to pyridoxal metabolites that attach to co-enzyme B 6 -dependant enzymes. This work aimed the characterization of the anti tumoral effect of N(4)-methyl-tolyl-2-acetylpyridine and 2-pyridinoformamide-derived thiosemicarbazones and the development of a radiopharmaceutical based on a thiosemicarbazone metal complex for positron emission tomography. In the first phase of this study were synthesized twenty-one thiosemicarbazones, derived from N(4)methyl-2 acetylpyridine and 2-pyridine formamide, as well as their metal complexes (Sn, Ga and Cu). Their cytotoxic potential were evaluated against brain and breast tumor cells in vitro. Our results showed all of them presented powerful cytotoxic and antiproliferative activities against glioblastoma multiform and breast adenocarcinoma at very low concentrations (nanomolar range). Morphological alterations characteristic of apoptosis, such as cell shrinkage, chromatin condensation were observed. Copper chloride was used as control and has presented IC50 at millimolar range suggesting that copper complexation with thiosemicarbazone significantly increases (more than 1 million) the anti tumoral effect of this metal. Due to the potent anti tumoral activity of N(4)-methyl-tolyl-2-acetylpyridine derived thiosemicarbazones and the excellent properties of 64 Cu (T 1/2 = 12.7 hours, β + , β - , and EC decay), at the second part for this work it was developed a new imaging agent (radiopharmaceutical) for tumor detection by positron emission tomography (PET). The radiopharmaceuticals were produced in the nuclear reactor TRIGA-IPR-R1 from CDTN, via neutron capture reaction 63 Cu (n,γ) 64 Cu, of the copper complex N(4)-ortho-toluyl-2-acetylpyridine thiosemicarbazone (Culac). The induced

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

    Directory of Open Access Journals (Sweden)

    Felipe S. Pessoto

    2015-01-01

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

  17. Synthesis, Crystal Structural Characterization and Biological Properties of Thiosemicarbazones of Schiff Bases Derived from 4-Acyl-2-pyrazoline-5-one

    Directory of Open Access Journals (Sweden)

    Arjunsinh Rana

    2011-01-01

    Full Text Available A novel synthesis, single crystal and biological activity of 4-acylthiosemicarbazone-3-methyl-1-(4`-methylphenyl-2-pyrazolin-5-one by condensation of 4-acyl-3-methyl-1-(4`-methylphenyl-2-pyrazolin-5-one with thiosemicarbazide was carried out. The compounds were characterized on the basis of elemental analysis, IR, 1H NMR, Mass, DSC and 13C NMR spectral data. The compounds were tested for their antibacterial activity against various gram +ve and -ve bacteria. The results were compared with the marketed drugs. The crystal structure was determined by single x-ray diffraction. 4-Acetyl thiosemicarbazone-3-methyl-1-(4`-methylphenyl-2-pyrazolin-5-one(AcPTMP-ths crystallizes in the monoclinic system, space group P21/n with a=6.0828(7Å, b=29.547(4Å, c=7.9101(15Å, α=90°, γ=95.602(15°, γ=90°, V=1414.9(4 Å3, Z=4, Dc=1.429 mg/m3 and 4-Propionylthiosemicarbazone-3-methyl-1-(4`-methylphenyl-2-pyrazolin-5-one (PropPTMP-ths crystallizes in the monoclinic system, space group P21/c with a=13.5622(10Å, b=13.3671(12Å, c=22.151(2Å, α=90°, β=93.13(7°, γ=90°, V=4010.1(6 Å3, Z=8, Dc=1.310 mg/m3. The compounds were screened for antibacterial properties and exhibited potential activity.

  18. Synthesis, characterization, and thermal stability of novel poly(azomethine-urethane)s and polyphenol derivatives derived from 2,4-dihydroxy benzaldehyde and toluene-2,4-diisocyanate

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Ismet, E-mail: kayaismet@hotmail.com [Canakkale Onsekiz Mart University, Faculty of Sciences and Arts, Department of Chemistry, 17020, Canakkale (Turkey); Avc Latin-Small-Letter-Dotless-I , Ali [Celal Bayar University, Faculty of Sciences and Arts, Department of Chemistry, 45040, Manisa (Turkey)

    2012-03-15

    Graphical abstract: Black-Right-Pointing-Triangle Synthesis, characterization, and thermal stability of novel poly(azomethine-urethane)s and polyphenol derivatives derived from 2,4-dihydroxy benzaldehyde and toluene-2,4-diisocyanate. Highlights: Black-Right-Pointing-Pointer New pol(azomethine-urethane)s were synthesized. Black-Right-Pointing-Pointer PAMUs were converted to their polyphenol species by oxidative polymerization reaction with NaOCl. Black-Right-Pointing-Pointer The synthesized compounds were characterized by solubility tests, TGA and DSC. Black-Right-Pointing-Pointer T{sub g} values of PAMUs were between 137 and 178 Degree-Sign C and thermal stabilities of them were very good. Black-Right-Pointing-Pointer Obtained compounds can be promising candidates for aerospace applications. - Abstract: Up to date, only a few kinds of poly(azomethine-urethane)s (PAMUs) were synthesized and studied with thermal degradation steps. However, polyphenol based PAMUs including azomethine linkages have not been investigated yet. The polyurethanes were prepared by condensation reaction of 2,4-dihydroxybenzaldehyde (2,4-DHBA) with toluene-2,4-diisocyanate (TDI) under argon atmosphere. Synthesized polyurethane was converted to its poly(azomethine urethane) species (TP-2AP, TP-3AP, and TP-4AP) by graft copolymerization reactions with amino phenols (2-amino phenol, 3-amino phenol, and 4-amino phenol). Obtained poly(azomethine urethane)s were converted to their polyphenol species (P-TP-2AP, P-TP-3AP, and P-TP-4AP) by oxidative polymerization reaction (OP) using NaOCl as the oxidant. The structures of the obtained compounds were confirmed by FT-IR, UV-vis, {sup 1}H NMR, and {sup 13}C NMR techniques. The molecular weight distribution parameters of the synthesized compounds were determined by the size exclusion chromatography (SEC). The synthesized compounds were also characterized by solubility tests, TG-DTA, and DSC. Fluorescence measurements were carried out in various

  19. Effects of structures of bidentate Schiff base type bonded-ligands derived from benzaldehyde on the photoluminescence performance of polymer-rare earth complexes.

    Science.gov (United States)

    Gao, Baojiao; Zhang, Liqin; Zhang, Dandan

    2018-02-07

    Two kinds of bidentate Schiff base ligands derived from benzaldehyde, benzaldehyde/m-aminophenol (BAMA) type and benzaldehyde/glutamic acid (BAGL) type ligands, were synchronously synthesized and bonded on the backbone of polysulfone (PSF) through molecular design and by polymer reactions, and two functional polymers, PSF-BAMA and PSF-BAGL, were obtained. Then two series of novel luminescent Schiff base-type polymer-rare earth complexes were prepared via coordination reactions. In this work, the effects of the structures of the bonded ligands on the photoluminescence performance of the complexes were investigated in detail, and for the different photophysical properties of the prepared complexes, relevant theoretical explanations were given. The experimental results show that the bonded ligand BAMA can strongly sensitize the fluorescence emission of Eu(iii) ions, and the binary complex PSF-(BAMA) 3 -Eu(iii) emits strong red fluorescence under UV light. The reason for this lies in the fact that a larger conjugate π-bond system is contained in the structure of BAMA, and so the triplet state of BAMA can be matched with the resonant energy level of the Eu(iii) ion. While the bonded ligand BAGL can effectively sensitize the fluorescence emission of Tb(iii) ions, the binary complex PSF-(BAGL) 3 -Tb(iii) exhibits very strong green fluorescence under UV light. The reason is that a smaller conjugate π-bond system is contained in the structure of BAGL and there is a good energy level matching between the triplet state of BAGL and the resonant energy level of the Tb(iii) ion. The fluorescence intensities of the two ternary complexes, PSF-(BAMA) 3 -Eu(iii)-(Phen) 1 (phenanthroline, Phen) and PSF-(BAGL) 3 -Tb(iii)-(Phen) 1 , are much stronger than that of the corresponding binary complex because Phen as the second ligand has two effects, the effect of synergistic coordination with the first ligand and the effect of replacing the coordinated water around the central ion, and

  20. Synthesis of Some New 1,3,4-Thiadiazole, Thiazole and Pyridine Derivatives Containing 1,2,3-Triazole Moiety

    Directory of Open Access Journals (Sweden)

    Nadia A. Abdelriheem

    2017-02-01

    Full Text Available In this study, 1-(5-Methyl-1-(p-tolyl-1H-1,2,3-triazol-4-ylethan-1-one, was reacted with Thiosemicarbazide, alkyl carbodithioate and benzaldehyde to give thiosemicarbazone, alkylidenehydrazinecarbodithioate and 3-phenylprop-2-en-1-one-1,2,3-triazole derivatives. The 1,3,4-thiadiazole derivatives containing the 1,2,3-triazole moiety were obtained via reaction of alkylidenecarbodithioate with hydrazonoyl halides. Also, hydrazonoyl halides were reacted with thiosemicarbazone and pyrazolylthioamide to give 1,3-thiazoles derivatives. Subsequently, 3-phenyl2-en-1-one was used to synthesize substituted pyridines and substituted nicotinic acid ester. The latter was converted to its azide compound which was reacted with aromatic amines and phenol to give substituted urea and phenylcarbamate containing 1,2,3-triazole moiety. The newly synthesized compounds were established by elemental analysis, spectral data and alternative synthesis whenever possible.

  1. The radiosensitizing effect of a N(4)-tolyl-2-acetylpyridine derived thiosemicarbazone and its metallic complex against a glioblastoma cell line

    International Nuclear Information System (INIS)

    Vilas Boas, Fabricio A.S.; Hudson, Luiza O.; Santos, Raquel G. dos; Mendes, Isolda C.; Beraldo, Heloisa O.

    2009-01-01

    Cancer is one of the most prevalent and difficult diseases to be treated. Despite the efforts at improving diagnose and treatment, the success is still very limited. One of the factors implicated in such limitation is the inherent radioresistance of most tumors, specially the cerebral ones. They are poorly vascularized due to the rapid growth of cells and disorganized angiogenesis that leads to hypoxic tissue that increases radioresistance. Also another issue is the side effects of exposition to high levels of radiation and chemicals. Combined approaches using both chemo and radiotherapy are one of the most effective strategies applied to maximize the results and decrease the side effects of the treatment to the patient. One of the drugs that are commonly used is cisplatin that has some, yet limited result. Given this context, our group has been testing several synthetic compounds of the thiosemicarbazone class. These chemicals have broad pharmacologic profile including antitumoral effect. We have shown in previous works the effective reduction of cell viability and proliferation using very low concentrations of thiosemicarbazones both in free form and complexed with metals like copper. In this work we present another application of this compound that can also be used as a radiosensitization agent in glioblastoma multiform cell line RT-2 present that the combined approach increases de effect of gamma radiation. Also, that the coordination to copper apparently does not increase this activity. (author)

  2. Characterization of the anti tumoral activity of the thiosemicarbazones derived from N(4)-methyl-tolyl-2acetylpyridine And 2-pyridinoformamide and its metal complex: evaluation of the radiopharmaceutical potential; Caracterizacao da atividade antitumoral das tiossemicarbazonas derivadas de N(4)-metil-toluil-2-acetilpiridina e 2-piridinoformamida e seus complexos metalicos: avaliacao do potencial radiofarmaceutico

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Paulo Roberto Ornelas da

    2008-07-01

    Thiosemicarbazones have attracted great pharmacological interest because of their biological properties, such as cytotoxic activity against multiple strains of human tumors. The most studied compounds are pyridine-based because of their resemblance to pyridoxal metabolites that attach to co-enzyme B{sub 6}-dependant enzymes. This work aimed the characterization of the anti tumoral effect of N(4)-methyl-tolyl-2-acetylpyridine and 2-pyridinoformamide-derived thiosemicarbazones and the development of a radiopharmaceutical based on a thiosemicarbazone metal complex for positron emission tomography. In the first phase of this study were synthesized twenty-one thiosemicarbazones, derived from N(4)methyl-2 acetylpyridine and 2-pyridine formamide, as well as their metal complexes (Sn, Ga and Cu). Their cytotoxic potential were evaluated against brain and breast tumor cells in vitro. Our results showed all of them presented powerful cytotoxic and antiproliferative activities against glioblastoma multiform and breast adenocarcinoma at very low concentrations (nanomolar range). Morphological alterations characteristic of apoptosis, such as cell shrinkage, chromatin condensation were observed. Copper chloride was used as control and has presented IC50 at millimolar range suggesting that copper complexation with thiosemicarbazone significantly increases (more than 1 million) the anti tumoral effect of this metal. Due to the potent anti tumoral activity of N(4)-methyl-tolyl-2-acetylpyridine derived thiosemicarbazones and the excellent properties of {sup 64}Cu (T{sub 1/2} = 12.7 hours, {beta}{sup +}, {beta}{sup -}, and EC decay), at the second part for this work it was developed a new imaging agent (radiopharmaceutical) for tumor detection by positron emission tomography (PET). The radiopharmaceuticals were produced in the nuclear reactor TRIGA-IPR-R1 from CDTN, via neutron capture reaction {sup 63}Cu (n,{gamma}) {sup 64}Cu, of the copper complex N(4)-ortho-toluyl-2

  3. Electrochemical and ESR study of 5-nitrofuryl-containing thiosemicarbazones antiprotozoal drugs.

    Science.gov (United States)

    Rigol, Carolina; Olea-Azar, C; Mendizábal, Fernando; Otero, Lucía; Gambino, Dinorah; González, Mercedes; Cerecetto, Hugo

    2005-10-01

    Cyclic voltammetry and electron spin resonance (ESR) techniques were used in the investigation of several potential antiprotozoal thiosemicarbazones nitrofurane derivatives. A self-protonation process involving the protonation of the nitro group due to the presence of an acidic proton in the thiosemicarbazone moiety was observed in the first step of a CEE(rev) reduction mechanism of these derivatives. ESR spectra of the free radicals obtained by electrolytic reduction were characterized and analyzed. AM1 methodology was used to obtain the optimized geometries and UB3LYP calculations were performed to obtain the theoretical hyperfine coupling constants. The theoretical study exhibited an unusual assignment of the spin densities showing a free radical centered in the thiosemicarbazone moiety rather than the nitro which are in agreement with the experimental hyperfine pattern.

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

    Directory of Open Access Journals (Sweden)

    Eliana F Castro

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

  5. ESR, electrochemical and reactivity studies of antitrypanosomal palladium thiosemicarbazone complexes.

    Science.gov (United States)

    Otero, Lucía; Folch, Christian; Barriga, Germán; Rigol, Carolina; Opazo, Lucia; Vieites, Marisol; Gambino, Dinorah; Cerecetto, Hugo; Norambuena, Ester; Olea-Azar, Claudio

    2008-08-01

    Cyclic voltammetry (CV) and electron spin resonance (ESR) techniques were used in the investigation of novel palladium complexes with bioactive thiosemicarbazones derived from 5-nitrofurane or 5-nitrofurylacroleine. Sixteen palladium complexes grouped in two series of the formula [PdCl(2)HL] or [PdL(2)] were studied. ESR spectra of the free radicals obtained by electrolytic reduction were characterized and analyzed. The ESR spectra showed two different hyperfine patterns. The stoichiometry of the complexes does not seem to affect significantly the hyperfine constants however we observed great differences between 5-nitrofurane and 5-nitrofurylacroleine derivatives. The scavenger properties of this family of compounds were lower than Trolox.

  6. Conformational restriction of aryl thiosemicarbazones produces potent and selective anti-Trypanosoma cruzi compounds which induce apoptotic parasite death.

    Science.gov (United States)

    Magalhaes Moreira, Diogo Rodrigo; de Oliveira, Ana Daura Travassos; Teixeira de Moraes Gomes, Paulo André; de Simone, Carlos Alberto; Villela, Filipe Silva; Ferreira, Rafaela Salgado; da Silva, Aline Caroline; dos Santos, Thiago André Ramos; Brelaz de Castro, Maria Carolina Accioly; Pereira, Valéria Rego Alves; Leite, Ana Cristina Lima

    2014-03-21

    Chagas disease, caused by Trypanosoma cruzi, is a life-threatening infection leading to approximately 12,000 deaths per year. T. cruzi is susceptible to thiosemicarbazones, making this class of compounds appealing for drug development. Previously, the homologation of aryl thiosemicarbazones resulted in an increase in anti-T. cruzi activity in comparison to aryl thiosemicarbazones without a spacer group. Here, we report the structural planning, synthesis and anti-T. cruzi evaluation of new aryl thiosemicarbazones (9a-x), designed as more conformationally restricted compounds. By varying substituents attached to the phenyl ring, substituents were observed to retain, enhance or greatly increase the anti-T. cruzi activity, in comparison to the nonsubstituted derivative. In most cases, hydrophobic and bulky substituents, such as bromo, biphenyl and phenoxyl groups, greatly increased antiparasitic activity. Specifically, thiosemicarbazones were identified that inhibit the epimastigote proliferation and were toxic for trypomastigotes without affecting mouse splenocytes viability. The most potent anti-T. cruzi thiosemicarbazones were evaluated against cruzain. However, inhibition of this enzyme was not observed, suggesting that the compounds work through another mechanism. In addition, examination of T. cruzi cell death showed that these thiosemicarbazones induce apoptosis. In conclusion, the structural design executed within the series of aryl thiosemicarbazones (9a-x) led to the identification of new potent anti-T. cruzi agents, such as compounds (9h) and (9r), which greatly inhibited epimastigote proliferation, and demonstrated a toxicity for trypomastigotes, but not for splenocytes. Mechanistically, these compounds do not inhibit the cruzain, but induce T. cruzi cell death by an apoptotic process. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  7. Evaluation of the potential application of 2-acetylpyridine N4- phenyl thiosemicarbazones derivatives for cancer therapy and diagnosis; Avaliacao da potencial aplicacao de derivados de 2-acetilpiridina N-4 fenil tiossemicarbazonas em terapia e diagnostico oncologico

    Energy Technology Data Exchange (ETDEWEB)

    Soares, Marcella Araugio

    2013-08-01

    Despite the wide range of antineoplastic agents available, resistance of some types of cancer and toxicity to normal cells have been identified as the main causes of treatment failure and death. The lack of early and precise diagnosis is also responsible for reducing survival of cancer patients. In this context, the development of substances with low toxicity and therapeutic potential and/or diagnosis purpose, is the major tool in an attempt to increase the survival of patients and assure the safety and efficacy of treatment. Thiosemicarbazones (TSC) are a class of synthetic compounds that have several biological activities, including antitumor. Although several studies have shown the great potential of TSC as therapeutic and / or diagnostic agents, different chemical modifications performed on this class of molecules indicate new possibilities for applications and still require further studies. The objective of this study was to evaluate the potential applicability of 2-acetylpyridine N-4-phenyl thiosemicarbazones derivatives for cancer therapy and diagnosis. The results showed that all 13 TSC tested were cytotoxic to breast and glioblastoma tumor cell lines, presenting higher in vitro antitumor activity than etoposide, an antineoplastic and inhibitor of topoisomerase II frequently used for cancer therapy. The TSC that have halogen or nitro on ortho position showed higher antitumor activity in vitro than their isomers with halogen or nitro on meta or para position of the phenyl group. H2Ac4oFPh and H2Ac4oClPh compounds showed the highest antitumor activity among all tested compounds, with IC{sub 50} in nanomolar order. These TSC induced cell death by apoptosis and oxidative stress was responsible, at least in part, for this type of cell death. The 5 mg.kg{sup -1} H2Ac4oFPh dose, administered s.c., for 4 consecutive days, did not induce important toxicity; however, the same treatment protocol was not effective for tumor growth reduction in an animal model of brain

  8. A novel class of thiosemicarbazones show multi-functional activity for the treatment of Alzheimer's disease.

    Science.gov (United States)

    Palanimuthu, Duraippandi; Poon, Rachal; Sahni, Sumit; Anjum, Rukhsana; Hibbs, David; Lin, Hsuan-Yu; Bernhardt, Paul V; Kalinowski, Danuta S; Richardson, Des R

    2017-10-20

    Over 44 million people live with Alzheimer's disease (AD) worldwide. Currently, only symptomatic treatments are available for AD and no cure exists. Considering the lack of effective treatments for AD due to its multi-factorial pathology, development of novel multi-target-directed drugs are desirable. Herein, we report the development of a novel series of thiosemicarbazones derived from 1-benzylpiperidine, a pharmacophore within the acetylcholinesterase inhibitor, Donepezil. These thiosemicarbazones were designed to target five major AD hallmarks, including: low acetylcholine levels, dysfunctional autophagy, metal dys-homeostasis, protein aggregation and oxidative stress. Of these thiosemicarbazones, pyridoxal 4-N-(1-benzylpiperidin-4-yl)thiosemicarbazone (PBPT) emerged as the lead compound. This agent demonstrated the most promising multi-functional activity by exhibiting very low anti-proliferative activity, substantial iron chelation efficacy, inhibition of copper-mediated amyloid-β aggregation, inhibition of oxidative stress, moderate acetylcholinesterase inhibitory activity and autophagic induction. These diverse properties highlight the potential of the lead ligand, PBPT, as a promising multi-functional agent for AD treatment. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  9. Enhancement of reaction rates for catalytic benzaldehyde ...

    Indian Academy of Sciences (India)

    The effect of pressured carbon dioxide on heterogeneous hydrogenation of benzaldehyde and homogeneous dehydration of sorbitol in water solvent was studied. Initial hydrogenation rates of benzaldehyde over a charcoal-supported palladium catalyst in water at 313 K were enhanced by the addition of carbon dioxide.

  10. Enhancement of reaction rates for catalytic benzaldehyde ...

    Indian Academy of Sciences (India)

    Abstract. The effect of pressured carbon dioxide on heterogeneous hydrogenation of benzaldehyde and homogeneous dehydration of sorbitol in water solvent was studied. Initial hydrogenation rates of benzaldehyde over a charcoal-supported palladium catalyst in water at 313 K were enhanced by the addition of carbon ...

  11. Palladium complexes of pyrrole-2-aldehyde thiosemicarbazone ...

    Indian Academy of Sciences (India)

    Vol. 126, No. 5, September 2014, pp. 1547–1555. c Indian Academy of Sciences. Palladium complexes of pyrrole-2-aldehyde thiosemicarbazone: Synthesis, structure and spectral properties. PIYALI PAUL and SAMARESH BHATTACHARYA. ∗. Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, ...

  12. Synthesis and antimicrobial activity of tetradentate ligands bearing hydrazone and/or thiosemicarbazone motifs and their diorganotin(IV) complexes.

    Science.gov (United States)

    González-García, Cristina; Mata, Alejandro; Zani, Franca; Mendiola, M Antonia; López-Torres, Elena

    2016-10-01

    Four novel ligands derived from 2,3-butanedione have been synthesized, two dissymmetric thiosemicarbazone/3-hydroxy-2-naphthohydrazone ligands, H 2 L 1 (bearing 4-isopropyl-3-thiosemicarbazone) and H 2 L 2 (containing 4-cyclohexyl-3-thiosemicarbazone) and the symmetric H 2 L 3 , diacetyl bis(3-hydroxy-2-naphthohydrazone), and H 2 L 4 , diacetyl bis(4-cyclohexyl-3-thiosemicarbazone). Their reactivity with SnR 2 Cl 2 (R=methyl, n-butyl and phenyl) was explored and the resulting complexes were characterized by elemental analysis, molar conductivity, mass spectrometry, IR, 1 H, 13 C and 119 Sn NMR and seven of them also by single crystal X-ray diffraction. The results showed that the reactivity of the dissymmetric ligands is strongly different and while the cyclohexyl derivative is very stable, with isopropyl easily undergoes a symmetrization reaction to yield the corresponding symmetric ligands. The antimicrobial activity of the ligands and the corresponding diorganotin(IV) complexes was investigated in vitro against seven species of microorganisms and minimum inhibitory concentrations (MICs) were determined. The results showed that the ligand H 2 L 2 and several of its derivatives, together with methyl and phenyl complexes of H 2 L 1 , have the ability of inhibiting the growth of tested bacteria and fungi to different extents. Bacillus subtilis and Staphylococcus aureus Gram positive strains were the most sensitive microorganisms. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Overtone spectroscopy of some benzaldehyde derivatives

    Indian Academy of Sciences (India)

    chlorobenzaldehyde has been studied in 2000–12000 cm-1 region. Vibrational frequencies and anharmonicity constants for aryl as well as alkyl CH stretch vibrations have been determined. We have also determined the internuclear distances for the aryl CH ...

  14. Overtone spectroscopy of some benzaldehyde derivatives

    Indian Academy of Sciences (India)

    For the case of ortho- and meta-disubstitutions and when the two ... and a weak one at 3050 cm-½ are seen. For o-nitrobenzaldehyde a strong peak is observed at 3104 cm-½ accompanied with two relatively weak peaks. Meta .... for alkyl and aryl CH bonds estimated using the relation De = ωѕe/4ωeme are also listed.

  15. In vitro antioxidant, antiinflammatory and in silico molecular docking studies of thiosemicarbazones

    Science.gov (United States)

    Subhashree, G. R.; Haribabu, J.; Saranya, S.; Yuvaraj, P.; Anantha Krishnan, D.; Karvembu, R.; Gayathri, D.

    2017-10-01

    A series of 5-methoxysalicylaldehyde appended thiosemicarbazones (1-4) and 2-hydroxy-1-naphthaldehyde appended thiosemicarbazones (5-8) was obtained from the reactions between 5-methoxysalicylaldehyde/2-hydroxy-1-naphthaldehyde and (un)substituted thiosemicarbazides with the view to ascertain their biological properties brought about by the change in substitution at N-terminal position of the thiosemicarbazide derivatives. The compounds were fully characterized by elemental analyses, and various spectroscopic techniques (UV-Visible, FT-IR, NMR and mass). The solid-state structure of three compounds (1, 2 and 7) was determined by single crystal X-ray diffraction method. The compounds (1, 2 and 7) have adopted a monoclinic crystal system with P21/c (1 and 2) or C2/c (7) space group. Antioxidant and non-haemolysis activities of the compounds (1-8) were analyzed by in vitro DPPH and haemolysis assays, respectively. Antiinflammatory potential was verified by in vitro PLA2 inhibition assay and in silico molecular docking study. In vitro and in silico studies revealed promising antiinflammatory potential of the thiosemicarbazone derivatives. Compounds 2, 4, 6, 7 and 8 showed significant antiinflammatory activity.

  16. Antifungal activity of naphthothiazoles derived from Lawsone ...

    African Journals Online (AJOL)

    A series of Naphtho [2,3-d] thiazole-4, 9-diones was prepared by the condensation of bromolawsone with thiosemicarbazones derived from the aldehydes and ketones in dry dimethyl formamide (DMF). The products are also obtained by the cyclization of the intermediate 2-chlorobenzaldehyde thiosemicarbazone of 1 ...

  17. Investigation of the salicylaldehyde thiosemicarbazone scaffold for inhibition of influenza virus PA endonuclease.

    Science.gov (United States)

    Rogolino, Dominga; Bacchi, Alessia; De Luca, Laura; Rispoli, Gabriele; Sechi, Mario; Stevaert, Annelies; Naesens, Lieve; Carcelli, Mauro

    2015-10-01

    The influenza virus PA endonuclease is an attractive target for the development of novel anti-influenza virus therapeutics, which are urgently needed because of the emergence of drug-resistant viral strains. Reported PA inhibitors are assumed to chelate the divalent metal ion(s) (Mg²⁺ or Mn²⁺) in the enzyme's catalytic site, which is located in the N-terminal part of PA (PA-Nter). In the present work, a series of salicylaldehyde thiosemicarbazone derivatives have been synthesized and evaluated for their ability to inhibit the PA-Nter catalytic activity. Compounds 1-6 have been evaluated against influenza virus, both in enzymatic assays with influenza virus PA-Nter and in virus yield assays in MDCK cells. In order to establish a structure-activity relationship, the hydrazone analogue of the most active thiosemicarbazone has also been evaluated. Since chelation may represent a mode of action of such class of molecules, we studied the interaction of two of them, one with and one without biological activity versus the PA enzyme, towards Mg²⁺, the ion that is probably involved in the endonuclease activity of the heterotrimeric influenza polymerase complex. The crystal structure of the magnesium complex of the o-vanillin thiosemicarbazone ligand 1 is also described. Moreover, docking studies of PA endonuclease with compounds 1 and 2 were performed, to further analyse the possible mechanism of action of this class of inhibitors.

  18. Thiosemicarbazone complexes of the platinum metals. A story of ...

    Indian Academy of Sciences (India)

    Unknown

    membered chelate rings; molecular modelling; five-membered chelate ring. 1. Introduction. The chemistry of transition metal complexes of thiosemicarbazones has been receiving considerable attention largely because of their pharmacological ...

  19. [Synthesis and biological activity of 1,4-benzoquinone-guanylhydrazone-thiosemicarbazone analogs. 1. Substitution at the S atom].

    Science.gov (United States)

    Schulze, W; Gutsche, W; Wohlrabe, K; Fleck, W; Tresselt, D

    1985-08-01

    The synthesis of S-substituted derivatives of 1,4-benzoquinone-guanylhydrazone-thiosemicarbazone is described. The obtained 1,4-benzoquinone-guanylhydrazone-S-alkyl (resp. aralkyl)-isothiosemicarbazones, in comparison with the unsubstituted standard compound, showed a significantly decreased biological activity against the murine leukemias L 1210 and P 388 as well as against the growth of several kinds of bacteria. Therefore the S-substitution seems not to be useful for reaching a maximum activity.

  20. Spectroscopic and electrochemical properties of di-2-thienyl ketone thiosemicarbazone (dtktsc): electrochemical reactions with electrophiles (H+ and CO2)

    International Nuclear Information System (INIS)

    Bakir, Mohammed; Lawrence, Mark A.W.; Nelson, Peter N.; Conry, Rebecca R.

    2016-01-01

    Graphical abstract: The preparation, spectroscopic, electrochemical, and solid state structural properties of the first thiosemicarbazone derivatives of di-2-thienyl ketone (dtktsc) are reported. Electrochemical measurements revealed electro-polymerization, proton and CO 2 mediated reduction, and electro-catalytic decomposition of dtktsc. - Highlights: • The first thiosemicarbazone derivative of di-2-thienyl ketone, di-2-thienyl ketone thiosemicarbazone (dtktsc) is reported. • Spectroscopic and electrochemical measurements on dtktsc revealed strong solvent-compound interaction. • Electrochemical reduction of dtktsc is imine based. • Electrophile (H + or CO 2 ) mediated multi-electron reactions occur on the imine reduction. • Voltammetric measurements revealed electrochemical decomposition, and electro-polymerization. - Abstract: The first di-2-thienyl ketone thiosemicarbazone (dtktsc) and its di-2-thienyl ketone (dtk) hybrid (dtktsc-dtk) were isolated and characterized from the results of their elemental analyses, spectroscopic measurements and X-ray structural analyses. Spectroscopic and electrochemical measurements disclosed sensitivity of dtktsc to changes in its surroundings. Electronic absorption measurements in protophilic solvents (dmso and dmf) in the presence and absence of a base disclosed deprotonation of the thioamide (NH) proton. Variable temperature 1 H NMR measurements divulged entropy driven exchange of NH and NH 2 protons with the residual water protons. X-ray structure analyses confirmed the identities of dtktsc and dtktsc-dtk. Electrochemical measurements on dtktsc in the presence and absence of an electrophile (CO 2 or H + ) revealed irreversible redox processes pointing to electrochemical decomposition, reactions with electrophiles and electro-polymerization. On GC-electrode electro-polymerization of dtktsc occurs in CH 3 CN on oxidative scans. On reductive scans at a Pt-electrode, electro-catalytic decomposition of dtktsc occurs

  1. Adsorption, mobility, and dimerization of benzaldehyde on Pt(111)

    DEFF Research Database (Denmark)

    Rasmussen, Anton Michael Havelund; Hammer, Bjørk

    2012-01-01

    Building on results for the adsorption of benzene on Pt(111), the adsorption of benzaldehyde is investigated using density functional theory. Benzaldehyde is found to chemisorb preferentially with its aromatic ring in the flat-lying bridge geometry that is also preferred for benzene. Across...

  2. Thiosemicarbazone complexes of the platinum metals. A story of ...

    Indian Academy of Sciences (India)

    Unknown

    (4). Structure determination of the [Ru(PPh3)2(bztsc-NO2)2] complex (figure 2) shows that the thiosemicarbazone ligands are again coordinated in a similar fashion (10) as before, forming four-membered chelate rings. This exercise therefore indicates that intramolecular hydrogen bonding is not responsible for the unusual ...

  3. Structural Studies of 2,6-Diacetyl- and 2,6-Diformylpyridine Bis(thiosemicarbazones

    Directory of Open Access Journals (Sweden)

    Brown Christine A.

    2002-01-01

    Full Text Available Although a large number of crystal structures of heterocyclic thiosemicarbazones have recently appeared in the literature, few structures of heterocyclic bis(thiosemicarbazones or their metal complexes have been reported. Complexes of iron(II, indium(III, tin(IV, bismuth(III involve bis(thiosemicarbazones coordinating as N3S2 pentadentate ligands, often resulting in 7-coordinate complexes. In contrast, complexes with zinc(II are often binuclear with thiosemicarbazone moieties of a bis(thiosemicarbazone coordinating to two different zinc centers. Also included in this study is the structure of the first complex with a 2,6-diformylpyridine bis(thiosemicarbazone ligand, a 4-coordinate nickel(II complex with unusual coordination.

  4. Final report on the safety assessment of benzaldehyde.

    Science.gov (United States)

    Andersen, Alan

    2006-01-01

    Benzaldehyde is an aromatic aldehyde used in cosmetics as a denaturant, a flavoring agent, and as a fragrance. Currently used in only seven cosmetic products, its highest reported concentration of use was 0.5% in perfumes. Benzaldehyde is a generally regarded as safe (GRAS) food additive in the United States and is accepted as a flavoring substance in the European Union. Because Benzaldehyde rapidly metabolizes to Benzoic Acid in the skin, the available dermal irritation and sensitization data demonstrating no adverse reactions to Benzoic Acid were considered supportive of the safety of Benzaldehyde. Benzaldehyde is absorbed through skin and by the lungs, distributes to all well-perfused organs, but does not accumulate in any specific tissue type. After being metabolized to benzoic acid, conjugates are formed with glycine or glucuronic acid, and excreted in the urine. Little acute toxicity was seen. The oral LD(50) of Benzaldehyde in rats and mice ranged from 800 to 2850 mg/kg. The intraperitoneal LD(50) in white rats was 3265 mg/kg. In short-term oral studies, the no observed adverse effect level (NOAEL) was 400 mg/kg in rats and mice. In subchronic oral studies, the NOAEL was 400 mg/kg in rats and 600 mg/kg in mice. In a 16-week feeding study, rats given up to 10,000 ppm showed no signs of toxicity. Repeated inhalation of volatilized Benzaldehyde produced ocular and nasal irritation at 500 ppm and death in rabbits at 750 ppm. Undiluted Benzaldehyde was irritating to rabbit eyes, causing edema, erythema, and pain. Benzaldehyde was determined not to be a contact sensitizer, but did produce allergic reactions in a maximization test. Clinical reports of allergy to Benzaldehyde are rare. Benzoic Acid did not produce irritation or sensitization reactions in human clinical studies. Benzoic Acid also failed to produce reactions in phototoxicity and photosensitization tests. Neither Benzaldehyde, Benzoic Acid, nor Sodium Benzoate are reproductive or developmental

  5. Titanium zirconium and hafnium coordination compounds with vanillin thiosemicarbazone

    International Nuclear Information System (INIS)

    Konunova, Ts.B.; Kudritskaya, S.A.

    1987-01-01

    Coordination compounds of titanium zirconium and hafnium tetrachlorides with vanillin thiosemicarbazone of MCl 4 x nLig composition, where n=1.5, 4 for titanium and 1, 2, 4 for zirconium and hafnium, are synthesized. Molar conductivity of ethanol solutions is measured; IR spectroscopic and thermochemical investigation are carried out. The supposition about ligand coordination via sulfur and azomethine nitrogen atoms is made. In all cases hafnium forms stable compounds than zirconium

  6. Thiosemicarbazones: preparation methods, synthetic applications and biological importance

    International Nuclear Information System (INIS)

    Tenorio, Romulo P.; Goes, Alexandre J.S.; Lima, Jose G. de; Faria, Antonio R. de; Alves, Antonio J.; Aquino, Thiago M. de

    2005-01-01

    Thiosemicarbazones are a class of compounds known by their chemical and biological properties, such as antitumor, antibacterial, antiviral and antiprotozoal activity. Their ability to form chelates with metals has great importance in their biological activities. Their synthesis is very simple, versatile and clean, usually giving high yields. They are largely employed as intermediates, in the synthesis of others compounds. This article is a survey of some of these characteristics showing their great importance to organic and medicinal chemistry. (author)

  7. Synthesis and Characterization of Some New Cu(II, Ni(II and Zn(II Complexes with Salicylidene Thiosemicarbazones: Antibacterial, Antifungal and in Vitro Antileukemia Activity

    Directory of Open Access Journals (Sweden)

    Tudor Rosu

    2013-07-01

    Full Text Available Thirty two new Cu(II, Ni(II and Zn(II complexes (1–32 with salicylidene thiosemicarbazones (H2L1–H2L10 were synthesized. Salicylidene thiosemicarbazones, of general formula (XN-NH-C(S-NH(Y, were prepared through the condensation reaction of 2-hydroxybenzaldehyde and its derivatives (X with thiosemicarbazide or 4-phenylthiosemicarbazide (Y = H, C6H5. The characterization of the new formed compounds was done by 1H-NMR, 13C-NMR, IR spectroscopy, elemental analysis, magnetochemical, thermoanalytical and molar conductance measurements. In addition, the structure of the complex 5 has been determined by X-ray diffraction method. All ligands and metal complexes were tested as inhibitors of human leukemia (HL-60 cells growth and antibacterial and antifungal activities.

  8. CHARACTERIZATION AND ANTIPARASITIC ACTIVITY OF BENZOPHENONE THIOSEMICARBAZONES ON Trypanosoma brucei brucei

    Directory of Open Access Journals (Sweden)

    Georges C. Accrombessi

    2011-02-01

    Full Text Available The structure of four synthesized thiosemicarbazones, substituted or not, of benzophenone has been confirmed by spectrometrical analysis IR, NMR 1H and 13C. Their anti-trypanosomal activities were evaluated on Trypanosoma brucei brucei. Among these compounds, benzophenone 4 phenyl-3-thiosemicarbazone 4 has the highest activity with the half-inhibitory concentration (IC50 = 8.48 micromolar (µM. Benzophenone 4-methyl-3-thiosemicarbazone 3 and benzophenone thiosemicarbazone 1 showed moderate anti-trypanosomal activity with IC50 values equal to 23.27 µM and 67.17 µM respectively. Benzophenone 2 methyl-3-thiosemicarbazone 2 showed no activity up to IC50 = 371.74 µM.

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

    Science.gov (United States)

    Panoutsopoulos, Georgios I; Beedham, Christine

    2004-01-01

    Molybdenum-containing enzymes, aldehyde oxidase and xanthine oxidase, are important in the oxidation of N-heterocyclic xenobiotics. However, the role of these enzymes 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 specificity to human molybdenum hydroxylases. The compounds under test included mono-hydroxy and mono-methoxy benzaldehydes as well as 3,4-dihydroxy-, 3-hydroxy-4-methoxy-, 4-hydroxy-3-methoxy-, and 3,4-dimethoxy-benzaldehydes. In addition, various amines and catechols were tested with the molybdenum hydroxylases as inhibitors of benzaldehyde oxidation. The kinetic constants have shown that hydroxy-, and methoxy-benzaldehydes are excellent substrates for aldehyde oxidase (Km values 5x10(-6) M to 1x10(-5) M) with lower affinities for xanthine oxidase (Km values around 10(-4) M). Therefore, aldehyde oxidase activity may be a significant factor in the oxidation of the aromatic aldehydes generated from amines and alkyl benzenes during drug metabolism. Compounds with a 3-methoxy group showed relatively high Vmax values with aldehyde oxidase, whereas the presence of a 3-hydroxy group resulted in minimal Vmax values or no reaction. In addition, amines acted as weak inhibitors, whereas catechols had a more pronounced inhibitory effect on the aldehyde oxidase activity. It is therefore possible that aldehyde oxidase may be critical in the oxidation of the analogous phenylacetaldehydes derived from dopamine and noradrenaline.

  10. 2-Phenyl-tetrahydropyrimidine-4(1H-ones – cyclic benzaldehyde aminals as precursors for functionalised β2-amino acids

    Directory of Open Access Journals (Sweden)

    Markus Nahrwold

    2009-09-01

    Full Text Available Novel procedures have been developed to condense benzaldehyde effectively with β-amino acid amides to cyclic benzyl aminals. Double carbamate protection of the heterocycle resulted in fully protected chiral β-alanine derivatives. These serve as universal precursors for the asymmetric synthesis of functionalised β2-amino acids containing acid-labile protected side chains. Diastereoselective alkylation of the tetrahydropyrimidinone is followed by a chemoselective two step degradation of the heterocycle to release the free β2-amino acid. In the course of this study, an L-asparagine derivative was condensed with benzaldehyde and subsequently converted to orthogonally protected (R-β2-homoaspartate.

  11. Adsorption of Benzaldehyde on Granular Activated Carbon: Kinetics, Equilibrium, and Thermodynamic

    OpenAIRE

    Rajoriya, R.K.; Prasad, B.; Mishra, I.M.; Wasewar, K.L.

    2007-01-01

    Adsorption isotherms of benzaldehyde from aqueous solutions onto granular activated carbon have been determined and studied the effect of dosage of granular activated carbon, contact time, and temperature on adsorption. Optimum conditions for benzaldehyde removal were found adsorbent dose 4 g l–1 of solution and equilibrium time t 4 h. Percent removal of benzaldehyde increases with the increase in adsorbent dose for activated carbon, however, it decreases with increase in benzaldehyde m...

  12. Dynamic Combinatorial Chemistry and Organocatalysis with Thiosemicarbazones and Organocatalysts for Hydrazone and Oxime Bioconjugations

    DEFF Research Database (Denmark)

    Larsen, Dennis

    The first part of this thesis describes the use of thiosemicarbazones for dynamic combinatorial chemistry. Building blocks incorporating thiosemicarbazides and acetalprotected aldehydes were synthesised and conditions where these building blocks formed dynamic combinatorial libraries under...

  13. Investigation of the Biological Properties of (HeteroAromatic Thiosemicarbazones

    Directory of Open Access Journals (Sweden)

    Jaroslaw Polanski

    2012-11-01

    Full Text Available Two series of thiosemicarbazone-based iron chelators (twenty-seven compounds were designed and synthesized using a microwave-assisted approach. Quinoline and halogenated phenyl were selected as parent scaffolds on the basis of a similarity search. The lipophilicity of the synthesized compounds was measured using HPLC and then calculated. Primary in vitro screening of the synthesized compounds was performed against eight pathogenic fungal strains. Only a few compounds showed moderate activity against fungi, and (E-2-(quinolin-2-ylvinyl-N,N-dimethylhydrazine-carbothioamide appeared to be more effective than fluconazole against most of the fungal strains tested. Antiproliferative activity was measured using a human colon cancer cell line (HCT-116. Several of the tested compounds showed submicromolar antiproliferative activity. Compounds were also tested for their activity related to the inhibition of photosynthetic electron transport (PET in spinach (Spinacia oleracea L. chloroplasts. The structure-activity relationships are discussed for all of the compounds.

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

    Science.gov (United States)

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

    2006-07-01

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

  15. New isoxazole(3,5)substituted thiosemicarbazone: Synthesis, crystal structure and spectroscopic studies of the binding mode to protein and calf thymus DNA

    Science.gov (United States)

    Bomfim Filho, Lucius F. O.; Barbosa, Rafaela S.; Burgos C., Ana E.; Rodrigues, Bernardo L.; Teixeira, Letícia R.

    2017-12-01

    Six new 3,5-isoxazole thiosemicarbazone derivatives (ITCs) (HL1 - HL6) were synthesized and characterized using microanalysis, spectroscopic methods and for HL2, HL3, HL5 and HL6a by a single crystal X-ray diffraction. The combined analyses, utilizing NMR and X-ray techniques, showed that the compounds presented an E conformation both in solution and solid state. The intermolecular N3sbnd H3N···S1 hydrogen bonds, between the thiosemicarbazone groups, resulted in rings for all crystals. For HL2 and HL5, one medium strength (N4sbnd H4N···S1) and one weak (C8sbnd H8···N1) intermolecular hydrogen bond was also observed. HL3 presented a π(ar)- π(ar) stacking interaction and HL6a was stabilized by three hydrogen bonds involving DMSO oxygen. The interconnections in the crystal structures were analyzed using Hirshfeld surfaces. The interaction studies, using fluorescence and absorbance spectroscopy, showed that the ITCs interacted with DNA and human serum albumin (HSA).

  16. p-halo N4-phenyl substituted thiosemicarbazones: Crystal structure, supramolecular architecture, characterization and bio-assay of their Co(III) and Ni(II) complexes

    Science.gov (United States)

    Kotian, Avinash; Kumara, Karthik; Kamat, Vinayak; Naik, Krishna; Kokare, Dhoolesh G.; Nevrekar, Anupama; Lokanath, Neratur Krishnappagowda; Revankar, Vidyanand K.

    2018-03-01

    In the present work, three potential metal ion chelating ligands, p-halo N4-phenyl substituted thiosemicarbazones are synthesized and characterized. The molecular structure of all (E)-4-(4-halophenyl)-1-(3-hydroxyiminobutan-2-ylidene) thiosemicarbazones (halo = F/Cl/Br) are determined by single crystal X-ray diffraction method. All the molecules have crystallized in monoclinic crystal system with P21/n space group. The ligands show Csbnd H⋯S and Nsbnd H⋯S intermolecular interactions, which are responsible to form the supramolecular self-assemblies through R22(8), R22(12) and R22(14) ring motifs. Hirshfeld surface analysis is carried out to explore the intermolecular interactions. A series of Co(III) and Ni(II) mononuclear transition metal complexes derived from these ligands have been synthesized and characterized by various spectro-analytical methods. The metal to ligand stoichiometry has been found to be 1:2 in all the complexes. The synthesized compounds have been investigated for their in vitro antimicrobial potencies. The compounds are found to be more active than the standard used, in the case of E. coli and A. niger. Additionally, they are also screened for their in vitro antitubercular activity.

  17. Cherry-flavoured electronic cigarettes expose users to the inhalation irritant, benzaldehyde

    Science.gov (United States)

    Kosmider, Leon; Sobczak, Andrzej; Prokopowicz, Adam; Kurek, Jolanta; Zaciera, Marzena; Knysak, Jakub; Smith, Danielle; Goniewicz, Maciej L.

    2016-01-01

    Many non-cigarette tobacco products, including e-cigarettes, contain various flavorings, such as fruit flavours. Although many flavorings used in e-cigarettes are generally recognized as safe when used in food products, concerns have been raised about the potential inhalation toxicity of these chemicals. Benzaldehyde, which is a key ingredient in natural fruit flavors, has been shown to cause irritation of respiratory airways in animal and occupational exposure studies. Given the potential inhalation toxicity of this compound, we measured benzaldehyde in aerosol generated in a laboratory setting from flavored e-cigarettes purchased online and detected benzaldehyde in 108 out of 145 products. The highest levels of benzaldehyde were detected in cherry flavored products. The benzaldehyde doses inhaled with 30 puffs from flavored e-cigarettes were often higher than doses inhaled from a conventional cigarette. Levels in cherry flavored products were over 1000 times lower than doses inhaled in the workplace. While e-cigarettes seem to be a promising harm reduction tool for smokers, findings indicate that using these products could result in repeated inhalation of benzaldehyde, with long-term users risking regular exposure to the substance. Given the uncertainty surrounding adverse health effects stemming from long-term inhalation of flavoring ingredients such as benzaldehyde, clinicians need to be aware of this emerging risk and ask their patients about use of flavored e-cigarettes. PMID:26822067

  18. Facile Synthesis of Benzaldehyde-Functionalized Ionic Liquids and Their Flexible Functional Group Transformations

    OpenAIRE

    Huang, Qiang; Zheng, Baozhong

    2012-01-01

    Three benzaldehyde-functionalized ionic liquids were readily synthesized by quaternization of N-alkylimidazole with benzaldehyde-functionalized alkyl bromides under microwave irradiation in good yield. These aldehyde-functionalized ionic liquids could easily be oxidized in the presence of H2O2/KOH or be reduced by NaBH4 leading to the formation of the corresponding carboxyl-functionalized ionic liquids or benzylic alcohol-functionalized ionic liquids. In addition, the condensations of these f...

  19. Solubilities of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures

    International Nuclear Information System (INIS)

    Wang, Hui; Wang, Qinbo; Xiong, Zhenhua; Chen, Chuxiong; Shen, Binwei

    2015-01-01

    Highlights: • Solubilities of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were measured at 1 atm. • The experimental temperature ranges at (298.35 to 355.65) K. • Effects of benzyl alcohol mass concentration at (0.00 to 1.00) on the solubilities of benzoic acid were studied. • The experimental data were correlated with NRTL model. • Thermodynamic functions of dissolution of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were discussed. - Abstract: The solubility of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures was measured at temperature from (298.35 to 355.65) K and atmospheric pressure. The measured solubility increases with the increasing temperature at constant solvent composition. The effects of mass fraction benzaldehyde in the solvent mixtures at (0.0 to 1.00) on the solubility were studied. The measured solubility decreases with the increasing mass fraction of benzaldehyde. The experimental results were correlated with the non-random two-liquid (NRTL) equations, and good agreement between the correlated and the experimental values was obtained. Thermodynamic functions for the solution of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures were calculated with the van’t Hoff plot. The apparent dissolution Gibbs free energy change was also calculated

  20. Thiosemicarbazones, semicarbazones, dithiocarbazates and hydrazide/hydrazones: anti-Mycobacterium tuberculosis activity and cytotoxicity.

    Science.gov (United States)

    Pavan, Fernando R; da S Maia, Pedro I; Leite, Sergio R A; Deflon, Victor M; Batista, Alzir A; Sato, Daisy N; Franzblau, Scott G; Leite, Clarice Q F

    2010-05-01

    The aim of this study was to identify a candidate drug for the development of anti-tuberculosis therapy from previously synthesized compounds based on the thiosemicarbazones, semicarbazones, dithiocarbazates and hydrazide/hydrazones compounds. The minimal inhibitory concentration (MIC) of these compounds against Mycobacterium tuberculosis was determined. Their in vitro cytotoxicity to J774 cells (IC50) was determined to establish a selectivity index (SI) (SI=IC50/MIC). The best compounds were the thiosemicarbazones (2, 3 and 4) and the hydrazide/hydrazones (14, 15, 16 and 18). The results are comparable to or better than those of "first line" or "second line" drugs commonly used to treat TB, suggesting these compounds as anti-TB drug candidates. Copyright (c) 2010 Elsevier Masson SAS. All rights reserved.

  1. Human topoisomerase IB is a target of a thiosemicarbazone copper(II) complex.

    Science.gov (United States)

    Vutey, Venn; Castelli, Silvia; D'Annessa, Ilda; Sâmia, Luciana B P; Souza-Fagundes, Elaine M; Beraldo, Heloisa; Desideri, Alessandro

    2016-09-15

    The human topoisomerase IB inhibition and the antiproliferative activity of 3-(4-bromophenyl)-1-pyridin-2-ylprop-2-en-1-one thiosemicarbazone HPyCT4BrPh alone and its copper(II) complex [Cu(PyCT4BrPh)Cl] was investigated. [Cu(PyCT4BrPh)Cl] inhibits both the DNA cleavage and religation step of the enzyme, whilst the ligand alone does not display any effect. In addition we show that coordination to copper(II) improves the cytotoxicity of HPyCT4BrPh against THP-1 leukemia and MCF-7 breast cancer cells. The data indicate that the copper(II) thiosemicarbazone complex may hit human topoisomerase IB and that metal coordination can be useful to improve cytotoxicity of this versatile class of compounds. Copyright © 2016 Elsevier Inc. All rights reserved.

  2. Gold(III) bis(thiosemicarbazonate) compounds in breast cancer cells: Cytotoxicity and thioredoxin reductase targeting.

    Science.gov (United States)

    Rodríguez-Fanjul, Vanessa; López-Torres, Elena; Mendiola, M Antonia; Pizarro, Ana María

    2018-03-25

    Gold(III) compounds have received increasing attention in cancer research. Three gold complexes of general formula [Au III L]Cl, where L is benzil bis(thiosemicarbazonate), compound 1, benzil bis(4-methyl-3-thiosemicarbazonate), compound 2, or benzil bis(4-cyclohexyl-3-thiosemicarbazonate), compound 3, have been synthesized and fully characterized, including the X-ray crystal structure of compound 3, confirming square-planar geometry around the gold(III) centre. Compound 1 showed moderate cytotoxicity and accumulation in MCF7 breast cancer cells but did not inhibit thioredoxin reductase (TrxR) activity and did not induce reactive oxygen species (ROS) production. Compound 2, the least cytotoxic, was found to be capable of modestly inhibiting TrxR activity and produced low levels of ROS in the MCF7 cell line. The most cytotoxic compound, 3, had the highest cellular accumulation and its distribution pattern showed a clear preference for the cytosol and mitochondria of MCF7 cells. It readily hampered intracellular TrxR activity leading to a dramatic alteration of the cellular redox state and to the induction of cell death. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

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

    Science.gov (United States)

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

    2014-04-09

    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-C₆H₄-C(2)(H)N(3)-N(2)H-C(1)(S)-N(1)HR; R = Me, H2L(1); Et, H₂L(1), Ph, H₂L(3), H, H₂L(4)] with copper(II), namely, [Cu(κ(3)-O,N,S-L)( κ(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 (τ 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. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  4. Strong effect of copper(II) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.

    Science.gov (United States)

    Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B

    2015-05-21

    In this study, 2-formylpyridine thiosemicarbazones and three different heterocyclic pharmacophores were combined to prepare thiosemicarbazone–piperazine mPip-FTSC (HL1) and mPip-dm-FTSC (HL2), thiosemicarbazone–morpholine Morph-FTSC (HL3) and Morph-dm-FTSC (HL4), thiosemicarbazone–methylpyrrole-2-carboxylate hybrids mPyrr-FTSC (HL5) and mPyrr-dm-FTSC (HL6) as well as their copper(II) complexes [CuCl(mPipH-FTSC-H)]Cl (1 + H)Cl, [CuCl(mPipH-dm-FTSC-H)]Cl (2 + H)Cl, [CuCl(Morph-FTSC-H)] (3), [CuCl(Morph-dm-FTSC-H)] (4), [CuCl(mPyrr-FTSC-H)(H2O)] (5) and [CuCl(mPyrr-dm-FTSC-H)(H2O)] (6). The substances were characterized by elemental analysis, one- and two-dimensional NMR spectroscopy (HL1–HL6), ESI mass spectrometry, IR and UV–vis spectroscopy and single crystal X-ray diffraction (1–5). All compounds were prepared in an effort to generate potential antitumor agents with an improved therapeutic index. In addition, the effect of structural alterations with organic hybrids on aqueous solubility and copper(II) coordination ability was investigated. Complexation of ligands HL2 and HL4 with copper(II) was studied in aqueous solution by pH-potentiometry, UV–vis spectrophotometry and EPR spectroscopy. Proton dissociation processes of HL2 and HL4 were also characterized in detail and microscopic constants for the Z/E isomers were determined. While the hybrids HL5, HL6 and their copper(II) complexes 5 and 6 proved to be insoluble in aqueous solution, precluding antiproliferative activity studies, the thiosemicarbazone–piperazine and thiosemicarbazone–morpholine hybrids HL1–HL4, as well as copper(II) complexes 1–4 were soluble in water enabling cytotoxicity assays. Interestingly, the metal-free hybrids showed very low or even a lack of cytotoxicity (IC50 values > 300 μM) in two human cancer cell lines HeLa (cervical carcinoma) and A549 (alveolar basal adenocarcinoma), whereas their copper(II) complexes were cytotoxic showing IC50 values from 25.5 to 65.1

  5. Influence of basic properties of Mg,Al-mixed oxides on their catalytic activity in knoevenagel condensation between benzaldehyde and phenylsulfonylacetonitrile

    Directory of Open Access Journals (Sweden)

    Caridad Noda Pérez

    2009-01-01

    Full Text Available The catalytic performance of Mg,Al-mixed oxides (MO20, MO25 and MO33 derived from hydrotalcites was evaluated in the Knoevenagel reaction between benzaldehyde and phenylsulfonylacetonitrile at 373 and 383 K. The best results were obtained for the sample MO20 that presented the highest basic sites density and external area and the smallest crystallite sizes. The relative amount of basic sites with weak to intermediate strength also played an important role on catalytic performance. By increasing the catalyst content from 1 to 5 wt.% at 383 K, a complete conversion of the reactants is attained, producing α-phenylsulfonylcinnamonitrile with a selectivity of 100%.

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

    Directory of Open Access Journals (Sweden)

    Mahoney Noreen

    2011-05-01

    Full Text Available Abstract Background Disruption of cellular antioxidation systems should be an effective method for control of fungal pathogens. Such disruption can be achieved with redox-active compounds. Natural phenolic compounds can serve as potent redox cyclers that inhibit microbial growth through destabilization of cellular redox homeostasis and/or antioxidation systems. The aim of this study was to identify benzaldehydes that disrupt the fungal antioxidation system. These compounds could then function as chemosensitizing agents in concert with conventional drugs or fungicides to improve antifungal efficacy. Methods Benzaldehydes were tested as natural antifungal agents against strains of Aspergillus fumigatus, A. flavus, A. terreus and Penicillium expansum, fungi that are causative agents of human invasive aspergillosis and/or are mycotoxigenic. The yeast Saccharomyces cerevisiae was also used as a model system for identifying gene targets of benzaldehydes. The efficacy of screened compounds as effective chemosensitizers or as antifungal agents in formulations was tested with methods outlined by the Clinical Laboratory Standards Institute (CLSI. Results Several benzaldehydes are identified having potent antifungal activity. Structure-activity analysis reveals that antifungal activity increases by the presence of an ortho-hydroxyl group in the aromatic ring. Use of deletion mutants in the oxidative stress-response pathway of S. cerevisiae (sod1Δ, sod2Δ, glr1Δ and two mitogen-activated protein kinase (MAPK mutants of A. fumigatus (sakAΔ, mpkCΔ, indicates antifungal activity of the benzaldehydes is through disruption of cellular antioxidation. Certain benzaldehydes, in combination with phenylpyrroles, overcome tolerance of A. fumigatus MAPK mutants to this agent and/or increase sensitivity of fungal pathogens to mitochondrial respiration inhibitory agents. Synergistic chemosensitization greatly lowers minimum inhibitory (MIC or fungicidal (MFC

  7. Antitumor metallothiosemicarbazonates: structure and antitumor activity of palladium complex of phenanthrenequinone thiosemicarbazone.

    Science.gov (United States)

    Padhye, Subhash; Afrasiabi, Zahra; Sinn, Ekk; Fok, Jansina; Mehta, Kapil; Rath, Nigam

    2005-03-07

    The crystal structure of the potential antitumor metal compound, viz. chloro, mono(phenanthrenequinone thiosemicarbazonato) palladium(II) dimethyl formamide solvate, is reported. The central palladium(II) atom is in a square planar environment provided by the tridentate, monoanionic thiosemicarbazone ligand and the ancillary chloride ion. The compound exhibited remarkable activity against drug-sensitive and drug-resistant breast cancer cell lines and was relatively nontoxic toward the normal mammary epithelial cells. The drug-induced killing effect against breast cancer cell lines was predominantly mediated via apoptosis, a physiologic form of cell death.

  8. Spectral studies of coordination compounds of cobalt(II) with thiosemicarbazone of heterocyclic ketone

    Science.gov (United States)

    Chandra, Sulekh; Kumar, Umendra

    2005-12-01

    The paper presents the spectral analysis of cobalt(II) complexes with indoxyl thiosemicarbazone (ITSC) of general composition [CoL 2X 2] (where L = ITSC, X = Cl -, NO 3-, (1/2)SO 42-, NCS -). The geometry of the complexes have been characterized by elemental analysis, molar conductance, magnetic susceptibility measurements and spectral (electronic, IR, EPR, 1H NMR, mass) studies. The various physico-chemical techniques suggested a coordination number of six (octahedral) for chloro, nitrato and thiocyanato complexes. Whereas sulfato complex was found to have five coordinate trigonal-bipyramidal geometry. All the complexes are of high spin type showing magnetic moment corresponding to three unpaired electrons.

  9. Guanylation of thiosemicarbazones: a new synthetic route to polysubstituted guanylhydrazones with antimicrobial activity

    International Nuclear Information System (INIS)

    Cunha, Silvio; Macedo Junior, Fernando Cesar de; Costa, Giselle A.N.; Neves, Daniela C.; Souza Neta, Lourdes Cardoso de

    2009-01-01

    Thiosemicarbazones were employed for the first time as electrophiles in the guanylation reaction promoted by HgCl 2 , affording polysubstituted guanylhydrazones, with regioselective introduction of each nitrogen substituent. The antibacterial and antifungal activities of guanylhydrazones were evaluated by determination of minimal inhibitory concentrations. Some of them exhibited very low minimal inhibitory concentrations (MIC) and broad-spectrum activities. The configurations of two guanylhydrazones were assigned by X-ray analysis that also revealed intramolecular interactions of the type N-H...N and C-H...N. (author)

  10. Crystal structure of copper(I) thiosemicarbazone complex [CuI(PPh.sub.3./sub.)(catsc)

    Czech Academy of Sciences Publication Activity Database

    Shahsavani, E.; Feizi, N.; Eigner, Václav; Dušek, Michal; Khalaji, A.D.

    2015-01-01

    Roč. 56, č. 5 (2015), s. 1003-1007 ISSN 0022-4766 R&D Projects: GA ČR GA15-12653S Institutional support: RVO:68378271 Keywords : copper(I) * thiosemicarbazone * crystal structure * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.536, year: 2015

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

    Science.gov (United States)

    Raja, N.; Ramesh, R.

    2010-02-01

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

  12. Synthesis of isoflavene-thiosemicarbazone hybrids and evaluation of their anti-tumor activity.

    Science.gov (United States)

    Yee, Eugene M H; Brandl, Miriam B; Black, David StC; Vittorio, Orazio; Kumar, Naresh

    2017-06-01

    Phenoxodiol is an isoflavene with potent anti-tumor activity. In this study, a series of novel mono- and di-substituted phenoxodiol-thiosemicarbazone hybrids were synthesized via the condensation reaction between phenoxodiol with thiosemicarbazides. The in vitro anti-proliferative activities of the hybrids were evaluated against the neuroblastoma SKN-BE(2)C, the triple negative breast cancer MDA-MB-231, and the glioblastoma U87 cancer cell lines. The mono-substituted hybrids exhibited potent anti-proliferative activity against all three cancer cell lines, while the di-substituted hybrids were less active. Selected mono-substituted hybrids were further investigated for their cytotoxicity against normal MRC-5 human lung fibroblast cells, which identified two hybrids with superior selectivity for cancer cells over normal cells as compared to phenoxodiol. This suggests that mono-substituted phenoxodiol-thiosemicarbazone hybrids have promising potential for further development as anti-cancer agents. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. SYNTHESIS AND ANTITUMOR ACTIVITY OF COPPER, NICKEL AND COBALT COORDINATION COMPOUNDS WITH 1-(2-HYDROXYPHENYL)ETHANONE N(4)-ALLYL-3-THIOSEMICARBAZONE

    OpenAIRE

    Vasilii GRAUR; Serghei SAVCIN; Victor TSAPKOV; Aurelian GULEA

    2015-01-01

    The paper presents the synthesis of the ligand 1-(2-hydroxyphenyl)ethanone N(4)-allyl-3-thiosemicarbazone (H2L) and six coordination compounds of copper, nickel and cobalt with this ligand. The structure of thiosemicarbazone H2L was studied using 1H and 13С NMR spectroscopy. The synthesized coordination compounds were studied using elemental analysis, gravimetric analysis of water content, molar conductivity, and magnetochemistry. For H2L the antitumor activity towards human leukemia HL-60 ce...

  14. Cu and Boron Doped Carbon Nitride for Highly Selective Oxidation of Toluene to Benzaldehyde

    Directory of Open Access Journals (Sweden)

    Hongling Han

    2015-07-01

    Full Text Available A novel Cu and boron doped graphitic carbon nitride catalyst (Cu-CNB was synthesized using cheap precursors and systematically characterized. The selective oxidation of toluene proceeded very smoothly over the catalyst at 70 °C using tert-butyl hydroperoxide (TBHP as the oxidant to exclusively afford benzaldehyde. The catalyst can be used for at least five cycles without decrease in activity and selectivity.

  15. Spectroscopic, thermal and biological studies on some trivalent ruthenium and rhodium NS chelating thiosemicarbazone complexes.

    Science.gov (United States)

    Sharma, Vinod K; Srivastava, Shipra; Srivastava, Ankita

    2007-01-01

    The synthetic, spectroscopic, and biological studies of sixteen ring-substituted 4-phenylthiosemicarbazones and 4-nitrophenyl-thiosemicarbazones of anisaldehyde, 4-chlorobenzaldehyde, 4-fluorobenzaldehyde, and vanillin with ruthenium(III) and rhodium(III) chlorides are reported here. Their structures were determined on the basis of the elemental analyses, spectroscopic data (IR, electronic, (1)H and (13)C NMR) along with magnetic susceptibility measurements, molar conductivity and thermogravimetric analyses. Electrical conductance measurement revealed a 1 : 3 electrolytic nature of the complexes. The resulting colored products are monomeric in nature. On the basis of the above studies, three ligands were suggested to be coordinated to each metal atom by thione sulphur and azomethine nitrogen to form low-spin octahedral complexes with ruthenium(III) while forming diamagnetic complexes with rhodium(III). Both ligands and their complexes have been screened for their bactericidal activities and the results indicate that they exhibit a significant activity.

  16. Synthesis, physicochemical and optical properties of bis-thiosemicarbazone functionalized graphene oxide

    Science.gov (United States)

    Kumar, Santosh; Wani, Mohmmad Y.; Arranja, Claudia T.; Castro, Ricardo A. E.; Paixão, José A.; Sobral, Abilio J. F. N.

    2018-01-01

    Fluorescent materials are important for low-cost opto-electronic and biomedical sensor devices. In this study we present the synthesis and characterization of graphene modified with bis-thiosemicarbazone (BTS). This new material was characterized using Fourier transform infrared spectroscopy (FT-IR), Ultraviolet-visible (UV-Vis) and Raman spectroscopy techniques. Further evaluation by X-ray diffraction (XRD), thermo-gravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and atomic-force microscopy (AFM) allowed us to fully characterize the morphology of the fabricated material. The average height of the BTSGO sheet is around 10 nm. Optical properties of BTSGO evaluated by photoluminescence (PL) spectroscopy showed red shift at different excitation wavelength compared to graphene oxide or bisthiosemicarbazide alone. These results strongly suggest that BTSGO material could find potential applications in graphene based optoelectronic devices.

  17. Transition metal complexes of phenanthrenequinone thiosemicarbazone as potential anticancer agents: synthesis, structure, spectroscopy, electrochemistry and in vitro anticancer activity against human breast cancer cell-line, T47D.

    Science.gov (United States)

    Afrasiabi, Zahra; Sinn, Ekk; Padhye, Shreelekha; Dutta, Sabari; Padhye, Subhash; Newton, Chris; Anson, Christopher E; Powell, Annie K

    2003-07-01

    The thiosemicarbazone derivative of 9,10-phenanthrenequinone, 1, and its metal complexes were synthesized. The X-ray crystal structure for 1 confirms the presence of the E tautomeric arrangement in this compound. Its copper complex shows 1:1 stoichiometry while nickel and cobalt compounds show 1:2 stoichiometry. The X-ray crystal structure of the nickel complex indicates two tridentate ligands coordinating in the thiolato form yielding an octahedral geometry for the 'mer' isomer. The copper complex exhibits maximum antiproliferative activity against human breast cancer cell-line, T47D probably due to inhibition of steroid binding to the cognitive receptor or by preventing dimerization of the estrogen receptor.

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

    Science.gov (United States)

    Xu, Sen; Menken, Steph B. J.

    2007-01-01

    In lepidopterous larvae the maxillary palps contain a large portion of the sensory equipment of the insect. Yet, knowledge about the sensitivity of these cells is limited. In this paper a morphological, behavioral, and electrophysiological investigation of the maxillary palps of Yponomeuta cagnagellus (Lepidoptera: Yponomeutidae) is presented. In addition to thermoreceptors, CO2 receptors, and gustatory receptors, evidence is reported for the existence of two groups of receptor cells sensitive to plant volatiles. Cells that are mainly sensitive to (E)-2-hexenal and hexanal or to (Z)-3-hexen-1-ol and 1-hexanol were found. Interestingly, a high sensitivity for benzaldehyde was also found. This compound is not known to be present in Euonymus europaeus, the host plant of the monophagous Yponomeuta cagnagellus, but it is a prominent compound in Rosaceae, the presumed hosts of the ancestors of Y. cagnagellus. To elucidate the evolutionary history of this sensitivity, and its possible role in host shifts, feeding responses of three Yponomeuta species to benzaldehyde were investigated. The results confirm the hypothesis that the sensitivity to benzaldehyde evolved during the ancestral shift from Celastraceae to Rosaceae and can be considered an evolutionary relict, retained in the recently backshifted Celastraceae-specialist Y. cagnagellus. PMID:17372741

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

    Energy Technology Data Exchange (ETDEWEB)

    Yildirim, Hatice [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Department of Chemistry, 35160 Buca, Izmir (Turkey); Guler, Emine [Ege University, Faculty of Science, Department of Biochemistry, 35100 Bornova, Izmir (Turkey); Yavuz, Murat, E-mail: myavuz@dicle.edu.tr [Ege University, Faculty of Science, Department of Biochemistry, 35100 Bornova, Izmir (Turkey); Dicle University, Faculty of Science, Department of Chemistry, 21280 Diyarbakir (Turkey); Ozturk, Nurdan; Kose Yaman, Pelin [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Department of Chemistry, 35160 Buca, Izmir (Turkey); Subasi, Elif; Sahin, Elif [Dokuz Eylul University, Faculty of Science, Department of Chemistry, 35160 Buca, Izmir (Turkey); Timur, Suna [Ege University, Faculty of Science, Department of Biochemistry, 35100 Bornova, Izmir (Turkey); Ege University, Institute on Drug Abuse, Toxicology and Pharmaceutical Science (BATI), 35100 Bornova, Izmir (Turkey)

    2014-11-01

    A conformationally rigid half-sandwich organoruthenium (II) complex [(η{sup 6}-p-cymene)RuClTSC{sup N–S}]Cl, (1) and carbonyl complex [Ru(CO)Cl(PPh{sub 3}){sub 2}TSC{sup N–S}] (2) have been synthesized from the reaction of [{(η"6-p-cymene)RuCl}{sub 2}(μ-Cl){sub 2}] and [Ru(H)(Cl)(CO)(PPh{sub 3}){sub 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 − 0.9 V 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 0.01–0.5 mM 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. - Highlights: • Novel Ru (II) thiosemicarbazone complexes were synthesized and characterized. • Electrochemical depositions were performed. • Rigid half-sandwich Ru (II) complex showed enhanced antibacterial activity.

  20. Synthesis of biological active thiosemicarbazone and characterization of the interaction with human serum albumin

    International Nuclear Information System (INIS)

    Yu, Wangshu; Shi, Lei; Hui, Guangquan; Cui, Fengling

    2013-01-01

    The synthesis of a new biological active reagent, 2-((1,4-dihydroxy)-9,10-anthraquinone) aldehyde thiosemicarbazone (DHAQTS), was designed. The interaction between DHAQTS and HSA was studied by fluorescence spectroscopy in combination with molecular modeling under simulation of physiological conditions. According to the results of fluorescence measurements, the quenching mechanism was suggested to be static. The thermodynamic parameters are calculated by van't Hoff equation, which demonstrated that hydrophobic interactions are the predominant intermolecular forces stabilizing the complex. The number of binding sites (n) was calculated. Through the site marker competitive experiment, DHAQTS was confirmed to be located in site I of HSA. The binding distance r=2.83 nm between the donor HSA and acceptor DHAQTS was obtained according to Förster's non-radiative energy transfer theory. The three-dimensional fluorescence spectral results showed the conformation and microenvironment of HSA changed in the presence of DHAQTS. The effects of common ions on the binding of DHAQTS to HSA were also evaluated. The experimental results were in agreement with the results obtained via a molecular docking study. - Highlights: ► 2-((1,4-dihydroxy)-9,10-anthraquinone)aldehyde thiosemicarbazone (DHAQTS) was synthesized. ► DHAQTS can quench the fluorescence of human serum albumin (HSA) by static quenching mechanism. ► Hydrophobic interactions were the predominant intermolecular forces. ► The competitive experiment was carried out to identify the DHAQTS binding site on HSA. ► Three-dimensional spectra confirmed DHAQTS caused the conformational change of HSA.

  1. Thiosemicarbazones: preparation methods, synthetic applications and biological importance; Tiossemicarbazonas: metodos de obtencao, aplicacoes sinteticas e importancia biologica

    Energy Technology Data Exchange (ETDEWEB)

    Tenorio, Romulo P.; Goes, Alexandre J.S. [Universidade Federal de Pernambuco, Recife, PE (Brazil). Dept. de Antibioticos]. E-mail: ajsg@ufpe.br; Lima, Jose G. de; Faria, Antonio R. de; Alves, Antonio J.; Aquino, Thiago M. de [Universidade Federal de Pernambuco, Recife, PE (Brazil). Dept. de Ciencias Farmaceuticas

    2005-11-15

    Thiosemicarbazones are a class of compounds known by their chemical and biological properties, such as antitumor, antibacterial, antiviral and antiprotozoal activity. Their ability to form chelates with metals has great importance in their biological activities. Their synthesis is very simple, versatile and clean, usually giving high yields. They are largely employed as intermediates, in the synthesis of others compounds. This article is a survey of some of these characteristics showing their great importance to organic and medicinal chemistry. (author)

  2. Copper(II Thiosemicarbazone Complexes and Their Proligands upon UVA Irradiation: An EPR and Spectrophotometric Steady-State Study

    Directory of Open Access Journals (Sweden)

    Michal Hricovíni

    2018-03-01

    Full Text Available X- and Q-band electron paramagnetic resonance (EPR spectroscopy was used to characterize polycrystalline Cu(II complexes that contained sodium 5-sulfonate salicylaldehyde thiosemicarbazones possessing a hydrogen, methyl, ethyl, or phenyl substituent at the terminal nitrogen. The ability of thiosemicarbazone proligands to generate superoxide radical anions and hydroxyl radicals upon their exposure to UVA irradiation in aerated aqueous solutions was evidenced by the EPR spin trapping technique. The UVA irradiation of proligands in neutral or alkaline solutions and dimethylsulfoxide (DMSO caused a significant decrease in the absorption bands of aldimine and phenolic chromophores. Mixing of proligand solutions with the equimolar amount of copper(II ions resulted in the formation of 1:1 Cu(II-to-ligand complex, with the EPR and UV-Vis spectra fully compatible with those obtained for the dissolved Cu(II thiosemicarbazone complexes. The formation of the complexes fully inhibited the photoinduced generation of reactive oxygen species, and only subtle changes were found in the electronic absorption spectra of the complexes in aqueous and DMSO solutions upon UVA steady-state irradiation. The dark redox activity of copper(II complexes and proligand/Cu(II aqueous solutions towards hydrogen peroxide which resulted in the generation of hydroxyl radicals, was confirmed by spin trapping experiments.

  3. The Cytotoxicity of Benzaldehyde Nitrogen Mustard-2-Pyridine Carboxylic Acid Hydrazone Being Involved in Topoisomerase IIα Inhibition

    Directory of Open Access Journals (Sweden)

    Yun Fu

    2014-01-01

    Full Text Available 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 μM , HCT-116: 57.5 ± 5.3 μM, K562: 48.2 ± 4.0 μM, and PC-12: 19.4 ± 2.2 μM 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 IIα. Those revealed that the cytotoxic mechanism of the BNMPH could stem from both the topoisomerase II inhibition, ROS generation and DNA alkylation.

  4. Synthesis of Chalcone and Flavanone Compound Using Raw Material of Acetophenone and Benzaldehyde Derivative

    Directory of Open Access Journals (Sweden)

    Ismiyarto Ismiyarto

    2010-06-01

    Full Text Available Synthesis of flavanoid compounds of chalcone and flavanone groups have been conducted. Flavanoid Is one of the group natural products which is mostly found in plants and have been proved to have physiological activity as drug. In this research, chalcone proup compounds that being synthesized are: chalcone, 3,4-dimethoxychalcone, 2'-hidroxy-3,4-dimethoxychalcone where as compound of flavanone group that being synthesized is 3',4'-dimethoxyflavanone. The synthesis of chalcone group are carried out based on Claisen-Schmidt reaction by using raw material of aromatic aldehydes and aromatic ketones. The synthesis in carried out by stirring at the room temperature using alkali solution as catalyst and ethanol as solvent. The synthesis of 3',4'-dimethoxyflanone is made based on the nucleophilic 1,4 addition of the unsaturated α,β ketone. The synthesis is made by refluxing 2'-hydroxy-3,4-dimethoxychalcone in alkali condition for 12 hours. The identification of flavanoid compound is carried out by using spectroscopic IR, GC-MS and 1H-NMR methods. The result of each synthesis chalcone group are follows: chalcone as yellowish solid with m.p= 50 °C and the yield is 83.39%; 3,4-dimethoxychalcone as yellow solid with m.p= 57°C and the yield is 76.00% ; 2'-hydroxy-3,4-dimethoxychalcone as orange solid with m.p= 90 °C and the yield is 74.29%, for 3',4'-dimethoxyflavanone as pale yellow solid with m.p= 80 °C and the yield is 72.00%.

  5. Uses of acetoacetanilide for the synthesis of thiophene derivatives ...

    African Journals Online (AJOL)

    Uses of acetoacetanilide for the synthesis of thiophene derivatives with cytotoxic activities. ... Bulletin of the Chemical Society of Ethiopia ... The latter was the key starting material for the synthesis of different thiophene and fused derivatives through its reaction with aryldiazonium chloride, benzaldehyde and acetic anhydride.

  6. Structural and biological evaluation of some metal complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone

    Science.gov (United States)

    Yousef, T. A.; Abu El-Reash, G. M.; Al-Jahdali, M.; El-Rakhawy, El-Bastawesy R.

    2013-12-01

    The synthesis and characterization of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II) and U(VI)O2 complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone (H2PVT) are reported. Theoretical calculations have been performed to obtain IR spectra of ligand and its complexes using AM1, Zindo/1, MM+ and PM3, methods. The Schiff base and its metal complexes have been screened for antibacterial Pseudomonas aeruginosa, Escherichia coli, Bacillus subtilis and Staphylococcus saprophyticus. H2VPT shows no apparent digestion effect on the egg albumin while Mn(II), Hg(II) and Cu(II) complexes exhibited a considerable digestion effect following the order Cu(II) > Mn(II) > Hg(II). Moreover, Ni(II) and Co(II) complexes revealed strong digestion effect. Fe(II), Mn(II), Cu(II), Zn(II) and Ni(II) acted as metal co- SOD enzyme factors, which are located in different compartments of the cell.

  7. Species dependence of [64Cu]Cu-Bis(thiosemicarbazone) radiopharmaceutical binding to serum albumins

    International Nuclear Information System (INIS)

    Basken, Nathan E.; Mathias, Carla J.; Lipka, Alexander E.; Green, Mark A.

    2008-01-01

    Introduction: Interactions of three copper(II) bis(thiosemicarbazone) positron emission tomography radiopharmaceuticals with human serum albumin, and the serum albumins of four additional mammalian species, were evaluated. Methods: 64 Cu-labeled diacetyl bis(N 4 -methylthiosemicarbazonato)copper(II) (Cu-ATSM), pyruvaldehyde bis(N 4 -methylthiosemicarbazonato)copper(II) (Cu-PTSM) and ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) were synthesized and their binding to human, canine, rat, baboon and porcine serum albumins quantified by ultrafiltration. Protein binding was also measured for each tracer in human, porcine, rat and mouse serum. Results: The interaction of these neutral, lipophilic copper chelates with serum albumin is highly compound- and species-dependent. Cu-PTSM and Cu-ATSM exhibit particularly high affinity for human serum albumin (HSA), while the albumin binding of Cu-ETS is relatively insensitive to species. At HSA concentrations of 40 mg/ml, '% free' (non-albumin-bound) levels of radiopharmaceutical were 4.0±0.1%, 5.3±0.2% and 38.6±0.8% for Cu-PTSM, Cu-ATSM and Cu-ETS, respectively. Conclusions: Species-dependent variations in radiopharmaceutical binding to serum albumin may need to be considered when using animal models to predict the distribution and kinetics of these compounds in humans

  8. A copper(II) thiosemicarbazone complex built on gold for the immobilization of lipase and laccase.

    Science.gov (United States)

    Rodríguez-Argüelles, M Carmen; Villalonga, Reynaldo; Serra, Carmen; Cao, Roberto; Sanromán, M Angeles; Longo, María A

    2010-08-01

    A self-assembled monolayer (SAM) of imidazole-2-carbaldehyde thiosemicarbazone (H(2)ImTSC) on gold was formed and characterized by ATR-FTIR, Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) and X-ray Photoelectron Spectroscopy (XPS). The self-assembly of the ligand through its thioenolate group was confirmed by ToF-SIMS and the presence of XPS peaks at 161.9 (S(2p1/2)) and 163.1eV (S(2p3/2)). The two nitrogen donor atoms of self-assembled HImTSC were able to coordinate (kappa(2)-N,N) copper(II) when set to interact with a CuCl(2) solution upon a second deprotonation of the ligand. This way, two types of modified gold sheets for the immobilization of lipase and laccase were obtained: (a) SAM of the ligand on gold (Au-HImTSC), and (b) SAM of HImTSC with a second monolayer of copper(II) (Au-ImTSC-Cu(II)). The highest immobilization of enzyme was achieved for laccase on Au-ImTSC-Cu(II) according to XPS and enzymatic activity determinations. Copper(II) played a an important recognition role through coordination to the enzyme and/or electrostatic interactions. Nevertheless, the positively charged surface of Au-ImTSC-Cu(II) affected the activity of laccase. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  9. Tin(II Selective PVC Membrane Electrode Based on Salicylaldehyde Thiosemicarbazone as an Ionophore

    Directory of Open Access Journals (Sweden)

    Sulekh Chandra

    2013-01-01

    Full Text Available A polymeric membrane-based tin selective electrode was developed by using salicylaldehyde thiosemicarbazone (STSC. The best performance was recorded with a membrane composition of PVC : TBP : ionophore : NaTPB as 28 : 59 : 8 : 5 (w/w%. The Nernstian slope calculated from the calibration curve for Sn2+ sensor was 28.8 ± 0.4 mV/decade. The detection limit of the sensor was 2.10 × 10−8 M, in the linear concentration range of 1.0 × 10−2−1.1 × 10−7 M. It was relatively fast response time (<8 s for concentration ≥1.0×10−4 and <12 s for concentration of ≥1.0×10−6 M and can be used for 9 months without any considerable divergence in potentials. The proposed sensor exhibit relatively good selectivity and high sensitivity for tin(II as other mono-, di-, and trivalent cations and can be used in a pH range of 2.0–8.5. The analytical usefulness of the proposed electrode has been evaluated by its application in the determination of stannous in artificially made samples.

  10. 2-Acetylpyridine N4-Phenyl- Thiosemicarbazone as a new tool for tumour diagnosis

    International Nuclear Information System (INIS)

    Soares, Marcella Araugio; Pesquero, Jorge Luiz

    2009-01-01

    The aim of this work was to determine in vivo biodistribution of radiolabelled 2-acetylpyridine N4 phenyl thiosemicarbazone (Ph) and to evaluate its applicability for tumour diagnosis. Ph was labelled with 125 I using lactoperoxidase method and radiochemical analysis was performed by chromatography. 125 I-Ph production was successful with 86 ± 9.2% of radiochemical purity and high specific activity (17.6 TBq /mmol). 125 I-Ph was used for biodistribution and pharmacokinetics studies on Swiss mice bearing Ehrlich solid tumour. 125 I-Ph presented a rapid blood clearance (T 1/2 = 97.2 min.) and the kidneys were the main excretion pathway (CL0.01 mL/min). 125 I-Ph uptake was significant in tumour (2.5%ID/g) and tumour-to-normal tissue uptake was more than 20-fold higher depending on the organ. The uptake by the organs like heart, lungs, stomach and liver followed the blood perfusion. Our results suggest that 125 I-Ph possess indispensable characteristics for an efficient radiopharmaceutical for tumour diagnosis. The next step will be to evaluate the quality of tumour SPECT images provided by 131 I-Ph. (author)

  11. Kinetic α secondary deuterium isotope effects for O-ethyl S-phenyl benzaldehyde acetal hydrolysis

    International Nuclear Information System (INIS)

    Ferraz, J.P.; Cordes, E.H.

    1979-01-01

    The rate of hydrolysis of O-ethyl S-phenyl benzaldehyde acetal at 25 0 C in 20% dioxane--80% water is independent of pH over the range pH6-12; k/sub obsd/ = 1.9 x 10 -7 s -1 . Under more acidic conditions, the rate increases linearly with the activity of the hydrated proton; k 2 = 2.95 x 10 -2 M -1 s -1 . The kinetic α secondary deuterium isotope effect for acid-catalyzed hydrolysis of O-ethyl S-phenyl benzaldehyde acetal, measured at 25 0 C in 20% aqueous dioxane containing 0.05 M HCl, is k/sub H//k/sub D/ = 1.038 +- 0.008, a value consistent with a transition state in which the C--S bond is stretched rather little. In contrast, the corresponding isotope effect for the pH-independent hydrolysis of this substrate, measured at 42.5 0 C in 20% dioxane, is 1.13 +- 0.02, a value consistent with complete C--S bond cleavage in the transition state and rate-determining diffusion apart of the ion-pair formed as the initial intermediate, in accord with the suggestion of Jensen and Jencks. 1 figure, 4 tables

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

    Science.gov (United States)

    Mohamed Subarkhan, M; Ramesh, R

    2015-03-05

    A new series of binuclear ruthenium(III) thiosemicarbazone complexes of general formula [(EPh3)2(X)2Ru-L-Ru(X)2(EPh3)2] (where E=P or As; X=Cl or Br; L=NS chelating bis(thiosemicarbazone ligands) has been synthesized and characterized by analytical and spectral (FT-IR, UV-Vis and EPR). IR spectra show that the thiosemicarbazones behave as monoanionic bidentate ligands coordinating through the azomethine nitrogen and thiolate sulphur. The electronic spectra of the complexes indicate that the presence of d-d and intense LMCT transitions in the visible region. The complexes are paramagnetic (low spin d(5)) in nature and all the complexes show rhombic distortion around the ruthenium ion with three different 'g' values (gx≠gy≠gz) at 77K. All the complexes are redox active and exhibit an irreversible metal centered redox processes (Ru(III)-Ru(III)/Ru(IV)-Ru(IV); Ru(III)-Ru(III)/Ru(II)-Ru(II)) within the potential range of 0.38-0.86V and -0.39 to -0.66 V respectively, versus Ag/AgCl. Further, the catalytic efficiency of one of the complexes [Ru2Cl2(AsPh3)4(L1)] (4) has been investigated in the case of oxidation of primary and secondary alcohols into their corresponding aldehydes and ketones in the presence of N-methylmorpholine-N-oxide(NMO) as co-oxidant. The formation of high valent Ru(V)O species is proposed as catalytic intermediate for the catalytic cycle. Copyright © 2014 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

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

    2013-10-01

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

  14. Ultrasonic-bath-assisted preparation of mononuclear copper(I) thiosemicarbazone complex particles: crystal structure, characterization and antimicrobial activity

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Shahsavani, E.; Feizi, N.; Kučeráková, Monika; Dušek, Michal; Mazandarani, R.; Amiri, A.

    2017-01-01

    Roč. 20, č. 2 (2017), s. 125-131 ISSN 1631-0748 R&D Projects: GA MŠk LO1603; GA ČR(CZ) GA15-12653S EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : thiosemicarbazone * copper(I) complex * spectroscopy * X-ray crystallography Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.879, year: 2016

  15. Synthesis, spectral and thermal studies of some lanthanide(III) complexes of 4-[N-(benzalidene) amino] antipyrine thiosemicarbazone

    International Nuclear Information System (INIS)

    Singh, Lakshman; Tyagi, Neelam; Dhaka, Naresh P.; Sindhu, S.K.

    1999-01-01

    A new series of sixteen lanthanide(III) complexes of 4[N-(benzalidene) amino] antipyrine thiosemicarbazone (BAAPTS) with the general composition LnX 3 .n(BAAPTS) (X =Cl - , n = 2; X = NO -3 , n = 1; Ln = La, Pr, Nd, Sm, Gd, Tb, Dy and Ho) have been synthesized and characterized by chemical analysis, conductance, molar weight, magnetic moments measurements, infrared and electronic spectra. The ligand BAAPTS behaves as neutral tridentate (N, N, S) ligand. The probable coordination number is nine in these complexes. (author)

  16. Copper, nickel and zinc complexes of a new water-soluble thiosemicarbazone ligand: Synthesis, characterization, stability and biological evaluation

    Czech Academy of Sciences Publication Activity Database

    Hosseini-Yazdi, S.A.; Mirzaahmadi, A.; Khandar, A.A.; Mahdavi, M.; Rahimian, A.; Eigner, Václav; Dušek, Michal; Zarrini, G.

    2017-01-01

    Roč. 248, Dec (2017), s. 658-667 ISSN 0167-7322 R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠk(CZ) LO1603 EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : cytotoxicity * thiosemicarbazone * water-soluble Schiff base * stability * antioxidant * crystal structure Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.648, year: 2016

  17. Synthesis, Reactivity and Biological Activity of Novel Bisbenzofuran-2-yl-Methanone Derivatives

    Directory of Open Access Journals (Sweden)

    Cavit Kazaz

    2005-11-01

    Full Text Available Preparation of bisbenzofuran-2-yl-methanone (1, the corresponding ketoxime 4, semicarbazone and thiosemicarbazone 3a and 3b, ether derivatives of the ketoximes 5a-j and the alcohol 2 are described. These substances have been prepared in excellent yields. All the synthesized compounds except 5i have been tested against five different microorganisms and some of them were found to be active against some of the species studied.

  18. Enzymatic reduction of 4-(dimethylamino)benzaldehyde with carrot bits (Daucus carota): a simple experiment for understanding biocatalysis

    International Nuclear Information System (INIS)

    Omori, Alvaro Takeo; Portas, Viviane Barbosa; Oliveira, Camila de Souza de

    2012-01-01

    The present paper describes a simple, low-costly and environmentally friendly procedure for reduction of 4-(dimethylamino)benzaldehyde using carrot bits in water. This interdisciplinary experiment can be used to introduce the concepts of biocatalysis and green chemistry to undergraduate students. (author)

  19. Highly selective oxidation of styrene to benzaldehyde over a tailor-made cobalt oxide encapsulated zeolite catalyst.

    Science.gov (United States)

    Liu, Jiangyong; Wang, Zihao; Jian, Panming; Jian, Ruiqi

    2018-05-01

    A tailor-made catalyst with cobalt oxide particles encapsulated into ZSM-5 zeolites (Co 3 O 4 @HZSM-5) was prepared via a hydrothermal method with the conventional impregnated Co 3 O 4 /SiO 2 catalyst as the precursor and Si source. Various characterization results show that the Co 3 O 4 @HZSM-5 catalyst has well-organized structure with Co 3 O 4 particles compatibly encapsulated in the zeolite crystals. The Co 3 O 4 @HZSM-5 catalyst was employed as an efficient catalyst for the selective oxidation of styrene to benzaldehyde with hydrogen peroxide as a green and economic oxidant. The effect of various reaction conditions including reaction time, reaction temperature, different kinds of solvents, styrene/H 2 O 2 molar ratio and catalyst dosage on the catalytic performance were systematically investigated. Under the optimized reaction condition, the yield of benzaldehyde can achieve 78.9% with 96.8% styrene conversion and 81.5% benzaldehyde selectivity. Such an excellent catalytic performance can be attributed to the synergistic effect between the confined reaction environment and the proper acidic property. In addition, the reaction mechanism with Co 3 O 4 @HZSM-5 as the catalyst for the selective oxidation of styrene to benzaldehyde was reasonably proposed. Copyright © 2018 Elsevier Inc. All rights reserved.

  20. Quantification of brown dog tick repellents, 2-hexanone and benzaldehyde, and release from tick-resistant beagles, Canis lupus familiaris

    Science.gov (United States)

    We have recently shown that repellency of the tick Rhipicephalus sanguineus sensu lato by the tick resistant dog breed Beagle is mediated by volatile organic compounds 2-hexanone and benzaldehyde present in Beagle dog odour. Ectoparasite location on animal hosts is affected by variation in odour com...

  1. Thiosemicarbazone Dynamic Combinatorial Chemistry: Equilibrator-Induced Dynamic State, Formation of Complex Libraries, and a Supramolecular On/Off Switch.

    Science.gov (United States)

    Larsen, Dennis; Jeppesen, Anne; Kleinlein, Claudia; Pittelkow, Michael

    2017-08-18

    Dynamic combinatorial libraries that equilibrate under thermodynamic control and can be trapped kinetically when desired are key to creating complex systems that can mimic dynamic biological systems, such as the biochemical system of life. A much-sought-after feature is the ability to turn off the dynamic exchange of the system, in order to investigate a transient state away from thermodynamic equilibrium, and then turn on the dynamic exchange again. We describe here the first use of thiosemicarbazone exchange to form dynamic combinatorial libraries. The libraries were found to require a nucleophilic catalyst, or equilibrator, in order to reach thermodynamic equilibrium. This equilibrator approach adds a supramolecular level of control over the dynamic system and allows the dynamic exchange to be turned off by addition of 18-crown-6, which binds the equilibrator in a nonnucleophilic complex. The dynamic exchange can be restarted by addition of potassium ions that competitively bind 18-crown-6, thus liberating the equilibrator. The highly complex thiosemicarbazone-based macrocyclic libraries contain both [2]catenanes and sequence isomers, which can be distinguished by HPLC-MS/MS.

  2. Comparative evaluation of Bis(thiosemicarbazone)- Biotin and Met-ac-TE3A for tumor imaging

    Science.gov (United States)

    Singh, Sweta; Tiwari, Anjani K.; Varshney, Raunak; Mathur, R.; Shukla, Gauri; Bag, N.; Singh, B.; Mishra, Anil K.

    2016-01-01

    2,2‧,2″-(11-(2-((4-mercapto-1-methoxy-1-oxobutan-2-yl)amino)-2-oxoethyl)-1,4,8,11-tetraaza cyclotetradecane-1,4,8-triyl)triacetic acid, Met-ac-TE3A and (E)-N-methyl-2-((E)-3-(2-(2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)hydrazinecarbono-thioyl)hydrazonobutan-2-ylidene)hydrazinecarbothioamide, Bis(thiosemicarbazone)- Biotin were synthesized and evaluated for imaging application. The pharmacokinetics of these ligands were determined by tracer methods. In vitro human serum stability of 99mTc Met-ac-TE3A/99mTc Bis(thiosemicarbazone)-Biotin after 24 h was found to be 96.5% and 97.0% respectively. Blood kinetics of both ligands in normal rabbits showed biphasic clearance pattern. Ex vivo biodistribution study revealed significant initial tumor uptake and high tumor/muscles ratio which is a pre-requisite condition for a ligand to work as SPECT-radiopharmaceutical for tumor imaging.

  3. Cytotoxicity study of dimethylisatin and its heterocyclic derivatives

    Directory of Open Access Journals (Sweden)

    Mohammad Mamun Hossain

    2007-06-01

    Full Text Available Isatin derivatives are bioactive molecules. To study the cytotoxicity and eventually the anticancer activities against cancer cell lines, a series of dimethyl-substitituted isatin derivatives (4-8 starting from isatin thiosemicarbazones (3 had been synthesized in high yields. Investigation of the cytotoxicity of these compounds was carried out against brine shrimp by lethality bioassay. The present study shows that compounds 4, 5, 6 and 8/ with heterocyclic moiety had pronounced cytotoxicity whereas 7, 7/ and 8 were moderately active. It is remarkable that the substituent, X = -OCH3 has greater activity than the bromine atom in this series.

  4. In vitro reactivation of latent HIV-1 by cytostatic bis(thiosemicarbazonate) gold(III) complexes.

    Science.gov (United States)

    Fonteh, Pascaline; Meyer, Debra

    2014-12-11

    A number of cytostatic agents have been investigated for the ability to reactivate latent viral reservoirs, which is a major prerequisite for the eradication of HIV-1 infection. Two cytostatic bis(thiosemicarbazonate) gold(III) complexes (designated 1 and 2) were tested for this potential in the U1 latency model of HIV-1 infection. Cell viability in the presence or absence of 1 and 2 was determined using a tetrazolium dye and evidence of reactivation was assessed by p24 antigen capture following exposure to a latency stimulant, phorbol myristate acetate (PMA) and or test compounds. The latency reactivation mechanism was explored by determining the effect of the complexes on protein kinase C (PKC), histone deacetylases (HDAC) and proinflammatory cytokine production. The CC50 of the complexes in U1 cells were 0.53 ± 0.12 μM for 1 and 1.0 ± 0.4 μM for 2. In the absence of PMA and at non toxic concentrations of 0.2 and 0.5 μM, 1 and 2 significantly (p ≤ 0.02) reactivated virus in U1 cells by 2.7 and 2.3 fold respectively. In comparison, a 2.6 fold increase (p = 0.03) in viral reactivation was observed for hydroxyurea (HU), which was used as a cytostatic and latent HIV reactivation control. Viral reactivation was absent for the complexes during co-stimulation with PMA indicating the lack of an additive effect between the chemicals as well as an absence of inhibition of PMA induced HIV reactivation but for HU inhibition of the stimulant's activity was observed (p = 0.01). Complex 1 and 2 activated PKC activity by up to 32% (p reactivation of virus by the complexes may have been due to contributions from the latter and the activation of PKC. The ethyl group structural difference between 1 and 2 seems to influence bioactivity with lower active concentrations of 1, suggesting that further structural modifications should improve specificity. The cytostatic effect of 1 and 2 and now HIV reactivation from a U1 latency model is consistent with

  5. Studies on crystal growth and physical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline single crystal

    Science.gov (United States)

    Jebin, R. P.; Suthan, T.; Rajesh, N. P.; Vinitha, G.; Dhas, S. A. Britto

    2016-07-01

    The organic material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline has been grown by slow evaporation technique. Single crystal and Powder X-ray diffraction studies have been carried out to conform the grown crystal. FTIR and FT-Raman spectra were recorded to identify the functional groups present in the crystal. The optical property of the grown crystal was analysed by UV-Vis-NIR measurement. The thermal property of the grown crystal was analysed by thermogravimetric (TG) and differential thermal analyses (DTA). Thermal diffusivity of the grown crystal was analysed by Photo acoustic spectroscopic (PAS) studies. The third order nonlinear optical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline was measured by the Z-scan technique using 532 nm diode pumped continuous wave (CW) Nd:YAG laser. The mechanical property of the grown crystal was analysed by using microhardness studies.

  6. Hydrogenation of benzaldehyde via electrocatalysis and thermal catalysis on carbon-supported metals

    Energy Technology Data Exchange (ETDEWEB)

    Song, Yang; Sanyal, Udishnu; Pangotra, Dhananjai; Holladay, Jamie D.; Camaioni, Donald M.; Gutiérrez, Oliver Y.; Lercher, Johannes A.

    2018-03-01

    Abstract Selective reduction of benzaldehyde to benzyl alcohol on C-supported Pt, Rh, Pd, and Ni in aqueous phase was conducted using either directly H2 (thermal catalytic hydrogenation, TCH) or in situ electrocatalytically generated hydrogen (electrocatalytic hydrogenation, ECH). In TCH, the intrinsic activity of the metals at room temperature and 1 bar H2 increased in the sequence Rh/C < Pt/C < Pd/C, while Ni/C is inactive at these conditions due to surface oxidation in the absence of cathodic potential. The reaction follows a Langmuir-Hinshelwood mechanism with the second hydrogen addition to the adsorbed hydrocarbon being the rate-determining step. All tested metals were active in ECH of benzaldehyde, although hydrogenation competes with the hydrogen evolution reaction (HER). The minimum cathodic potentials to obtain appreciable ECH rates were identical to the onset potentials of HER. Above this onset, the relative rates of H reacting to H2 and H addition to the hydrocarbon determines the selectivity to ECH and TCH. Accordingly, the selectivity of the metals towards ECH increases in the order Ni/C < Pt/C < Rh/C < Pd/C. Pd/C shows exceptionally high ECH selectivity due to its surprisingly low HER reactivity under the reaction conditions. Acknowledgements The authors would like to thank the groups of Hubert A. Gasteiger at the Technische Universität München of Jorge Gascon at the Delft University of Technology for advice and valuable discussions. The authors are grateful to Nirala Singh, Erika Ember, Gary Haller, and Philipp Rheinländer for fruitful discussions. We are also grateful to Marianne Hanzlik for TEM measurements and to Xaver Hecht and Martin Neukamm for technical support. Y.S. would like to thank the Chinese Scholarship Council for the financial support. The research described in this paper is part of the Chemical Transformation Initiative at Pacific Northwest National Laboratory (PNNL), conducted under the Laboratory Directed Research and

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

    Science.gov (United States)

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

    2013-10-01

    Novel N(3)-substituted 9,10-Phenanthrenequinone thiosemicarbazones and their copper, nickel and palladium complexes are structurally characterized and reported along with the single crystal X-ray structures of three ligands and one nickel complex. All compounds were evaluated for their antiproliferative potential against Triple Negative Breast Cancer (TNBC) cells which have poor prognosis and no effective drugs to treat with. All compounds exhibited antiproliferative activity against these cells. Among the metal complexes evaluated, redox active copper complexes were found to be more potent. The possible mechanism for such enhanced activity can be attributed to the generation of oxidative stress, which was amenable for targeting through metal complexation. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Combining molecular docking and QSAR studies for modeling the anti-tyrosinase activity of aromatic heterocycle thiosemicarbazone analogues

    Science.gov (United States)

    Dong, Huanhuan; Liu, Jing; Liu, Xiaoru; Yu, Yanying; Cao, Shuwen

    2018-01-01

    A collection of thirty-six aromatic heterocycle thiosemicarbazone analogues presented a broad span of anti-tyrosinase activities were designed and obtained. A robust and reliable two-dimensional quantitative structure-activity relationship model, as evidenced by the high q2 and r2 values (0.848 and 0.893, respectively), was gained based on the analogues to predict the quantitative chemical-biological relationship and the new modifier direction. Inhibitory activities of the compounds were found to greatly depend on molecular shape and orbital energy. Substituents brought out large ovality and high highest-occupied molecular orbital energy values helped to improve the activity of these analogues. The molecular docking results provided visual evidence for QSAR analysis and inhibition mechanism. Based on these, two novel tyrosinase inhibitors O04 and O05 with predicted IC50 of 0.5384 and 0.8752 nM were designed and suggested for further research.

  9. Cu(II) bis(thiosemicarbazone) radiopharmaceutical binding to serum albumin: further definition of species dependence and associated substituent effects

    Energy Technology Data Exchange (ETDEWEB)

    Basken, Nathan E. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States); Green, Mark A. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: magreen@purdue.edu

    2009-07-15

    Introduction: The pyruvaldehyde bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and diacetyl bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-ATSM) radiopharmaceuticals exhibit strong, species-dependent binding to the IIA site of human serum albumin (HSA), while the related ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) radiopharmaceutical appears to exhibit only nonspecific binding to HSA and animal serum albumins. Methods: To further probe the structural basis for the species dependence of this albumin binding interaction, we examined protein binding of these three radiopharmaceuticals in solutions of albumin and/or serum from a broader array of mammalian species (rat, sheep, donkey, rabbit, cow, pig, dog, baboon, mouse, cat and 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.

  10. 3-methylcyclohexanone thiosemicarbazone: determination of E/Z isomerization barrier by dynamic high-performance liquid chromatography, configuration assignment and theoretical study of the mechanisms involved by the spontaneous, acid and base catalyzed processes.

    Science.gov (United States)

    Carradori, Simone; Cirilli, Roberto; Dei Cicchi, Simona; Ferretti, Rosella; Menta, Sergio; Pierini, Marco; Secci, Daniela

    2012-12-21

    Here, we report on the simultaneous direct HPLC diastereo- and enantioseparation of 3-methylcyclohexanone thiosemicarbazone (3-MCET) on a polysaccharide-based chiral stationary phase under normal-phase conditions. The optimized chromatographic system was employed in dynamic HPLC experiments (DHPLC), as well as detection technique in a batch wise approach to determine the rate constants and the corresponding free energy activation barriers of the spontaneous, base- and acid-promoted E/Z diastereomerization of 3-MCET. The stereochemical characterization of four stereoisomers of 3-MCET was fully accomplished by integrating the results obtained by chemical correlation method with those derived by theoretical calculations and experimental investigations of circular dichroism (CD). As a final goal, a deepened analysis of the perturbing effect exercised by the stationary phase on rate constant values measured through DHPLC determinations as a function of the chromatographic separation factor α of the interconverting species was successfully accomplished. This revealed quite small deviations from the equivalent kinetic values obtained by off-column batch wise procedure, and suggested a possible effective correction of rate constants measured by DHPLC approach. Copyright © 2012 Elsevier B.V. All rights reserved.

  11. DNA-binding, catalytic oxidation, C—C coupling reactions and antibacterial activities of binuclear Ru(II thiosemicarbazone complexes: Synthesis and spectral characterization

    Directory of Open Access Journals (Sweden)

    Arumugam Manimaran

    2012-07-01

    Full Text Available New hexa-coordinated binuclear Ru(II thiosemicarbazone complexes of the type {[(B(EPh3(COClRu]2L} (where, E = P or As; B = PPh3 or AsPh3 or pyridine; L = mononucleating NS donor of N-substituted thiosemicarbazones have been synthesized and characterized by elemental analysis, FT-IR, UV–vis and 31P{1H} NMR cyclic voltammetric studies. The DNA-binding studies of Ru(II complexes with calf thymus DNA (CT-DNA were investigated by UV–vis, viscosity measurements, gel-electrophoresis and fluorescence spectroscopy. The new complexes have been used as catalysts in C—C coupling reaction and in the oxidation of alcohols to their corresponding carbonyl compounds by using NMO as co-oxidant and molecular oxygen (O2 atmosphere at ambient temperature. Further, the new binucleating thiosemicarbazone ligands and their Ru(II complexes were also screened for their antibacterial activity against Klebsiella pneumoniae, Shigella sp., Micrococcus luteus, Escherichia coli and Salmonella typhi. From this study, it was found out that the activity of the complexes almost reaches the effectiveness of the conventional bacteriocide.

  12. Synthesis, crystal structure and antiproliferative mechanisms of 2-acetylpyridine-thiosemicarbazones Ga(III) with a greater selectivity against tumor cells.

    Science.gov (United States)

    Qi, Jinxu; Zheng, Yunyun; Qian, Kun; Tian, Liang; Zhang, Guo-Xin; Cheng, Zhen; Wang, Yihong

    2017-12-01

    Thiosemicarbazone Ga(III) complexes (C3-C5) were synthesized and characterized by X-ray single crystal diffraction, and they were all 1:1 ligand/Ga(III) complexes. The antiproliferative activity of these Ga(III) complexes was tested against three cancer cell lines, demonstrating that Ga(III) complexes showed about 3-10 folds more anticancer activity than their ligands alone. Importantly, thiosemicarbazones and Ga(III) complexes have a low toxicity to human fetal lung fibroblast cells (MRC-5) and exhibit a high therapeutic index for tumor cells. The results of UV-visible spectroscopy showed that the binding constant of C4 with Topo-I-DNA was significantly higher than that of L4. The Ga(III) complex (C4) caused Topo-I inhibition and distinct DNA cleavage. Moreover, Ga(III) complex and thiosemicarbazone ligand prolonged the G1 phase in NCI-H460 cell cycle, which might be depended on the ability of these compounds to affect the expression of cell cycle related proteins. Copyright © 2017 Elsevier Inc. All rights reserved.

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

    Directory of Open Access Journals (Sweden)

    Sulaiman Ab Ghani

    2012-11-01

    Full Text Available 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.

  14. Synthesis, characterization, thermogravimetry, and structural study of uranium complexes derived from dibasic S-alkylated thiosemicarbazone ligands

    Czech Academy of Sciences Publication Activity Database

    Fasihizad, A.; Barak, T.; Ahmadi, M.; Dušek, Michal; Pojarová, Michaela

    2014-01-01

    Roč. 67, č. 12 (2014), s. 2160-2170 ISSN 0095-8972 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : uranium complex * isothiosemicarbazone * crystallography * spectra * thermal stability Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.012, year: 2014

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

    Science.gov (United States)

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

    2014-01-01

    Severe fever with thrombocytopenia syndrome (SFTS) is an emerging infectious disease caused by SFTS virus with 12–30% fatality rate. Despite severity of the disease, any medication or treatment for SFTS has not developed yet. One approach to prevent SFTS spreading is to control the arthropod vector carrying SFTS virus. We report that 2–methylbenzaldehyde analogues from M. officinalis have a dual function as acaricide against Dermatophagoides spp. and Haemaphysalis longicornis and indicator (color change) against Dermatophagoides spp. Based on the LD50 values, 2,4,5–trimethylbenzaldehyde (0.21, 0.19, and 0.68 μg/cm3) had the highest fumigant activity against D. farinae, D. pteronyssinus, and H. longicornis, followed by 2,3–dimethylbenzaldehyde (0.46, 0.44, and 0.79 μg/cm3), 2,4–dimethylbenzaldehyde (0.66, 0.59, and 0.95 μg/cm3), 2,5–dimethylbenzaldehyde (0.65, 0.68, and 0.88 μg/cm3), 2–methylbenzaldehyde (0.95, 0.87, and 1.28 μg/cm3), 3–methylbenzaldehyde (0.99, 0.93, and 1.38 μg/cm3), 4–methylbenzaldehyde (1.17, 1.15, and 3.67 μg/cm3), and M. officinalis oil (7.05, 7.00, and 19.70 μg/cm3). Furthermore, color alteration of Dermatophagoides spp. was shown to be induced, from colorless to dark brown, by the treatment of 2,3–dihydroxybenzaldehyde. These finding indicated that 2–methylbenzaldehyde analogues could be developed as functional agent associated with the arthropod vector of SFTS virus and allergen. PMID:25434408

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

    Directory of Open Access Journals (Sweden)

    Artavazd Badalyan

    2014-11-01

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

  17. Effects of HCl and HNO3 on the oxidation of toluene to benzaldehyde by H2O2 over TS-1 modified with Al in aqueous phase

    Directory of Open Access Journals (Sweden)

    Paricha Pongjirawat

    2014-09-01

    Full Text Available This research studies effects of HCl and HNO3 in aqueous solution on the oxidation reaction between toluene and hydrogen peroxide to benzaldehyde over titanium silicalite-1 catalyst modified with Al. The reaction was carried out at reaction temperature 120°C in a pressurized autoclave reactor. The research found that the addition of HCl and HNO3 not only increases the concentration of toluene in the aqueous phase but also increases the formation of benzaldehyde as main product in the reaction.

  18. New potentiometric transducer based on a Mn(II) [2-formylquinoline thiosemicarbazone] complex for static and hydrodynamic assessment of azides.

    Science.gov (United States)

    Kamel, Ayman H

    2015-11-01

    A new potentiometric transducer for selective recognition of azide is characterized and developed. The PVC plasticized based sensor incorporates Mn(II) [2-formylquinoline thiosemicarbazone] complex in the presence of tri dodecyl methyl ammonium chloride (TDMAC) as a lipophilic cationic additive. The sensor displayed a near-Nernstian response for azide over 1.0×10(-2)-1.0×10(-5) mol L(-1), with an anionic slope of -55.8±0.6 mV decade(-1) and lower limit of detection 0.34 µg mL(-1). The sensor was pH independent in the range 5.5-9 and presented good selectivity features towards several inorganic anions, and it is easily used in a flow injection system and compared with a tubular detector. The intrinsic characteristics of the detector in a low dispersion manifold were determined and compared with data obtained under a hydrodynamic mode of operation. This simple and inexpensive automation, with a good potentiometric detector, enabled the analysis of ~33 samples h(-1) without requiring pre-treatment procedures. The proposed method is also applied to the analysis of trace levels of azide in primer mixtures. Significantly improved accuracy, precision, response time, stability and selectivity were offered by these simple and cost-effective potentiometric sensor compared with other standard techniques. The method has the requisite accuracy, sensitivity and precision to determine azide ions. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Synthesis and evaluation of isatin-β-thiosemicarbazones as novel agents against antibiotic-resistant Gram-positive bacterial species.

    Science.gov (United States)

    Zhang, Xu-Meng; Guo, Hui; Li, Zai-Shun; Song, Fu-Hang; Wang, Wei-Min; Dai, Huan-Qin; Zhang, Li-Xin; Wang, Jian-Guo

    2015-08-28

    Methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Enterococcus (VRE) have caused an increasing mortality rate, which means that antibiotic resistance is becoming an important health issue. In the course to screen new agents for resistant bacteria, we identified that a series of isatin-β-thiosemicarbazones (IBTs) could inhibit the growth of MRSA and VRE. This was the first time that the "familiar" IBT compounds exhibited significant anti Gram-positive pathogen activity. Against a clinical isolated MRSA strain, 20 of the 51 synthesized compounds showed minimum inhibitory concentration (MIC) data of 0.78 mg/L and another 12 novel compounds had MICs of 0.39 mg/L. Moreover, these compounds also inhibited Enterococcus faecalis and VRE at similar levels, indicating that IBTs might have different mode of action compared with vancomycin. For these IBTs, comparative field analysis (CoMFA) models were further established to understand the structure-activity relationships in order to design new compounds from steric and electrostatic contributions. This work has suggested that IBTs can be considered as potential lead compounds to discover antibacterial inhibitors to combat drug resistance. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  20. Novel 2-pyridinecarboxaldehyde thiosemicarbazones Ga(III) complexes with a high antiproliferative activity by promoting apoptosis and inhibiting cell cycle.

    Science.gov (United States)

    Qi, Jinxu; Deng, Jungang; Qian, Kun; Tian, Liang; Li, Jiaming; He, Kunhuan; Huang, Xueren; Cheng, Zhen; Zheng, Yunyun; Wang, Yihong

    2017-07-07

    Two types of 2-pyridinecarboxaldehyde thiosemicarbazones Ga(III) complexes, which are 2:1 and 1:1 ligand/Ga(III) complexes, were synthesized and determined by X-ray single crystal diffraction. The antiproliferative activity of these Ga(III) complexes have been examined to illuminate the structure-activity relationships essential to form Ga(III) complexes with remarkable anticancer activity. In addition, Ga(III) complexes where the metal/ligand ratio was 1:1 (C4) had observably higher antiproliferative activity than 1:2 (C3). Ga(III) complexes caused a marked increase of caspase-3 and 9 activity in NCI-H460 cells compared to the metal free ligand. Caspase activation was somewhat mediated by the release of Cyt C from mitochondria after incubation with selected agents. Both types of Ga(III) complexes showed more effective in inhibition of the G1/S transition than the ligand alone. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

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

    Science.gov (United States)

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

    2010-04-01

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

  2. Spectrophotometric analysis of Cis-platin injection and Lead containing cosmetics using 2-acetylpyridine-4 - phenyl -3- thiosemicarbazone as complexing reagent

    International Nuclear Information System (INIS)

    Arain, G.M.; Laghari, A.J.; Khuhawar, M.Y.

    2003-01-01

    The reaction of reagent 2- acetylpyridine - 4 - phenyl -3 -thiosemicarbazone (APPT) was examined towards platinum (ii), gold (III), vanadium (V), ruthenium (IV), Tellurium (VI), arsenic (III) and lead (II) spectrophotometrically. The reaction were carried out in slightly acidic to neutral media and indicated molar absorptivity in range 9.6 x 10/sup 2/ to 2.2 x 10/sup 4/ L. mole/sup -1/ cm/sup -1/ between 370 to 435 nm. Each of the complex obeyed the beer's Law. The method was used for analysis of anticancer drug cis-platin and cosmetic (Surma) for the contents of platinum (II) and lead (II) respectively. (author)

  3. Synthesis of some Mannich bases of 1-cyclohexylidene-N(1,2-dihydro-2-oxo-3H-indol-3-ylidene) thiosemicarbazones and their antibacterial activity.

    Science.gov (United States)

    Gupta, R P; Narayana, N L

    1997-02-01

    Some Mannich bases of 1-cyclohexylidene-N(1,2-dihydro-2-oxo-3H-indol-3- ylidene) thiosemicarbazones have been prepared by employing formaldehyde and morpholine and piperidine as secondary amines. These Mannich bases have been characterised on the basis of different physico chemical evidences. Like some alkaloids, they also form reineckate complexes which serve for their estimation. Antibacterial activity of the synthesised Mannich bases has been studied by employing nine bacterial strains. Chloro group at position 5 broadened the spectrum of activity. Compounds with piperidine showed better activity than the compounds with morpholine, against almost all the organisms used (except 1 or 2 occasions).

  4. New heteroleptic Zn(II) complexes of thiosemicarbazone and diimine Co-Ligands: Structural analysis and their biological impacts

    Science.gov (United States)

    Mathan Kumar, Shanmugaiah; Kesavan, Mookkandi Palsamy; Vinoth Kumar, Gujuluva Gangatharan; Sankarganesh, Murugesan; Chakkaravarthi, Ganesan; Rajagopal, Gurusamy; Rajesh, Jegathalaprathaban

    2018-02-01

    A thiosemicarbazone ligand HL appended new Zn(II) complexes [Zn(L)(bpy)] (1) and [Zn(L)(phen)] (2) (where, HL = {2-(3-bromo-5-chloro-2-hydroxybenzylidene)-N-phenylhydrazinecarbothioamide}, bpy = 2, 2‧-bipyridine and phen = 1, 10-phenanthroline) have been synthesized and well characterized using conventional spectroscopic techniques viz.,1H NMR, FTIR and UV-Vis spectra. The crystal structures of complexes 1 and 2 have been determined by single crystal X-ray diffraction studies. Both the complex 1 (τ = 0.5) and 2 (τ = 0.37) possesses square based pyramidally distorted trigonal bipyramidal geometry. The ground state electronic structures of complexes 1 and 2 were investigated by DFT/B3LYP theoretical analysis using 6-311G (d,p) and LANL2DZ basis set level. The superior DNA binding ability of complex 2 has been evaluated using absorption and fluorescence spectral titration studies. Antimicrobial evaluation reveals that complex 2 endowed better screening than HL and complex 1 against both bacterial as well as fungal species. Consequently, complex 2 possesses highest antibacterial screening against Staphylococcus aureus (MIC = 3.0 ± 0.23 mM) and antifungal screening against Candida albicans (MIC = 6.0 ± 0.11 mM). Furthermore, the anticancer activity of the ligand HL, complexes 1 and 2 have been examined against the MCF-7 cell line (Human breast cancer cell line) using MTT assay. It is remarkable that complex 2 (12 ± 0.67 μM) show highest anticancer activity than HL (25.0 ± 0.91 μM) and complex 1 (15 ± 0.88 μM) due to the presence of phen ligand moiety.

  5. Thiosemicarbazones and hydrazones of alpha-methylchalkone as potential chemotherapeutic agents.

    Science.gov (United States)

    Prescott, B

    1975-06-01

    The effectiveness of chalkones and derivatives as antibacterial and antifungal agents stimulated our interest in the possibility of coupling this type of compound with certain hydrazines and thiosemicarbazides to determine the potential chemotherapeutic activity of these combinations as anticancer and antimalarial agents. Accordingly, 18 hydrazine and thiosemicarbazide derivatives of alpha-methylchalkone (dypnone) have been synthesized for study as potential antitumor agents in animal tumor systems against Walker 256 carcinosarcoma (intramuscular) and leukemia L-1210 and for antimalarial activity against Plasmodium berghei in experimentally infected mice. Of the series of chalkone derivatives, significant inhibition in preliminary tests against the Walker 256 carcinosarcoma (intramuscular) rat tumor system was exhibited by alpha-methylchalkone-1,4-phthalazinediyldihydrazone and showed activity in the leukemia 1210 mouse tumor system. The guanylhydrazone of alpha-methylchalkone showed good inhibition with confirmed activity against Plasmodium berghei in experimentally infected mice.

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

    Science.gov (United States)

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

    2011-07-01

    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.

  7. A New Iterative Approach for the Synthesis of Oligo(phenyleneethynediyl) Derivatives and Its Application for the Preparation of Fullerene-Oligo(phenyleneethynediyl) Conjugates as Active Photovoltaic Materials

    NARCIS (Netherlands)

    Nierengarten, Jean-François; Gu, Tao; Hadziioannou, Georges; Tsamouras, Dimitris; Krasnikov, Victor

    2004-01-01

    Disymmetrically substituted oligo(phenyleneethynediyl) (OPE) derivatives were prepared from 2,5-bis(octyloxy)-4-[(triisopropylsilyl)ethynyl]benzaldehyde (5) by an iterative approach using the following reaction sequence: i) Corey-Fuchs dibromoolefination, ii) treatment with an excess of lithium

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

    Science.gov (United States)

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

    2014-01-01

    Background The biological properties of thiosemicarbazone have been widely reported. The incorporation of some transition metals such as Fe, Ni and Cu to thiosemicarbazone complexes is known to enhance its biological effects. In this study, we incorporated nickel(II) ions into thiosemicarbazone with N4-substitution groups H3L (H; H3L1, CH3; H3L2, C6H5; H3L3 and C2H5; H3L4) and examined its potential anti-inflammatory activity. Methodology/Principal Findings Four ligands (1–4) and their respective nickel-containing complexes (5–8) were synthesized and characterized. The compounds synthesized were tested for their effects on NF-κB nuclear translocation, pro-inflammatory cytokines secretion and NF-κB 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 IκBα degradation and NF-κB p65 nuclear translocation in LPS-stimulated RAW264.7 cells as well as TNFα-stimulated HeLa S3 cells. In addition, complex 5 significantly down-regulated LPS- or TNFα-induced transcription of NF-κB target genes, including genes that encode the pro-inflammatory cytokines TNFα, IFNβ and IL6. Luciferase reporter assays confirmed that complex 5 inhibited the transactivation activity of NF-κB. 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 IKKβ. Taken together, we suggest complex 5 as a novel NF-κB inhibitor with potent anti-inflammatory effects. PMID:24977407

  9. Synthesis and Characterization of 4-Benzyloxybenzaldehyde-4-methyl-3-thiosemicarbazone (Containing Sulphur and Nitrogen Donor Atoms and Its Cd(II Complex

    Directory of Open Access Journals (Sweden)

    Lakshmi Narayana Suvarapu

    2015-12-01

    Full Text Available A chelating agent, 4-benzyloxybenzaldehyde-4-methyl-3-thiosemicarbazone (BBMTSC, containing sulphur and nitrogen donor atoms was synthesized and applied as a ligand for the chelation of Cd(II. Both the BBMTSC and its Cd(II complex were characterized by elemental analysis, UV-Vis absorption spectra, Fourier transform infrared spectroscopy (FT-IR, mass spectra, nuclear magnetic resonance spectroscopy (NMR, X-ray powder diffraction (XRD, and field emission scanning electron microscopy (FESEM. The FTIR spectra confirmed the formation of both BBMTSC and its Cd(II complex. XRD revealed the polycrystalline nature of the synthesized compounds. BBMTSC exhibited a flake-like micro-rod morphology, whereas the Cd(II complex had a flower-like nanorod structure.

  10. Preconcentration and atomic absorption spectrometric determination of cadmium, cobalt, copper, iron, lead, manganese, nickel and zinc in water samples using 6-methyl-2-pyridinecarboxaldehyde-4-phenyl-3-thiosemicarbazone

    International Nuclear Information System (INIS)

    Khuhawar, M.Y.; Das, P.; Dewani, V.K.

    2005-01-01

    The reagent 6-methyl-2-pyridinecarboxaldehyde-4-phenyl-3-thiosemicarbazone (MPAPT) has been examined for the pre-concentration of metal ions and determination using air acetylene flame atomic absorption spectrometer. The method is based on the complexation and extraction of cadmium (II), cobalt(III), copper(II), lead(II), nickel(II), iron(II), iron(II), manganese(II) and zinc(II) in chloroform. The metal iron are back extracted in nitric acid (1:1) or after evaporation of solvent the residue is digested in nitric acid. After necessary adjustment of volume the metal ions were determined in aqueous solution. Pre-concentration is obtained 10-25 times. Metal ions recovery was 95.4-100.8% with coefficient of variation 0.2-7.5%. The method used for the determination of metals in canal and sewerage waters, within 2-6433 mu g/L with C. V 0.-5.2%. (author)

  11. SYNTHESIS AND ANTITUMOR ACTIVITY OF COPPER, NICKEL AND COBALT COORDINATION COMPOUNDS WITH 1-(2-HYDROXYPHENYLETHANONE N(4-ALLYL-3-THIOSEMICARBAZONE

    Directory of Open Access Journals (Sweden)

    Vasilii GRAUR

    2015-12-01

    Full Text Available The paper presents the synthesis of the ligand 1-(2-hydroxyphenylethanone N(4-allyl-3-thiosemicarbazone (H2L and six coordination compounds of copper, nickel and cobalt with this ligand. The structure of thiosemicarbazone H2L was studied using 1H and 13С NMR spectroscopy. The synthesized coordination compounds were studied using elemental analysis, gravimetric analysis of water content, molar conductivity, and magnetochemistry. For H2L the antitumor activity towards human leukemia HL-60 cells and cervical cancer HeLa cells was determined. It was established that the substitution of hydrogen atom with methyl group in the azomethinic fragment leads to the growth of antitumor activity.SINTEZA ŞI ACTIVITATEA ANTITUMORALĂ A COMPUŞILOR COMPLECŞI AI CUPRULUI, NICHELULUI ŞI COBALTULUI CU N(4-ALIL-3-TIOSEMICARBAZONA 1-(2-HIDROXIFENILETANONEILucrarea conţine descrierea sintezei N(4-alil-3-tiosemicarbazonei 1-(2-hidroxifeniletanonei (H2L şi a şase compuşi coordinativi ai cuprului, nichelului şi cobaltului cu acest ligand. Structura tiosemicarbazonei H2L a fost stabilită în baza datelor spectroscopiei RMN 1H şi 13C. Compuşi coordinativi au fost studiaţi cu ajutorul analizei elementale, analizei gravimetrice a conţinutului de apă, conductivitaţii molare şi magnetochimiei. Pentru H2L a fost determinată activitatea antitumorală faţă de celulele leucemiei umane HL-60 şi ale cancerului cervical HeLa. S-a stabilit că înlocuirea atomului de hidrogen cu o grupare metil în fragmentul azomethinic conduce la creşterea activitaţii antitumorale.

  12. Theoretical analysis of the binding of iron(III) protoporphyrin IX to 4-methoxyacetophenone thiosemicarbazone via DFT-D3, MEP, QTAIM, NCI, ELF, and LOL studies.

    Science.gov (United States)

    Nkungli, Nyiang Kennet; Ghogomu, Julius Numbonui

    2017-07-01

    Thiosemicarbazones display diverse pharmacological properties, including antimalarial activities. Their pharmacological activities have been studied in depth, but little of this research has focused on their antimalarial mode of action. To elucidate this antimalarial mechanism, we investigated the nature of the interactions between iron(III) protoporphyrin IX (Fe(III)PPIX) and the thione-thiol tautomers of 4-methoxyacetophenone thiosemicarbazone (MAPTSC). Dispersion-corrected density functional theory (DFT-D3), the quantum theory of atoms in molecules (QTAIM), the noncovalent interaction (NCI) index, the electron localization function (ELF), the localized orbital locator (LOL), and thermodynamic calculations were employed in this work. Fe(III)PPIX-MAPTSC binding is expected to inhibit hemozoin formation, thereby preventing Fe(III)PPIX detoxification in plasmodia. Preliminary studies geared toward the identification of atomic binding sites in the thione-thiol tautomers of MAPTSC were carried out using molecular electrostatic potential (MEP) maps and conceptual DFT-based local reactivity indices. The thionic sulfur and the 2 N-azomethine nitrogen/thiol sulfur of, respectively, the thione and thiol tautomers of MAPTSC were identified as the most favorable nucleophilic sites for electrophilic attack. The negative values of the computed Fe(III)PPIX-MAPTSC binding energies, enthalpies, and Gibbs free energies are indicative of the existence and stability of Fe(III)PPIX-MAPTSC complexes. MAPTSC-Fe(III) coordinate bonds and strong hydrogen bonds (N-H···O) between the NH 2 group in MAPTSC and the C=O group in one propionate side chain of Fe(III)PPIX are crucial to Fe(III)PPIX-MAPTSC binding. QTAIM, NCI, ELF, and LOL analyses revealed a subtle interplay of weak noncovalent interactions dominated by dispersive-like van der Waals interactions between Fe(III)PPIX and MAPTSC that stabilize the Fe(III)PPIX-MAPTSC complexes.

  13. Selective liquid phase oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over γ-Al2O3 supported copper and gold nanoparticles

    International Nuclear Information System (INIS)

    Ndolomingo, Matumuene Joe; Meijboom, Reinout

    2017-01-01

    Highlights: • Cu and Au on γ-Al 2 O 3 catalysts were prepared and characterized. • Benzyl alcohol oxidation to benzaldehyde was performed by tert-butyl hydroperoxide in the absence of any solvent using the prepared catalysts. • The as prepared catalysts exhibited good performance in terms of conversion and selectivity towards benzaldehyde. • The kinetics of the reaction was investigated; k app was proportional to the amount of nano catalyst and oxidant present in the system. • The catalysts was recycled and reused with neither significant loss of activity nor selectivity. - Abstract: Benzyl alcohol oxidation to benzaldehyde was performed by tert-butyl hydroperoxide (TBHP) in the absence of any solvent using γ-Al 2 O 3 supported copper and gold nanoparticles. Li 2 O and ionic liquids were used as additive and stabilizers for the synthesis of the catalysts. The physico-chemical properties of the catalysts were characterized by atomic absorption spectroscopy (AAS), X-ray diffraction spectroscopy (XRD), N 2 absorption/desorption (BET), transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and temperature programmed reduction (TPR), whereas, the oxidation reaction was followed by gas chromatography with a flame ionization detector (GC-FID). The as prepared catalysts exhibited good catalytic performance in terms of conversion and selectivity towards benzaldehyde. The performance of the Au-based catalysts is significantly higher than that of the Cu-based catalysts. For both Cu and Au catalysts, the conversion of benzyl alcohol increased as the reaction proceeds, while the selectivity for benzaldehyde decreased. Moreover, the catalysts can be easily recycled and reused with neither significant loss of activity nor selectivity. A kinetic study for the Cu and Au-catalyzed oxidation of benzyl alcohol to benzyldehyde is reported. The rate at which the oxidation of benzyl alcohol is occurring as a function of

  14. An Efficient One-Pot Multicomponent Synthesis of 4-Aza-Podophyllotoxin Derivatives in Ionic Liquid

    Directory of Open Access Journals (Sweden)

    Hossein Naeimi

    2013-01-01

    Full Text Available A simple, green, and efficient procedure for the synthesis of 4-aza-podophyllotoxin derivatives by using a one-pot three-component reaction of benzaldehydes, 1,3-cyclohexanediones, and anilinolactones in the presence of catalytic amount of alum in 1-butyl-3-methylimidazolium triflate as green media is described. This reaction proceeded under mild conditions with the use of an inexpensive and readily available catalyst, high to excellent yields, and simple workup procedure.

  15. Synthesis of 4-aryl-3,4-dihydrocoumarin derivatives catalyzed by NbCl{sub 5}; Sintese de derivados 4-aril-3,4-di-hidrocuraminicos catalisada por NbCl{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Willian Henrique dos; Siqueira, Mayara de Souza; Silva-Filho, Luiz Carlos da, E-mail: lcsilva@fc.unesp.br [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Bauru, SP (Brazil). Faculdade de Ciencias

    2013-11-01

    Multicomponent reactions between phenols, {beta}-diesters and benzaldehydes for the synthesis of 4-aryl-3,4-dihydrocoumarin derivatives were carried out under mild conditions (room temperature) and presented moderate yields (38-88%) and reasonable reaction times (2-4 days), using niobium pentachloride as a catalyst. (author)

  16. Structure and mechanism of benzaldehyde dehydrogenase from Pseudomonas putida ATCC 12633, a member of the Class 3 aldehyde dehydrogenase superfamily.

    Science.gov (United States)

    Zahniser, Megan P D; Prasad, Shreenath; Kneen, Malea M; Kreinbring, Cheryl A; Petsko, Gregory A; Ringe, Dagmar; McLeish, Michael J

    2017-03-01

    Benzaldehyde dehydrogenase from Pseudomonas putida (PpBADH) belongs to the Class 3 aldehyde dehydrogenase (ALDH) family. The Class 3 ALDHs are unusual in that they are generally dimeric (rather than tetrameric), relatively non-specific and utilize both NAD+ and NADP+. To date, X-ray structures of three Class 3 ALDHs have been determined, of which only two have cofactor bound, both in the NAD+ form. Here we report the crystal structure of PpBADH in complex with NADP+ and a thioacyl intermediate adduct. The overall architecture of PpBADH resembles that of most other members of the ALDH superfamily, and the cofactor binding residues are well conserved. Conversely, the pattern of cofactor binding for the rat Class 3 ALDH differs from that of PpBADH and other ALDHs. This has been interpreted in terms of a different mechanism for the rat enzyme. Comparison with the PpBADH structure, as well as multiple sequence alignments, suggest that one of two conserved glutamates, at positions 215 (209 in rat) and 337 (333 in rat), would act as the general base necessary to hydrolyze the thioacyl intermediate. While the latter is the general base in the rat Class 3 ALDH, site-specific mutagenesis indicates that Glu215 is the likely candidate for PpBADH, a result more typical of the Class 1 and 2 ALDH families. Finally, this study shows that hydride transfer is not rate limiting, lending further credence to the suggestion that PpBADH is more similar to the Class 1 and 2 ALDHs than it is to other Class 3 ALDHs. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  17. Fulltext PDF

    Indian Academy of Sciences (India)

    Administrator

    3.2 Thallium(III). The reactions of diphenylthallium(III) hydroxide with a series of thiosemicarbazones in water–ethanol medium at room temperature formed novel diphenylthallium(III) thiosemicarbazonates of stoichiometry [TlPh2(L)] {HL : R = N3–N2H–C1(S)–N1H2, cyclopentanone (28), benzaldehyde (29), ...

  18. Synthesis and characterization of copper-64- thiosemicarbazone complexes for radionuclide cancer therapy: biodistribution study in mice by microPET imaging

    International Nuclear Information System (INIS)

    Zhang, H.; Lu, X.; Muzik, O.; Peng, F.

    2007-01-01

    Full text: Multiple copper-thiosemicarbazone complexes of strong anticancer activity were reported in the literature. We hypothesize that a radioactive copper -thiosemicarbazone complex prepared with a radioactive copper radionuclide, such as copper-64 or copper-67, may have enhanced therapeutic efficiency combining cytotoxicity of the copper complex itself and radiotherapeutic effects of the copper radionuclide. Furthermore, a copper-64 thiosemicarbazone complex is especially attractive for targeted radionuclide cancer therapy because tumor localization of the radioactive copper complexes may be non-invasively monitored by position emission tomography (PET) when positron emitting copper isotopes, such as copper-64, are used to prepare the copper complexes. Methods: 8- hydroxyquinoline was coupled to 2-carboxaldehydethiosemicarbazide to make 8-hydroxyquinoline-2- carboxaldehydethiosemicarbazide (HQTS) holding a unique ONNS quadridentate system. Copper complex of HQTS (CuHQTS) was prepared through directly reacting copper chloride with HQTS in enthanolic solution. Anticancer activity of the CuHQTS complex was tested on human prostate cancer, neuroblastoma, and malignant glioblastoma cells by MTT assay, cell cycle arrest analysis, and FITC-Annexin V/PI FACS analysis of apoptosis. To assess bio-distribution in vivo, the HQTS ligands were radiolabeled with copper-64 at 50 0 C for 50 min, and intravenously injected to the mice after removal of nonconjugated copper-64 radionuclides by spin column. Subsequently, the mice were subjected to whole body imaging using a Concorde microPET R4 tomograph, at 1 and 24-hour post injection of the conjugates. Upon completion of the imaging study, the mice were euthanized and the postmortem tissues were harvested, weighted and counted for radioactivity using a gamma counter (%ID/g). The mice injected with copper-64 chlorides were used as control. Results and Discussion: The CuHQTS complexes were synthesized and characterized by IR

  19. New 1,3-thiazole derivatives and their biological and ultrastructural effects on Trypanosoma cruzi.

    Science.gov (United States)

    de Moraes Gomes, Paulo André Teixeira; de Oliveira Barbosa, Miria; Farias Santiago, Edna; de Oliveira Cardoso, Marcos Veríssimo; Capistrano Costa, Natáli Tereza; Hernandes, Marcelo Zaldini; Moreira, Diogo Rodrigo Magalhães; da Silva, Aline Caroline; Dos Santos, Thiago André Ramos; Pereira, Valéria Rêgo Alves; Brayner Dos Santosd, Fábio André; do Nascimento Pereira, Glaécia Aparecida; Ferreira, Rafaela Salgado; Leite, Ana Cristina Lima

    2016-10-04

    In previous studies, the compound 3-(bromopropiophenone) thiosemicarbazone was described as a potent anti-Trypanosoma cruzi and cruzain inhibitor. In view to optimize this activity, 1,3-thiazole core was used as building-block strategy to access new lead generation of anti T. cruzi agents. In this way a series of thiazole derivatives were synthesized and most of these derivatives exhibited antiparasitic activity similar to benznidazole (Bzd). Among them, compounds (1c) and (1g) presented better selective index (SI) than Bzd. In addition, compounds showed inhibitory activity against the cruzain protease. As observed by electron microscopy, compound (1c) treatment caused irreversible and specific morphological changes on ultrastructure organization of T. cruzi, demonstrating that this class of compounds is killing parasites. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  20. A Study on the Condensation Reaction of 4-Amino-3,5-dimethyl-1,2,4-triazole with Benzaldehydes: Structure and Spectroscopic Properties of Some New Stable Hemiaminals

    Directory of Open Access Journals (Sweden)

    Katarzyna Wajda-Hermanowicz

    2015-09-01

    Full Text Available Studies on the stable hemiaminals and Schiff bases formation in the reaction of substituted benzaldehydes with primary 3,5-dimethyl-1,2,4-triazole 4-amine were carried out under neutral conditions. These products were investigated by IR, Raman, MS, 1H- and 13C-NMR spectra as well as by X-ray crystallography. The effect of reaction conditions: temperature, polarity of the solvents utilized, substrate concentration and the ortho and para benzaldehyde substituents on the yield of products was also examined.

  1. Reaction of 11 C-benzoyl chlorides with metalloid reagents: 11 C-labeling of benzyl alcohols, benzaldehydes, and phenyl ketones from [11 C]CO.

    Science.gov (United States)

    Roslin, Sara; Dahl, Kenneth; Nordeman, Patrik

    2018-01-26

    In this article, we describe the carbon-11 ( 11 C, t 1/2  = 20.4 minutes) labeling of benzyl alcohols, benzaldehydes, and ketones using an efficient 2-step synthesis in which 11 C-carbon monoxide is used in an initial palladium-mediated reaction to produce 11 C-benzoyl chloride as a key intermediate. In the second step, the obtained 11 C-benzoyl chloride is further treated with a metalloid reagent to furnish the final 11 C-labeled product. Benzyl alcohols were obtained in moderated to high non-isolated radiochemical yields (RCY, 35%-90%) with lithium aluminum hydride or lithium aluminum deuteride as metalloid reagent. Changing the metalloid reagent to either tributyltin hydride or sodium borohydride, allowed for the reliable syntheses of 11 C-benzaldehydes in RCYs ranging from 58% to 95%. Finally, sodium tetraphenylborate were utilized to obtain 11 C-phenyl ketones in high RCYs (77%-95%). The developed method provides a new and efficient route to 3 different classes of compounds starting from aryl iodides or aryl bromides. Copyright © 2018 John Wiley & Sons, Ltd.

  2. A DFT Study of Some Structural and Spectral Properties of 4-Methoxyacetophenone Thiosemicarbazone and Its Complexes with Some Transition Metal Chlorides: Potent Antimicrobial Agents

    Directory of Open Access Journals (Sweden)

    Julius Numbonui Ghogomu

    2016-01-01

    Full Text Available Recent studies have shown that 4-methoxyacetophenone thiosemicarbazone (MAPTSC and its complexes with some transition metal chlorides are potent antimicrobial agents. To deepen the understanding of their structure-activity relationships necessary for rational drug design, their structural and spectral properties, along with thione-thiol tautomerism of MAPTSC, have been studied herein using the density functional theory (DFT. From our results, the thione tautomer of MAPTSC is more stable than the thiol counterpart in ethanolic solution, and thione-to-thiol tautomerization is highly precluded at ambient temperature (25°C by a high barrier height ≈46.41 kcal/mol. MAPTSC can therefore exist as a mixture of the thione (major and thiol (minor tautomers in ethanolic solution at room and higher temperatures. Conformational analysis has revealed five possible conformers of the thione tautomer, of which two are stable enough to be isolated at 25°C. Based on our computed values of MAPTSC-metal(II binding energies, enthalpies, and Gibbs free energies, the thione tautomer of MAPTSC exhibits a higher affinity for the d8 metal ions Ni(II, Pd(II, and Pt(II and can therefore efficiently chelate them in chemical and biological systems. Natural population analysis has revealed ligand-metal charge transfer in the MAPTSC complexes studied. A good agreement has been found between calculated and experimentally observed spectral properties (IR, UV-Vis, and NMR.

  3. Di-2-pyridylketone 4,4-dimethyl-3-thiosemicarbazone (Dp44mT), an anticancer agent, exerts an anti-inflammatory effect in activated human mast cells.

    Science.gov (United States)

    Nam, Sun-Young; Han, Na-Ra; Yoon, Kyoung Wan; Kim, Hyung-Min; Jeong, Hyun-Ja

    2017-10-01

    Inflammation has been closely associated with the development and progression of cancer. Previously, we reported that mast cells play a critical role in tumor growth. The purpose of this study is to investigate the anti-inflammatory effect of an anticancer agent, di-2-pyridylketone 4,4-dimethyl-3-thiosemicarbazone (Dp44mT), on an activated human mast cell line, in this case HMC-1 cells. We evaluated the effect and specific molecular mechanism of Dp44mT on phorbol 12-myristate 13-acetate and calcium ionophore A23187 (PMACI) using HMC-1 cells. Here, we demonstrated that Dp44mT significantly decreased the protein levels of hypoxia-inducible factor-1α and vascular endothelial growth factor without exposing activated HMC-1 cells to any cytotoxicity. In activated mast cells, Dp44mT mitigated the strong production and mRNA expression of inflammatory cytokines, in this case, interleukin (IL)-1β, IL-6, tumor necrosis factor-α, and thymic stromal lymphopoietin, through a blockade of caspase-1 and nuclear factor-κB activities. Furthermore, phosphorylations of the mitogen-activated protein kinase family included in inflammatory signaling cascades were significantly inhibited by a Dp44mT treatment. Overall, our results indicate that the anticancer agent Dp44mT has an anti-inflammatory effect and may be of therapeutic importance for the treatment of mast cell-mediated inflammatory diseases.

  4. Development of an extractive spectrophotometric method for the determination of copper(II) in leafy vegetable and pharmaceutical samples using pyridoxal-4-phenyl-3-thiosemicarbazone (PPT).

    Science.gov (United States)

    Sarma, L Subramanyam; Kumar, J Rajesh; Reddy, K Janardhan; Reddy, A Varada

    2005-07-13

    A highly sensitive extractive spectrophotometric method has been developed for the determination of copper(II) using pyridoxal-4-phenyl-3-thiosemicarbazone(PPT) as an analytical reagent. The PPT forms reddish brown species of copper(II) at a pH range of 3.0-5.5, and the complex was extracted into n-butanol. The Cu(II)-PPT complex shows maximum absorbance at 440 nm, with molar absorptivity and Sandell's sensitivity being 2.16 x 10(4) L mol(-1) cm(-1) and 2.94 x 10(-3) microg cm(-2), respectively. The system obeys Beer's law in the range of 0.2-5.0 mg/L. The regression coefficient of the Beer's law straight line is 0.338, and the correlation coefficient is 0.96. The detection limit of the method is 0.0065 microg mL(-1). Most of the common metal ions generally found associated with copper do not interfere. The repeatability of the method was checked by finding the relative standard deviation. The developed method has been successfully employed for the determination of copper(II) in leafy vegetable and pharmaceutical samples. The method is evaluated by analyzing samples from the Bureau of Analyzed Samples (BCS 233, 266, 216/1, 207, and 179) and by intercomparison of experimental values using AAS.

  5. Highly efficient ultrasonic-assisted removal of Hg(II) ions on graphene oxide modified with 2-pyridinecarboxaldehyde thiosemicarbazone: Adsorption isotherms and kinetics studies.

    Science.gov (United States)

    Tadjarodi, Azadeh; Moazen Ferdowsi, Somayeh; Zare-Dorabei, Rouholah; Barzin, Ahmad

    2016-11-01

    A novel adsorbent, based on modifying graphene oxide (GO) chemically with 2-pyridinecarboxaldehyde thiosemicarbazone (2-PTSC) as ligand, was designed by facile process for removal of Hg(II) from aqueous solution. Characterization of the adsorbent was performed using various techniques, such as FT-IR, XRD, XPS, SEM and AFM analysis. The adsorption capacity was affected by variables such as adsorbent dosage, pH solution, Hg(2+) initial concentration and sonicating time. These variables were optimized by rotatable central composite design (CCD) under response surface methodology (RSM). The predictive model for Hg(II) adsorption was constructed and applied to find the best conditions at which the responses were maximized. In this conditions, the adsorption capacity of this adsorbent for Hg(2+) ions was calculated to be 309mgg(-1) that was higher than that of GO. Appling the ultrasound power combined with adsorption method was very efficient in shortening the removal time of Hg(2+) ions by enhancing the dispersion of adsorbent and metal ions in solution and effective interactions among them. The adsorption process was well described by second-order kinetic and Langmuir isotherm model in which the maximum adsorption capacity (Qm) was found to be 555mgg(-1) for adsorption of Hg(2+) ions over the obtained adsorbent. The performance of adsorbent was examined on the real wastewaters and confirmed the applicability of adsorbent for practical applications. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Ni(II, Pd(II and Pt(II complexes with ligand containing thiosemicarbazone and semicarbazone moiety: synthesis, characterization and biological investigation

    Directory of Open Access Journals (Sweden)

    SULEKH CHANDRA

    2008-07-01

    Full Text Available The synthesis of nickel(II, palladium(II and platinum(II complexes with thiosemicarbazone and semicarbazone of p-tolualdehyde are reported. All the new compounds were characterized by elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, 1H-NMR, IR and electronic spectral studies. Based on the molar conductance measurements in DMSO, the complexes may be formulated as [Ni(L2Cl2] and [M(L2]Cl2 (where M = Pd(II and Pt(II due to their non-electrolytic and 1:2 electrolytic nature, respectively. The spectral data are consistent with an octahedral geometry around Ni(II and a square planar geometry for Pd(II and Pt(II, in which the ligands act as bidentate chelating agents, coordinated through the nitrogen and sulphur/oxygen atoms. The ligands and their metal complexes were screened in vitro against fungal species Alternaria alternata, Aspergillus niger and Fusarium odum, using the food poison technique.

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

    Science.gov (United States)

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

    2013-08-15

    The structure-activity relationship of phenylpyrazole derivative 1 was investigated for the development of novel anti-HIV agents. Initial efforts revealed that the diazenyl group can be replaced by an aminomethylene group. In addition, we synthesized various derivatives by the reductive amination of benzaldehydes with 5-aminopyrazoles and carried out parallel structural optimization on the benzyl group and the pyrazole ring. This optimization led to a six-fold more potent derivative 32j than the lead compound 1, and this derivative has a 3',4'-dichloro-(1,1'-biphenyl)-3-yl group. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Synthesis, characterization and antibacterial studies of ruthenium(III) complexes derived from chitosan schiff base.

    Science.gov (United States)

    Vadivel, T; Dhamodaran, M

    2016-09-01

    Chitosan can be modified chemically by condensation reaction of deacetylated chitosan with aldehyde in homogeneous phase. This condensation is carried by primary amine (NH2) with aldehyde (CHO) to form corresponding schiff base. The chitosan biopolymer schiff base derivatives are synthesized with substituted aldehydes namely 4-hydroxy-3-methoxy benzaldehyde, 2-hydroxy benzaldehyde, and 2-hydroxy-3-methoxy benzaldehyde, becomes a complexing agent or ligand. The Ruthenium(III) complexes were obtained by complexation of Ruthenium with schiff base ligands and this product exhibits as an excellent solubility and more biocompatibility. The novel series of schiff base Ruthenium(III) complexes are characterized by Elemental analysis, FT-IR spectroscopy, and Thermo-gravimetric analysis (TGA). The synthesized complexes have been subjected to antibacterial study. The antibacterial results indicated that the antibacterial activity of the complexes were more effective against Gram positive and Gram negative pathogenic bacteria. These findings are giving suitable support for developing new antibacterial agent and expand our scope for applications. Copyright © 2015 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

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

  10. Enzymatic reduction of 4-(dimethylamino)benzaldehyde with carrot bits (Daucus carota): a simple experiment for understanding biocatalysis; Reducao enzimatica do 4-(dimetilamino)benzaldeido com pedacos de cenoura (Daucus carota): um experimento simples na compreensao da biocatalise

    Energy Technology Data Exchange (ETDEWEB)

    Omori, Alvaro Takeo; Portas, Viviane Barbosa; Oliveira, Camila de Souza de, E-mail: alvaro.omori@ufabc.edu.br [Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC, SP (Brazil)

    2012-07-01

    The present paper describes a simple, low-costly and environmentally friendly procedure for reduction of 4-(dimethylamino)benzaldehyde using carrot bits in water. This interdisciplinary experiment can be used to introduce the concepts of biocatalysis and green chemistry to undergraduate students. (author)

  11. Synthesis, characterization, crystal structure and antibacterial activity of new sulfur-bridged dinuclear silver(I) thiosemicarbazone complex [Ag.sub.2./sub.(PPh.sub.3./sub.).sub.2./sub.(μ-S-Brcatsc).sub.2./sub.(η.sup.1./sup.-S-Brcatsc).sub.2./sub.](NO.sub.3./sub.).sub.2./sub..

    Czech Academy of Sciences Publication Activity Database

    Shahsavani, E.; Khalaji, A.D.; Feizi, N.; Kučeráková, Monika; Dušek, Michal

    2015-01-01

    Roč. 429, Apr (2015), 61-66 ISSN 0020-1693 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : sulfur-bridged dinuclear silver (I) * thiosemicarbazone complex * single-crystal * distorted tetrahedron * antibacterial activity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.918, year: 2015

  12. Hydrotrioxides rather than cyclic tetraoxides (tetraoxolanes) as the primary reaction intermediates in the low-temperature ozonation of aldehydes. The case of benzaldehyde.

    Science.gov (United States)

    Cerkovnik, Janez; Plesnicar, Bozo; Koller, Joze; Tuttle, Tell

    2009-01-02

    We demonstrate in this work by theory and experiment that benzaldehyde hydrotrioxide (PhC(O)OOOH), the intermediate most likely formed in the low-temperature ozonation of benzaldehyde, is too unstable to be detected by NMR (1H, 13C, and 17O) spectroscopy in various organic solvents at temperatures > or = -80 degrees C and that its previous detection must have been erroneous. Several plausible mechanisms for the formation of this polyoxide were explored by using density functional theory. We found that the formation of the hydrotrioxide involves the facile 1,3-dipolar insertion of ozone into the C-H bond (deltaH(double dagger) = 11.1 kcal/mol) in a strongly exothermic process (deltaH(R) = -57.0 kcal/mol). The hydrotrioxide then quickly decomposes in a second concerted, exothermic reaction involving an intramolecular H transfer to form benzoic acid and singlet oxygen (O2(1delta(g))) (deltaH(double dagger) = 5.6 kcal/mol), deltaH(R) = -14.0 kcal/mol). The equilibrium is thus expected to be shifted toward the products; therefore, this intermediate cannot be observed experimentally. Peroxybenzoic acid, still another major reaction product formed in the ozonation reaction, is formed as a result of the surprising instability of the RC(O)O-OOH bond (deltaH(R) = 23.5 kcal/mol), generating HOO* and benzoyloxyl radicals. Both of these radicals can then initiate the chain autoxidation reaction sequence--the abstraction of a H atom from benzaldehyde to form either a benzoyl radical and HOOH or a benzoyl radical and benzoic acid. Because only very small amounts of HOOH were detected in the decomposition mixtures, the recombination of the benzoyl radical with the HOO* radical (deltaH(R) = -80.7 kcal/mol) appears to be the major source of peroxybenzoic acid. A theoretical investigation of the mechanistic possibility of the involvement of still another intermediate, a cyclic tetraoxide (tetraoxolane) formed as a primary product in the 1,3-dipolar cycloaddition of ozone to the

  13. A DFT study of the catalytic pyrolysis of benzaldehyde on ZnO, γ-Al2O3, and CaO models.

    Science.gov (United States)

    Cui, Li-Ping; Liu, Jiang-Tao; Liu, Shi-Zhong; Wang, Ming-Fei; Gao, Zhi-Hua; Zuo, Zhi-Jun; Huang, Wei

    2018-02-21

    The catalytic pyrolysis pathways of carbonyl compounds in coal were systematically studied using density functional theory (DFT), with benzaldehyde (C 6 H 5 CHO) employed as a coal-based model compound and ZnO, γ-Al 2 O 3 , and CaO as catalysts. The results show that the products of both pyrolysis and catalytic pyrolysis are C 6 H 6 and CO. However, the presence of any of the catalysts changes the reaction pathway and reduces the energy barrier, indicating that these catalysts promote C 6 H 5 CHO decomposition. Graphical abstract The presence of catalysts changes the reaction pathway and the energy barrier decreases in the order Ea (no catalyst)> Ea (CaO)> Ea (γ-Al 2 O 3 )> Ea (ZnO), indicating that these catalysts promote C 6 H 5 CHO decomposition.

  14. (2,3,7,8,12,13,17,18-Octa-ethyl-porphyrinato-κ(4)N)cobalt(II)-2-nitro-benzaldehyde (1/2).

    Science.gov (United States)

    Mansour, Anissa; Daran, Jean-Claude; Nasri, Habib

    2012-09-01

    The asymmetric unit of the title compound, [Co(C(36)H(44)N(4))]·2C(7)H(5)NO(3), is composed of one half of the complex, arranged about an inversion center, and a complete 2-nitro-benzaldehyde (NBA) mol-ecule. The structure consists of columns that contain inter-leaved mol-ecules of NBA and [Co(II)(OEP)] (OEP is 2,3,7,8,12,13,17,18-octa-ethyl-porphyrin), which are stacked along the a axis. The Co(II) atom is involved in a π inter-action with the ring of the NBA mol-ecule with a centroid-metal distance of 3.508 (6) Å. There is an intra-molecular C-H⋯O hydrogen bond in the NBA mol-ecule.

  15. Antimicrobial Activity and Urease Inhibition of Schiff Bases Derived from Isoniazid and Fluorinated Benzaldehydes and of Their Copper(II Complexes

    Directory of Open Access Journals (Sweden)

    Ladislav Habala

    2016-12-01

    Full Text Available In order to evaluate the influence of substitution on biological properties of Schiff bases and their metal complexes, a series of differently substituted fluorine-containing Schiff bases starting from the drug isoniazid (isonicotinylhydrazide were prepared and their structures were established by single-crystal X-ray diffraction. Also, four copper(II complexes of these Schiff bases were synthesized. The prepared compounds were evaluated for their antimicrobial activity and urease inhibition. Two of the Schiff bases exerted activity against C. albicans. All copper(II complexes showed excellent inhibitory properties against jack bean urease, considerably better than that of the standard inhibitor acetohydroxamic acid.

  16. Synthesis of 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives

    International Nuclear Information System (INIS)

    Elhadi, S. A.

    2004-09-01

    Quinolin derivatives are a group of compounds known to possess a wide range of biological activities. The chemistry of quinolines together with their corresponding aldehydes were dealt with in chapter one of this study. Special emphasis was given to the chemistry of benzaldehyde. Twenty five 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives together with their corresponding intermediates were prepared in this work. Basically, the synthetic design of these compounds arise from the appropriate disconnections of the target 2-phenyl and 2,3-diphenyl-quinolin-4-carboxylic acids. The retro synthesis analysis of these compounds reveals pyruvic acid, aromatic amine and benzaldehyde or phenyl pyruvic acid, aromatic amine and benzaldehyde as possible logical precursors for 2-phenyl-and 2,3-diphenyl- quinoline-4-carboxylic acids respectively. The purity and identities of the synthesized compounds were elucidated through chromatographic and spectroscopic techniques. The compounds were heavily subjected to spectroscopic analysis (UV, IR, GC/MS, 1 H-and 13 C- NMR). The appropriate disconnections and the mechanisms of the corresponding reactions were given and discussed in chapter three. The spectral data were interpreted and correlated with the target structures. The prepared 2-phenyl- and 2,3-diphenyl-quinoline-4-carboxylic acid derivatives were screened for their antibacterial activity. The compounds were tested against the standard bacterial organisms B. subtilis, S. aureus, E. coli and P. vulgaris. Some of these compounds were devoid of antibacterial activity against S. aureus and P. vulgaris, while others showed moderate activity. All of the tested compounds showed an activity against B. subtilis and E. coli. 2,3-diphenyl -6-sulphanilamide-quinolin-4-carboxylic acid showed the highest activity against the four standard tested organisms.(Author)

  17. Gas chromatography-flame ionization determination of benzaldehyde in non-steroidal anti-inflammatory drug injectable formulations using new ultrasound-assisted dispersive liquid-liquid micro extraction

    International Nuclear Information System (INIS)

    Mashayekhi, H.A.; Pourshamsian, K.

    2012-01-01

    Summary: In this study, simple and efficient ultrasound-assisted dispersive liquid-liquid micro extraction combined with gas chromatography (GC) was developed for the preconcentration and determination of benzaldehyde in injectable formulations of the non-steroidal anti-inflammatory drugs, diclofenac, Vitamin B-complex and Voltaren injection solutions. Fourteen microliters of toluene was injected slowly into 10 mL home-designed centrifuge glass vial containing an aqueous sample without salt addition that was located inside the ultrasonic water bath. The formed emulsion was centrifuged and 2 macro L of separated toluene was injected into a gas chromatographic system equipped with a flame ionization detector (GC-FID) for analysis. Several factors influencing the extraction efficiency as the nature and volume of organic solvent, extraction temperature, ionic strength and centrifugation time were investigated and optimized. Using optimum extraction conditions a detection limit of 0.3 macro g L/sup -1/ and a good linearity in a calibration range of 2.0-1000 macro g L/sup -1/ were achieved for analyte. This proposed method was successfully applied to the analysis of benzaldehyde in three injection formulations and relative standard deviation (RSD) of analysis (n=3), before spiking with standard benzaldehyde were 3.3, 2.0 and 1.3% for Na-diclofenac, vitamin B-complex and voltaren, respectively and after spiking of standard benzaldehyde (0.3 mg L/sup -1/), the RSD were 6.5, 3.6 and 2.8% for Na-diclofenac, vitamin B-complex and voltaren, respectively. (author)

  18. The synthesis and characterization of some novel 5-chloro-2-(substituted alkoxy)-N-phenylbenzamide derivatives

    OpenAIRE

    IOANA M. C. IENAŞCU; ALFA X. LUPEA; IULIANA M. POPESCU; MIRABELA A. PĂDURE; ALINA D. ZAMFIR

    2009-01-01

    To obtain biologically active compounds, the synthesis of some new derivatives with an o-hydroxybenzamide structure was performed. The ethyl esters 4–6 were obtained by the reaction of 5-chloro-2-hydroxy-N-phenylbenzamide and chloro-substituted acid ethyl esters 1–3 in ethyl methyl ketone. The obtained ethyl esters were condensed with hydrazine yielding the hydrazides 7–8. The hydrazones 11–14 were obtained by the reaction of the hydrazides and the chloro-substituted benzaldehydes 9–10. All t...

  19. The synthesis and characterization of some novel 5-chloro-2-(substituted alkoxy-N-phenylbenzamide derivatives

    Directory of Open Access Journals (Sweden)

    IOANA M. C. IENAŞCU

    2009-08-01

    Full Text Available To obtain biologically active compounds, the synthesis of some new derivatives with an o-hydroxybenzamide structure was performed. The ethyl esters 4–6 were obtained by the reaction of 5-chloro-2-hydroxy-N-phenylbenzamide and chloro-substituted acid ethyl esters 1–3 in ethyl methyl ketone. The obtained ethyl esters were condensed with hydrazine yielding the hydrazides 7–8. The hydrazones 11–14 were obtained by the reaction of the hydrazides and the chloro-substituted benzaldehydes 9–10. All the newly synthesized compounds were characterized by FTIR, 1H-NMR, 13C-NMR, MS and elemental analyses.

  20. Desing and synthesis of potent anti-Trypanosoma cruzi agents new thiazoles derivatives which induce apoptotic parasite death.

    Science.gov (United States)

    da Silva, Elany Barbosa; Oliveira E Silva, Dayane Albuquerque; Oliveira, Arsênio Rodrigues; da Silva Mendes, Carlos Henrique; Dos Santos, Thiago André Ramos; da Silva, Aline Caroline; de Castro, Maria Carolina Acioly; Ferreira, Rafaela Salgado; Moreira, Diogo Rodrigo Magalhães; Cardoso, Marcos Veríssimo de Oliveira; de Simone, Carlos Alberto; Pereira, Valéria Rêgo Alves; Leite, Ana Cristina Lima

    2017-04-21

    Chagas disease, caused by the kinetoplastid protozoan parasite Trypanosoma cruzi, remains a relevant cause of illness and premature death and it is estimated that 6 million to 7 million people are infected worldwide. Although chemotherapy options are limited presenting serious problems, such as low efficacy and high toxicity. T. cruzi is susceptible to thiazoles, making this class of compounds appealing for drug development. Previously, thiazoles resulted in an increase in anti-T. cruzi activity in comparison to thiosemicarbazones. Here, we report the structural planning, synthesis and anti-T. cruzi evaluation of new thiazoles derivatives (3a-m and 4a-m), designed from molecular hybridization associated with non-classical bioisosterism. By varying substituents attached to the phenyl and thiazole rings, substituents were observed to retain, enhance or greatly increase their anti-T. cruzi activity, in comparison to the corresponding thiosemicarbazones. In most cases, electron-withdrawing substituents, such as bromine, 3,4-dichloro and nitro groups, greatly increased antiparasitic activity. Specifically, new thiazoles were identified that inhibit the epimastigote proliferation and were toxic for trypomastigotes without affecting macrophages viability. These compounds were also evaluated against cruzain. However, inhibition of this enzyme was not observed, suggesting that the compounds work through another mechanism. In addition, examination of T. cruzi cell death showed that these molecules induce apoptosis. In conclusion, except for compounds 3h and 3k, all thiazoles derivatives evaluated exhibited higher cytotoxic activity against the trypomastigote forms than the reference medicament benznidazole, without affecting macrophages viability. Compounds 4d and 4k were highlights, CC50 = 1.2 e 1.6 μM, respectively. Mechanistically, these compounds do not inhibit the cruzain, but induce T. cruzi cell death by an apoptotic process, being considered a good starting

  1. Extractive spectrophotometric determination of copper(II in water and alloy samples with 3-methoxy-4-hydroxy benzaldehyde-4-bromophenyl hydrazone (3,4-MHBBPH

    Directory of Open Access Journals (Sweden)

    D. REKHA

    2007-03-01

    Full Text Available A facile, sensitive and selective extractive spectrophotometricmethod was developed for the determination of copper(II in various water and alloy samples using a newly synthesized reagent, 3-methoxy-4-hydroxy benzaldehyde 4-bromophenyl hydrazone (3,4-MHBBPH. Copper(II forms a orange colored complex with (3,4-MHBBPH in acetate buffermedium (pH 4 which increases the sensitivity and the complexwas extracted into chloroform. Under optimum conditions, the maximum absorption of the chloroform extract was measured at 462 nm. The Beer law was obeyed in the range of 0.20 to 4.0 mg ml-1 of copper. The molar absorptivity and the Sandell's sensitivity of the complex were 2.0520 ´ 104 mol-1 cm-1 and 0.2540 mg cm-2, respectively. The detection limit was found to be 0.0270 mg mL-1. Adetailed study of various interfering ions made the method more sensitive. The method was successfully applied for the determination of Cu(II in water and alloy samples. The performance of the present method was evaluated in terms of Student 't' test and Variance ratio 'f ' test, which indicate the significance of the present method over reported methods.

  2. SYNTHESIS OF FLAVANONE-6-CARBOXYLIC ACID DERIVATIVES FROM SALICYLIC ACID DERIVATIVE

    Directory of Open Access Journals (Sweden)

    Muhammad Idham Darussalam Mardjan

    2012-02-01

    Full Text Available Synthesis of flavanone-6-carboxylic acid derivatives had been conducted via the route of chalcone. The synthesis was carried out from salicylic acid derivative, i.e. 4-hydroxybenzoic acid, via esterification, Fries rearrangement, Claisen-Schmidt condensation and 1,4-nucleophilic addition reactions. Structure elucidation of products was performed using FT-IR, 1H-NMR, GC-MS and UV-Vis spectrometers. Reaction of 4-hydroxybenzoic acid with methanol catalyzed with sulfuric acid produced methyl 4-hydroxybenzoate in 87% yield. The acid-catalyzed-acetylation of the product using acetic anhydride gave methyl 4-acetoxybenzoate in 75% yield. Furthermore, solvent-free Fries rearrangement of methyl 4-acetoxybenzoate in the presence of AlCl3 produced 3-acetyl-4-hydroxybenzoic acid as the acetophenone derivatives in 67% yield. Then, Claisen-Schmidt condensation of the acetophenone and benzaldehyde derivatives of p-anisaldehyde and veratraldehyde in basic condition gave 2'-hydroxychalcone-5'-carboxylic acid derivatives  in 81 and 71 % yield, respectively. Finally, the ring closure reaction of the chalcone yielded the corresponding flavanone-6-carboxylic acids in 67 and 59% yield, respectively.

  3. Selective liquid phase oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over γ-Al{sub 2}O{sub 3} supported copper and gold nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ndolomingo, Matumuene Joe; Meijboom, Reinout, E-mail: rmeijboom@uj.ac.za

    2017-03-15

    Highlights: • Cu and Au on γ-Al{sub 2}O{sub 3} catalysts were prepared and characterized. • Benzyl alcohol oxidation to benzaldehyde was performed by tert-butyl hydroperoxide in the absence of any solvent using the prepared catalysts. • The as prepared catalysts exhibited good performance in terms of conversion and selectivity towards benzaldehyde. • The kinetics of the reaction was investigated; k{sub app} was proportional to the amount of nano catalyst and oxidant present in the system. • The catalysts was recycled and reused with neither significant loss of activity nor selectivity. - Abstract: Benzyl alcohol oxidation to benzaldehyde was performed by tert-butyl hydroperoxide (TBHP) in the absence of any solvent using γ-Al{sub 2}O{sub 3} supported copper and gold nanoparticles. Li{sub 2}O and ionic liquids were used as additive and stabilizers for the synthesis of the catalysts. The physico-chemical properties of the catalysts were characterized by atomic absorption spectroscopy (AAS), X-ray diffraction spectroscopy (XRD), N{sub 2} absorption/desorption (BET), transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and temperature programmed reduction (TPR), whereas, the oxidation reaction was followed by gas chromatography with a flame ionization detector (GC-FID). The as prepared catalysts exhibited good catalytic performance in terms of conversion and selectivity towards benzaldehyde. The performance of the Au-based catalysts is significantly higher than that of the Cu-based catalysts. For both Cu and Au catalysts, the conversion of benzyl alcohol increased as the reaction proceeds, while the selectivity for benzaldehyde decreased. Moreover, the catalysts can be easily recycled and reused with neither significant loss of activity nor selectivity. A kinetic study for the Cu and Au-catalyzed oxidation of benzyl alcohol to benzyldehyde is reported. The rate at which the oxidation of benzyl alcohol

  4. Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.

    Science.gov (United States)

    Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N M; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B

    2016-09-14

    Two water-soluble thiosemicarbazone-proline (H2L(1)) and thiosemicarbazone-homoproline hybrids (H2L(2)) were synthesised. By reaction of H2L(1) with NiCl2·6H2O, PdCl2 and CuCl2·2H2O in ethanol, the series of square-planar complexes [Ni(H2L(1))Cl]Cl·1.3H2O (1·1.3H2O), [Pd(H2L(1))Cl]Cl·H2O (2·H2O) and [Cu(H2L(1))Cl]Cl·0.7H2O (3·0.7H2O) was prepared, and starting from H2L(2) and CuCl2·2H2O in methanol, the complex [Cu(H2L(2))Cl2]·H2O (4·H2O) was obtained. The compounds have been characterised by elemental analysis, spectroscopic methods (IR, UV-vis and NMR spectroscopy), ESI mass spectrometry and single crystal X-ray crystallography (H2L(1), 1, 2 and 4). As a solid, 1 is diamagnetic, while it is paramagnetic in methanolic solution. The effective magnetic moment of 3.26 B.M. at room temperature indicates the change in coordination geometry from square-planar to octahedral upon dissolution. The in vitro anticancer potency of ligand precursors H2L(1) and H2L(2) and metal complexes 1-4 was studied in three human cancer cell lines (A549, CH1 and SW480) and in noncancerous murine embryonal fibroblasts (NIH/3T3), and the mechanism of cell death was also assayed by flow cytometry. Clear-cut structure-activity relationships have been established. The metal ions exert marked effects in a divergent manner: copper(ii) increases, whereas nickel(ii) and palladium(ii) decrease the cytotoxicity of the hybrids. The antiproliferative activity of H2L(1) and metal complexes 1-3 decreases in all three tumour cell lines in the following rank order: 3 > H2L(1) > 1 > 2. The role of square-planar geometry in the underlying mechanism of cytotoxicity of the metal complexes studied seems to be negligible, while structural modifications at the terminal amino group of thiosemicarbazide and proline moieties are significant for enhancing the antiproliferative activity of both hybrids and copper(ii) complexes.

  5. The preparation and characterization of Cu(II complexes with N,N’,N”,N’”-tetrakis(2-pyridylmethyl-1,4,8,11-tetraazacyclotetradecane and 2,6-diacetylpyridine bis(semi/thiosemicarbazones

    Directory of Open Access Journals (Sweden)

    GORDANA VUCKOVIC

    2004-03-01

    Full Text Available Two new Cu(II mixed-ligand complexes with octadentate N,N’,N”,N’”-tetrakis(2-pyridylmethyl-1,4,8,11-tetraazacyclotetradecane (tpmc and potentially pentadentate ligands 2,6-diacetylpyridine bis(semicarbazone (DAPsc2 or 2,6-diacetylpyridine bis(thiosemicarbazone (DAPtsc2 were prepared. The general formulas: [Cu4 DAPsc2(tpmc2]ClO48·5CH3COCH3·H2O and [Cu2 DAPtsc2(tpmc](ClO44·7C2H5OH were proposed on the basis of elemental analyses and conductometric measurements. The complexes were characterized by magnetic measurement, electronic absorption and IR spectroscopy. For the dinuclear complex, an exo coordination of Cu(II with four nitrogens from tpmc and m-bonded DAPtsc2 through sulfurs and possibly terminal hydrazinic (azomethine nitrogens is assumed. For the tetranuclear complex, it is supposed that one DAPsc2 bridges two [Cu2 tpmc]4+ units using oxygens and terminal hydrazinic nitrogens as ligators. Finally, some antibacterial activity of the complexes was found.

  6. 1-(2,4-Dihydroxyphenyl)-1-ethanone Hydrazone Derivatives as Notable Butyrylcholinesterase Inhibitors

    International Nuclear Information System (INIS)

    Abbasi, M. A.; Niazi, S. K.; Rehman, A. U.; Siddiqui, S. Z.; Hussain, G.; Rasool, S.

    2016-01-01

    Azomethine group of Schiff bases is known to express valuable biological activities. 1-(2,4-Dihydroxyphenyl)-1-ethanone N'-substituted hydrazone derivatives, 4a-s, were synthesized in multistep. The starting material 2,4-dihydroxyacetophenone (1) was stirred with hydrated hydrazine to yield 1-(2,4-dihydroxyphenyl)-1-ethanone hydrazone (2) which was further reacted with (un)substituted benzaldehydes, 3a-s, to acquire the target molecules, 4a-s. Moreover, the synthesized derivatives 4a-s was characterized via IR, EI-MS, 1H-NMR and 13C-NMR spectral techniques. Most of the compounds were found to be valuable inhibitors of butyrylcholinesterase enzyme. (author)

  7. Hemoglobin derivatives

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/003371.htm Hemoglobin derivatives To use the sharing features on this page, please enable JavaScript. Hemoglobin derivatives are altered forms of hemoglobin . Hemoglobin is ...

  8. KF/Al2O3 as a Recyclable Basic Catalyst for 1,3-Dipolar Cycloaddition Reaction: Synthesis of Indolizine-1-Carbonitrile Derivatives

    Directory of Open Access Journals (Sweden)

    Abaszadeh Mehdi

    2017-07-01

    Full Text Available KF/Al2O3 as a green and efficient catalyst has been used for synthesis of indolizine-1-carbonitrile derivatives. It can be proceeded by using 1,3-dipolar cycloaddition reaction of 1-alkyl-2-chloropyridinium bromides, malononitrile and benzaldehyde in ethanol, at reflux. The great advantage of this catalyst is the ease of handling. KF/Al2O3 can be used and removed by filtration, avoiding cumbersome aqueous workups and decreasing solvent waste handling issues. High conversions, short reaction times and a cleaner reaction profiles are some of the outstanding advantages of this method.

  9. Synthesis and characterization of dioxouranium (VI) complexes of Schiff bases derived from isatin, isovanillin and o-vanillin

    International Nuclear Information System (INIS)

    Singh, Kavita; Agarwala, B.V.; Naganagowda, G.A.

    1996-01-01

    Three Schiff bases viz. isatin semicarbazone, isovanillin thiosemicarbazone, o-vanillin para-anisidine and their dioxouranium (VI) complexes have been synthesised and characterized by elemental analysis, IR and NMR spectral studies. (author). 19 refs., 1 tab

  10. Antispasmodic activity of xanthoxyline derivatives: structure-activity relationships.

    Science.gov (United States)

    Cechinel Filho, V; Miguel, O G; Nunes, R J; Calixto, J B; Yunes, R A

    1995-04-01

    The antispasmodic activity of several xanthoxyline derivatives against acetylcholine-induced contraction of the guinea pig ileum was evaluated in vitro. The acetophenones with two methoxyl groups, mainly in the 3,4 positions, exhibited potent antispasmodic activity. Modification of the hydroxyl group in xanthoxyline by the introduction of benzoyl, acetyl, or tosyl groups produced inactive compounds, whereas the introduction of benzyl or p-methoxybenzyl groups furnished compounds that were four- to eight-fold more potent than xanthoxyline. In marked contrast, the introduction of a methyl group gave a compound that caused contractant activity. Modification of the carbonyl group of xanthoxyline lead to inactive compounds, whereas the condensation of xanthoxyline with benzaldehydes gave chalkones that were about fivefold more potent than xanthoxyline. The introduction of benzyl and styrene groups, on the basis of the similarity with papaverine, improves the antispasmodic action of the xanthoxyline derivates. Our results suggest that the methoxyl and carbonyl groups are critical structural points for the antispasmodic activity of xanthoxyline derivatives. The hydroxyl group improves antispasmodic activity, but is not fundamental to its manifestation.

  11. Financial derivatives

    OpenAIRE

    Koutný, Ondřej

    2012-01-01

    1 Abstract/ Financial derivatives The purpose of this thesis is to provide an introduction to financial derivatives which has been, from the legal perspective, described in a not satisfactory manner as quite little literature that can be found about this topic. The main objectives of this thesis are to define the term "financial derivatives" and its particular types and to analyse legal nature of these financial instruments. The last objective is to try to draft future law regulation of finan...

  12. Financial Derivatives

    DEFF Research Database (Denmark)

    Wigan, Duncan

    2013-01-01

    Contemporary derivatives mark the development of capital and constitute a novel form of ownership. By reconfiguring the temporal, spatial and legal character of ownership derivatives present a substantive challenge to the tax collecting state. While fiscal systems are nationally bounded and inheren......Contemporary derivatives mark the development of capital and constitute a novel form of ownership. By reconfiguring the temporal, spatial and legal character of ownership derivatives present a substantive challenge to the tax collecting state. While fiscal systems are nationally bounded...

  13. Global Derivatives

    DEFF Research Database (Denmark)

    Andersen, Torben Juul

    ." - Steen Parsholt, Chairman and CEO, Aon Nordic Region. "Andersen has done a wonderful job of developing a comprehensive text that deals with risk management in global markets. I would recommend this book to any student or businessman who has a need to better understand the risks and risk management......""In Global Derivatives: A Strategic Risk Management Perspective", Torben Juul Andersen has succeeded to gather in one book a complete and thorough summary and an easy-to-read explanation of all types of derivative instruments and their background, and their use in modern management of risk...... approaches to dealing in the global business environment." - Sharon Brown-Hruska, Commissioner, Commodity Futures Trading Commission, USA. "This comprehensive survey of modern risk management using derivative securities is a fine demonstration of the practical relevance of modern derivatives theory to risk...

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

    Science.gov (United States)

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

    2013-12-05

    A new series of octahedral ruthenium(II) complexes supported by tridentate ligands derived from phenanthrenequinone and derivatives of thiosemicarbazide/semicarbazide and other co-ligands have been synthesized and characterized. DNA binding experiments indicated that ruthenium(II) complexes can interact with DNA through non-intercalation and the apparent binding constant value (Kb) of [RuCl(CO)(PPh₃)(L₃)] (3) at room temperature was calculated to be 2.27 × 10(3)M(-1). The DNA cleavage studies showed that the complexes have better cleavage of pBR 322 DNA. Antioxidative activity proved that the complexes have significant radical scavenging activity against free radicals. Cytotoxic activities showed that the ruthenium(II) complexes exhibited more effective cytotoxic activity against selected cancer cells. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Derivative chameleons

    International Nuclear Information System (INIS)

    Noller, Johannes

    2012-01-01

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

  16. Study of the antibacterial and antifungal activities of synthetic benzyl bromides, ketones, and corresponding chalcone derivatives.

    Science.gov (United States)

    Shakhatreh, Muhamad Ali K; Al-Smadi, Mousa L; Khabour, Omar F; Shuaibu, Fatima A; Hussein, Emad I; Alzoubi, Karem H

    2016-01-01

    Several applications of chalcones and their derivatives encouraged researchers to increase their synthesis as an alternative for the treatment of pathogenic bacterial and fungal infections. In the present study, chalcone derivatives were synthesized through cross aldol condensation reaction between 4-( N , N -dimethylamino)benzaldehyde and multiarm aromatic ketones. The multiarm aromatic ketones were synthesized through nucleophilic substitution reaction between 4-hydroxy acetophenone and benzyl bromides. The benzyl bromides, multiarm aromatic ketones, and corresponding chalcone derivatives were evaluated for their activities against eleven clinical pathogenic Gram-positive, Gram-negative bacteria, and three pathogenic fungi by the disk diffusion method. The minimum inhibitory concentration was determined by the microbroth dilution technique. The results of the present study demonstrated that benzyl bromide derivatives have strong antibacterial and antifungal properties as compared to synthetic chalcone derivatives and ketones. Benzyl bromides (1a and 1c) showed high ester activity against Gram-positive bacteria and fungi but moderate activity against Gram-negative bacteria. Therefore, these compounds may be considered as good antibacterial and antifungal drug discovery. However, substituted ketones (2a-b) as well as chalcone derivatives (3a-c) showed no activity against all the tested strains except for ketone (2c), which showed moderate activity against Candida albicans .

  17. Global Derivatives

    DEFF Research Database (Denmark)

    Andersen, Torben Juul

    , postgraduate qualification or MBA programme. This book also caters for practicing managers and executives who need to understand current developments in global derivatives markets and require cutting-edge insight on strategic risk management issues. Dr Torben Juul Andersen is currently Associate Professor...... approaches to dealing in the global business environment." - Sharon Brown-Hruska, Commissioner, Commodity Futures Trading Commission, USA. "This comprehensive survey of modern risk management using derivative securities is a fine demonstration of the practical relevance of modern derivatives theory to risk...... management practice. Of particular note is the global and integrated approach chosen in this book which should be of special interest to aspiring managers active in global and international markets." - Dr Jean-Pierre Zigrand, Lecturer in Finance, London School of Economics, UK. More than 90 per cent...

  18. Electricity derivatives

    CERN Document Server

    Aïd, René

    2015-01-01

    Offering a concise but complete survey of the common features of the microstructure of electricity markets, this book describes the state of the art in the different proposed electricity price models for pricing derivatives and in the numerical methods used to price and hedge the most prominent derivatives in electricity markets, namely power plants and swings. The mathematical content of the book has intentionally been made light in order to concentrate on the main subject matter, avoiding fastidious computations. Wherever possible, the models are illustrated by diagrams. The book should allow prospective researchers in the field of electricity derivatives to focus on the actual difficulties associated with the subject. It should also offer a brief but exhaustive overview of the latest techniques used by financial engineers in energy utilities and energy trading desks.

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

    Science.gov (United States)

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

    2014-01-01

    Di-2-pyridylketone-4,4,-dimethyl-3-thiosemicarbazone (Dp44mT) is a potential candidate in chelation therapy as an iron chelator. This study showed that a combined treatment with 2μM easily available Fe(II), Cu(II) and Zn(II) each and 5μM Dp44mT on eight different cancer cell lines resulted in a 10-40-fold increase in the intracellular Cu content compared to control samples. The uptake of Cu and Cu-dependent cytotoxicity strictly depend on the Cu concentration of the culture medium. Even as low concentration of Dp44mT as 0.1μM can transport high amounts of copper inside the cells. The Cu accumulation and toxicity through Dp44mT can hardly be influenced by Fe. Copper uptake and toxicity triggered by 2μM extracellular Cu(II) and 5μM Dp44mT could not be influenced by Fe(II) extracellular concentrations even 50-times higher than that of Cu(II). A 50-times higher Co(II) extracellular concentration hindered the Cu(II) uptake almost completely and a 10-times higher Co(II) concentration already decreased the Dp44mT-mediated Cu toxicity. Conditional complex stability constant determinations for Dp44mT with Cu(II), Co(II), Fe(II), Ni(II) and Zn(II) revealed that the metal-to-ligand ratio is 1:1 in [Cu(II)Dp44mT] complex, while for Co(II), Fe(II) and Ni(II) is 1:2. The highest stability constant was obtained for Cu(II) (lg β=7.08±0.05) and Co(II) (lg β2=12.47±0.07). According to our results, Dp44mT in combination with Cu is highly toxic in vitro. Therefore, the use of Dp44mT as an iron chelator is limited if biologically available Cu is also present even at low concentrations. © 2013.

  20. Electricity derivatives

    OpenAIRE

    Barone-Adesi, Giovanni; Gigli, Andrea

    2006-01-01

    In this paper we propose an algorithm for pricing derivatives written on electricity in an incomplete market setting. A discrete time model for price dynamics which embodies the main features of electricity price revealed by simple time series analysis is considered. We use jointly Binomial and Monte Carlo methods for pricing under a risk-neutral measure of which we prove the existence.

  1. dione derivatives

    Indian Academy of Sciences (India)

    dione derivatives via de-Boc and cyclization reaction in modest yield. Spectroscopic (1H, 13C NMR, and Mass) and analytical techniques have been used to identify and confirm the structure of the products. Keywords. Triflic anhydride; Boc anhydride; Negishi coupling; acid-amine coupling; cyclization reaction; cytotoxicity ...

  2. Synthesis of benzaldehyde-functionalized glycans: a novel approach towards glyco-SAMs as a tool for surface plasmon resonance studies.

    Science.gov (United States)

    Kopitzki, Sebastian; Jensen, Knud J; Thiem, Joachim

    2010-06-18

    In recent years the interest in tools for investigating carbohydrate-protein (CPI) and carbohydrate-carbohydrate interactions (CCI) has increased significantly. For the investigation of CPI and CCI, several techniques employing different linking methods are available. Surface plasmon resonance (SPR) imaging is a most appropriate tool for analyzing the formation of self-assembled monolayers (SAM) of carbohydrate derivatives, which can mimic the glycocalyx. In contrast to the SPR imaging methods used previously to analyze CPI and CCI, the novel approach reported herein allows a facile and rapid synthesis of linker spacers and carbohydrate derivatives and enhances the binding event by controlling the amount and orientation of ligand. For immobilization on biorepulsive amino-functionalized SPR chips by reductive amination, diverse aldehyde-functionalized glycan structures (glucose, galactose, mannose, glucosamine, cellobiose, lactose, and lactosamine) have been synthesized in several facile steps that include olefin metathesis. Effective immobilization and the first binding studies are presented for the lectin concanavalin A.

  3. Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia† †Electronic supplementary information (ESI) available. CCDC 1001632–1001634. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02537k Click here for additional data file. Click here for additional data file.

    Science.gov (United States)

    Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.

    2016-01-01

    We report the microwave synthesis of several bis(thiosemicarbazones) and the rapid gallium-68 incorporation to give the corresponding metal complexes. These proved kinetically stable under ‘cold’ and ‘hot’ biological assays and were investigated using laser scanning confocal microscopy, flow cytometry and radioactive cell retention studies under normoxia and hypoxia. 68Ga complex retention was found to be 34% higher in hypoxic cells than in normoxic cells over 30 min, further increasing to 53% at 120 min. Our data suggests that this class of gallium complexes show hypoxia selectivity suitable for imaging in living cells and in vivo tests by microPET in nude athymic mice showed that they are excreted within 1 h of their administration. PMID:26583314

  4. Fast and catalyst-free hydrazone ligation via ortho-halo-substituted benzaldehydes for protein C-terminal labeling at neutral pH.

    Science.gov (United States)

    Xu, Yang; Xu, Ling; Xia, Yuan; Guan, Chao-Jian; Guo, Qing-Xiang; Fu, Yao; Wang, Chen; Li, Yi-Ming

    2015-08-28

    Rapid and catalyst-free hydrazone ligation reaction between ortho-halobenzaldehyde derivatives and peptide/protein hydrazides was observed at neutral pH and room temperature. 2-Chlorobenzaldehyde exhibited the fastest reaction and highest conversion rates among the series of ortho-halobenzaldehydes. The resulting hydrazone-containing bioconjugation products were also found to be fairly stable under experimental conditions. The new ligation strategy was successfully used for protein C-terminal labeling and should provide a practical approach for the modification of proteins.

  5. Synthesis and reactions of triphenylphosphine-O-benzophenonimine and derivatives

    International Nuclear Information System (INIS)

    Elamin, Manahil Babiker

    1999-08-01

    O-Amino benzophenone and its para and meta isomers were prepared using Friedl-Craft benzoylation. Their azides were also prepared via their diazonium salts. The azide of o-amino benzophenone in its reduced form (o-benzylaniline) and its cyclic ketal were synthesised. All azides thus formed were reacted separately with triphenylphosphine to give the corresponding phosphinimines, the Wittig reagents nitrogen analog. The reactivity of the phosphorous bond. (P=N) in the different phosphoranes were studied by two types of reactions: (1) the Wittig type of reaction using benzaldehyde and its into derivatives with each of the above prepared phosphinimines. While triphenylphosphine-m-benzophenonimine (ii) and the triphenylphosphine benzophenonimine ethylene acetal (v) and it's reduced form triphenylphosphine-o-benzophenonimine (iv) react giving the corresponding schiffis bases. However, the ortho (i) and the para (iii) isomers failed to react. This lack of reactivity is presumably due to their great stability which came about through the extensive resonance that reduced the nucleophilicity of the nitrogen nucleophiles. (2) The phophinimines each was irradiated using Hanovia medium pressure UV lamp. Also the ortho and para isomers were not affected while others reacted giving the corresponding azo-compound and triphenylphosphine. they were separated and detected by chromatography.(Author)

  6. Synthesis and Antiviral Bioactivities of 2-Aryl- or 2-Methyl-3-(substituted- Benzalamino-4(3H-quinazolinone Derivatives

    Directory of Open Access Journals (Sweden)

    Zhuo Chen

    2007-12-01

    Full Text Available A simple and general method has been developed for the synthesis of various4(3H-quinazolinone derivatives by the treatment of the appropriate 3-amino-2-aryl-4(3H-quinazolinone with a substituted benzaldehyde in ethanol. The structures of the compoundswere characterized by elemental analysis, IR, 1H-NMR and 13C-NMR spectra. The title 2-aryl- or 2-methyl-3-(substituted-benzalamino-4(3H-quinazolinone compounds III-1~III-31 were found to possess moderate to good antiviral activity. Semi-quantitative PCR andReal Time PCR assays were used to ascertain the target of action of compound III-31against TMV. The studies suggest that III-31 possesses antiviral activity due to inductionof up-regulation of PR-1a and PR-5, thereby inhibiting virus proliferation and movementby enhancement of the activity of some defensive enzyme.

  7. Stereochemical trends of metal derivatives of some heterocyclic-2 ...

    Indian Academy of Sciences (India)

    Administrator

    donor atoms (28–33) or chelating N4,N3,S-donor atoms (34 and 35). In all the cases, thiosemicarbazones change the conformation from E-mode to Z-mode. 205Tl NMR suggest more than one species involving intra- or inter-molecular interactions for 28–33 and only one species for 34 and 35. Thallium chemical shift values ...

  8. Redox cycling of a copper complex with benzaldehyde nitrogen mustard-2-pyridine carboxylic acid hydrazone contributes to its enhanced antitumor activity, but no change in the mechanism of action occurs after chelation.

    Science.gov (United States)

    Yang, Yinli; Li, Cuiping; Fu, Yun; Liu, Youxun; Zhang, Yu; Zhang, Yanfang; Zhou, Pingxin; Yuan, Yanbin; Zhou, Sufeng; Li, Shaoshan; Li, Changzheng

    2016-03-01

    Many anticancer drugs used in the clinical have potent metal chelating ability. The formed metal complex(es) may exhibit improved (or antagonistic) antitumor activity. However, the underlying mechanism has received limited attention. Therefore, investigation of the mechanism involved in the change upon chelation is required to extend our understanding of the effects of various drugs. In the present study, the proliferation inhibition effect of benzaldehyde nitrogen mustard-2-pyridine carboxylic acid hydrazone (BNMPH) and its copper complex on tumor cell lines was investigated. The copper chelate exhibited almost a 10-fold increase in antitumor activity (with IC50 copper complex induced reactive oxygen species (ROS) generation, and caused upregulation of caspase 8 and Bax as well as the downregulation of Bcl-2, indicating that apoptosis was involved in the cytotoxic effects. DNA fragmentation noted in the comet assay further supported ROS involvement. The present study indicated that BNMPH and its copper complex effectively induced S phase arrest and the cell cycle arrest was associated with the downregulation of cyclin D1. The formation of acidic vesicular organelles (AVOs) and an increase in cleaved LC3-II demonstrated that autophagy occurred in the HepG2 cells treated with the agents. Taken together, BNMPH and its copper complex exhibited proliferation inhibition via apoptosis, cell cycle arrest and autophagy, which was dependent on ROS. The enhanced antitumor activity of the copper complex was due to its redox-cycling ability, but the mechanism was not altered compared to BNMPH. Our findings may significantly contribute to the understanding of the anti-proliferative effect of BNMPH and its copper complex.

  9. A facile, solvent and catalyst free, microwave assisted one pot synthesis of hydrazinyl thiazole derivatives

    Directory of Open Access Journals (Sweden)

    D. Chinnaraja

    2015-03-01

    Full Text Available A rapid synthesis of hydrazinyl thiazoles under solvent and catalyst free condition is reported within 30 s. A series of aryl ketones/4-benzoyl pyridine thiosemicarbazone, thiosemicarbazide and α-haloketones were used. This is an environmentally benign microwave assisted and efficient method for rapid synthesis of hydrazinyl thiazoles.

  10. A vanillin derivative causes mitochondrial dysfunction and triggers oxidative stress in Cryptococcus neoformans.

    Science.gov (United States)

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

    2014-01-01

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

  11. A vanillin derivative causes mitochondrial dysfunction and triggers oxidative stress in Cryptococcus neoformans.

    Directory of Open Access Journals (Sweden)

    Jin Hyo Kim

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

  12. Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl-4-Phenyl-1,10-Phenanthroline Derivative Compounds

    Directory of Open Access Journals (Sweden)

    Nazudin

    2012-08-01

    Full Text Available A unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl-4-phenyl-1,10-phenanthroline (5 derivatives from 4-methoxy-benzaldehyde (1, acetophenone (2, and 8-aminoquinoline (4 with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1-N-methyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (6 and (1-N-ethyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (7 with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7 against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7.

  13. Studies on the Synthesis and Reactivity of Novel Benzofuran-2-yl-[3-Methyl-3-Phenylcyclobutyl] Methanones and their Antimicrobial Activity

    Directory of Open Access Journals (Sweden)

    Cavit Kazaz

    2005-08-01

    Full Text Available Preparation in excellent yields of cyclobutyl benzofuran-2-yl- and naphthofuran- 2-yl-ketones, the corresponding ketoximes and thiosemicarbazones, ether derivatives of the ketoximes and thiazoles derived from the thiosemicarbazones are described. Two of the synthesized compounds have been tested against eight different microorganisms and found to be active against some of the species studied.

  14. thiosemicarbazone complexes as single-source precursors

    Indian Academy of Sciences (India)

    These nanocrystallites were characterized by powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), selected area electron diffraction, UV–Vis, PL and Raman spectroscopic techniques. From TEM images, the average grain size of asprepared cobalt sulphide nanocrystallites was ...

  15. complexes with thiophene based N -substituted thiosemicarbazones

    Indian Academy of Sciences (India)

    )2]·2MeOH 1, [Ag2Cl2(κ1-S-. Httsc-NPh)2(μ-S ... Further, the sulfur donor atoms have shown variable coordination modes in complexes, namely, κ1-S in 1 and 3; ..... which reveal that Ag2Br2 core forms a parallelogram. Other important bond ...

  16. Palladium complexes of pyrrole-2-aldehyde thiosemicarbazone ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 5. Palladium complexes ... Bhattacharya. Special issue on Chemical Crystallography Volume 126 Issue 5 September 2014 pp 1547-1555 ... Bhattacharya1. Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, Kolkata 700 032, India ...

  17. Synthesis and Biological Evaluation of Novel Thiosemicarbazone ...

    African Journals Online (AJOL)

    NICO

    tron density synthesis was 0.139 e–/Е3 and the largest hole was. –0.675 e–/Е3 with an RMS deviation of 0.047 e–/Е3. On the basis of the final model, the calculated density was 1.353 g/cm3 and. F(000), 1248 e–. Crystallographic data for the structure have been deposited with the Cambridge Crystallographic Data Centre ...

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

    Science.gov (United States)

    Kuś, Piotr Marek; Jerković, Igor; Tuberoso, Carlo Ignazio Giovanni; Šarolić, Mladenka

    2013-09-01

    The volatile profiles of rare Malus domestica Borkh. honey were investigated for the first time. Two representative samples from Poland (sample I) and Spain (sample II) were selected by pollen analysis (44-45% of Malus spp. pollen) and investigated by GC/FID/MS after headspace solid-phase microextraction (HS-SPME) and ultrasonic solvent extraction (USE). The apple honey is characterized by high percentage of shikimic acid-pathway derivatives, as well as terpenes, norisoprenoids, and some other compounds such as coumaran and methyl 1H-indole-3-acetate. The main compounds of the honey headspace were (sample I; sample II): benzaldehyde (9.4%; 32.1%), benzyl alcohol (0.3%; 14.4%), hotrienol (26.0%, 6.2%), and lilac aldehyde isomers (26.3%; 1.7%), but only Spanish sample contained car-2-en-4-one (10.2%). CH2 Cl2 and pentane/Et2 O 1 : 2 (v/v) were used for USE. The most relevant compounds identified in the extracts were: benzaldehyde (0.9-3.9%), benzoic acid (2.0-11.2%), terpendiol I (0.3-7.4%), coumaran (0.0-2.8%), 2-phenylacetic acid (2.0-26.4%), methyl syringate (3.9-13.1%), vomifoliol (5.0-31.8%), and methyl 1H-indole-3-acetate (1.9-10.2%). Apple honey contained also benzyl alcohol, 2-phenylethanol, (E)-cinnamaldehyde, (E)-cinnamyl alcohol, eugenol, vanillin, and linalool that have been found previously in apple flowers, thus disclosing similarity of both volatile profiles. Copyright © 2013 Verlag Helvetica Chimica Acta AG, Zürich.

  19. Dimension and deriving manner for derived quantities

    International Nuclear Information System (INIS)

    Zhao Zhixiang

    1993-01-01

    Most physical quantities we are interested in are derived from some directly measured physical quantities. To obtain correct least-square result in derived quantity space, one must pay attention to inconsistencies problem to avoid ppp phenomenon in generating derived quantities and their covariance matrix. The situation is complicated by the problems of dimension and deriving manner for derived quantities. Some more general problems, which are independent of ppp, are discussed

  20. Discovery and biological evaluation of some (1H-1,2,3-triazol-4-yl)methoxybenzaldehyde derivatives containing an anthraquinone moiety as potent xanthine oxidase inhibitors.

    Science.gov (United States)

    Zhang, Ting-Jian; Li, Song-Ye; Yuan, Wei-Yan; Wu, Qing-Xia; Wang, Lin; Yang, Su; Sun, Qi; Meng, Fan-Hao

    2017-02-15

    A series of (1H-1,2,3-triazol-4-yl)methoxybenzaldehyde derivatives containing an anthraquinone moiety were synthesized and identified as novel xanthine oxidase inhibitors. Among them, the most promising compounds 1h and 1k were obtained with IC 50 values of 0.6μM and 0.8μM, respectively, which were more than 10-fold potent compared with allopurinol. The Lineweaver-Burk plot revealed that compound 1h acted as a mixed-type xanthine oxidase inhibitor. SAR analysis showed that the benzaldehyde moiety played a more important role than the anthraquinone moiety for inhibition potency. The basis of significant inhibition of xanthine oxidase by 1h was rationalized by molecular modeling studies. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Design and synthesis of an indol derivative as antibacterial agent against Staphylococcus aureus.

    Science.gov (United States)

    Lenin, Hau-Heredia; Lauro, Figueroa-Valverde; Marcela, Rosas-Nexticapa; Socorro, Herrera-Meza; Maria, López-Ramos; Francisco, Díaz-Cedillo; Elodia, García-Cervera; Eduardo, Pool-Gómez; Josefa, Paat-Estrella; Regina, Cauich-Carrillo; Saidy, Euan-Hau

    2017-10-01

    Several indole derivatives with antibacterial activity have been prepared using different protocols; however, some require special reagents and conditions. The aim of this study involved the synthesis of some indole derivatives using estrone and OTBS-estrone as chemical tools. The synthesis of the indole derivatives involves reactions such as follows: (1) synthesis of two indol derivatives ( 4 or 5 ) by reaction of estrone or OTBS-estrone with phenylhydrazine in medium acid; (2) reaction of 4 or 5 with 6-cloro-1-hexyne in medium basic to form two hexynyl-indol ( 7 or 8 ); (3) preparation of indol-propargylic alcohol derivatives ( 10 or 11 ) by reaction of benzaldehyde with 7 or 8 in medium basic; (4) synthesis of indol-aldehydes ( 12 or 13 ) via oxidation of 10 or 11 with DMSO; (5) synthesis of indeno-indol-carbaldehyde ( 15 or 16 ) via alkynylation/cyclization of 12 or 13 with hexyne in presence of copper(II); (6) preparation indeno-indol-carbaldehyde complex ( 19 or 20 ) via alkynylation/cyclization of 12 or 13 with 1-(hex-5-yn-1-yl)-2-phenyl-1 H -imidazole. The antibacterial effect exerted by the indol-steroid derivatives against Streptococcus pneumoniae and Staphylococcus aureus bacteria was evaluated using dilution method and the minimum inhibitory concentration (MIC). The results showed that only the compound 19 inhibit the growth bacterial of S. aureus . In conclusion, these data indicate that antibacterial activity of 19 can be due mainly to functional groups involved in the chemical structure in comparison with the compounds studied.

  2. Synthesis, characterization and biological activities of novel chalcone derivatives, containing 4, 7-ethanoisoindole-1,3-dione units

    Directory of Open Access Journals (Sweden)

    Mustafa Ceylan

    2013-09-01

    Full Text Available Novel chalcone derivatives, containing 4, 7-ethanoisoindole-1,3-dione units were synthesized starting from 1,3-cyclohexadine (4 and maleic anhydride (5. Addition of maleic anhydride (5 to 1,3-cyclehexadine (4 gave an endo-adduct, 3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione (6, in 90% yield. Heating the solution of the adduct dione (6 and 1-(4-aminophenylethanone (7 in the presence of Et 3N in toluene at 110 oC for 24 hours afforded 2-(4-acetylphenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3-dione (8 in high yield. Piperidine-catalyzed addition of benzaldehyde derivatives (9a-i to the compound 8 in CH 2Cl 2 at 55 oC gave the expected chalcone derivatives (10-i in the range of 42% - 96% yields. The antibacterial activities of the chalcone derivatives (10a-i were evaluated against human pathogenic microorganism and the compounds showed low activity compared to the standard, name of the standard.

  3. Enhancement of reaction rates for catalytic benzaldehyde ...

    Indian Academy of Sciences (India)

    High-pressure carbon dioxide; high-temperature liquid water; carbonic acid. 1. Introduction. We have succeeded to ... Also, cost-consuming troublesome proce- dures are needed for neutralization of acid, and salts .... high hydrogen solubility to organic phase may cause the enhancement of the hydrogenation yield by ...

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

    Science.gov (United States)

    Keawwangchai, Tasawan; Morakot, Nongnit; Wanno, Banchob

    2013-03-01

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

  5. Synthesis and Spectroscopic Characterization of Some New Biological Active Azo–Pyrazoline Derivatives

    Directory of Open Access Journals (Sweden)

    Farouq E. Hawaiz

    2012-01-01

    Full Text Available A number of 3-[4-(benzyloxy-3-(2-Chlorophenylazo-phenyl]-5-(substituted-phenyl-1-substituted-2-pyrazolines( 4a-j and (5a-j have been synthesized by diazotization of 2-chloroaniline and its coupling reaction with 4-hydroxy acetophenone, followed by benzyloxation of the hydroxyl group to give the substrate [4-benzyloxy-3-(2-chlorophenylazo-acetophenone (1].The prepared starting material (1 has been reacted with different substituted benzaldehydes to give a new series of chalcone derivatives 1-[(4-benzyloxy-3-(2-chloro-phenylazo-phenyl]-3-(substituted phenyl-2-propen-1-one (3a-j, in high yields and in a few minutes, and the later compounds were treated with hydrazine hydrate according to Michael addition reaction to afford a new biolological active target compounds (4a-j and (5a-j. Furthermore, The structures of the newly synthesized compounds were confirmed by FT-IR, 13C-NMR,13C-DEPT & 1H-NMR spectral data. The chalcone and pyrazoline derivatives were evaluated for their anti bacterial activity against Escherichia coli as gram negative and Staphylococcus aureus as gram positive, the results showed significant activity against both types of bacteria.

  6. Studies on Synthesis of Some Novel Heterocyclic Chalcone, Pyrazoline, Pyrimidine - 2 - One, Pyrimidine - 2 - Thione, para-Acetanilide Sulphonyl and Benzoyl Derivatives and their Antimicrobial Activity

    Directory of Open Access Journals (Sweden)

    Rakesh N. Mistry

    2005-01-01

    Full Text Available 1, 2 - Dichloro benzene on chlorosulphonation by chlorosulphonic acid gives 1, 2 - [dichloro] - benzene sulphonyl chloride which on condensation with p –amino acetophenone gives 1-[acetyl] - 1’ , 2’ - [dichloro] - dibenz sulphonamide derivative. This derivative undergo condensation with 2,4- dichloro benzaldehyde gives 1- [3” - (sub. phenyl - 2” - propene - 1” - one] - 1’ , 2’ - [dichloro] - dibenz sulphonamide derivative which on reaction with 99% hydrazine hydrate and glacial acetic acid gives 1-[acetyl]-3- [1’ , 2’ - (dichloro - dibenz sulphonamide] -5 - [2” , 4” - dichloro phenyl] - 2 - pyrazoline derivative. This derivative reacts with various substituted aldehydes to give corresponding substituted chalcone derivatives [1(a-j]. Now, these chalcone derivatives [1(a-j] on condensation with urea gives corresponding substituted pyrimidine - 2 - one derivatives [2(a-j] and on condensation with thio-urea gives corresponding substituted pyrimidine- 2 -thione derivatives [3(a-j]. Further, these chalcone derivatives [1(a-j] on reaction with 99% hydrazine hydrate gives 1 - [1’ - (H - 5’ - (sub. phenyl - 2’ - pyrazoline]- 3 - [1” , 2” - (dichloro - dibenz sulphonamide] - 5 - [2’’’ , 4’’’ - dichloro phenyl]-2- pyrazoline derivatives [4(a-j] as an intermediate compounds, which on condensation with p-acetanilide sulphonyl chloride gives corresponding substituted p - acetanilide sulphonyl derivatives [5(a-j] and on condensation with benzoyl chloride gives corresponding substituted benzoyl derivatives [6(a-j]. Structure elucidation of synthesised compounds has been made on the basis of elemental analysis, I.R. spectral studies and 1H N.M.R. spectral studies. The antimicrobial activity of the synthesised compounds has been studied against the cultures “Staphylococcus aureus”, “Escherichia coli” and “Candela albicans”.

  7. Synthesis of naphthoxazinone derivatives using silica-bonded S ...

    Indian Academy of Sciences (India)

    acid as catalyst under solvent-free conditions. KHODABAKHSH NIKNAM∗ ... conditions. The heterogeneous catalyst was recycled for five runs after the reaction of β-naphthol, benzaldehyde and urea without losing its catalytic activity. Keywords. .... through a short column chromatography using n-hexane/ ethyl acetate as ...

  8. Interest rate derivatives

    DEFF Research Database (Denmark)

    Svenstrup, Mikkel

    This Ph.D. thesis consists of four self-contained essays on valuation of interest rate derivatives. In particular derivatives related to management of interest rate risk care are considered.......This Ph.D. thesis consists of four self-contained essays on valuation of interest rate derivatives. In particular derivatives related to management of interest rate risk care are considered....

  9. Generalized Riemann derivative

    Directory of Open Access Journals (Sweden)

    Sorin Radulescu

    2013-03-01

    Full Text Available Initiated by Marshall Ash in 1966, the study of generalized Riemann derivative draw significant attention of the mathematical community and numerous studies where carried out since then. One of the major areas that benefits from these developments is the numerical analysis, as the use of generalized Riemann derivatives leads to solving a wider class of problems that are not solvable with the classical tools. This article studies the generalized Riemann derivative and its properties and establishes relationships between Riemann generalized derivative and the classical one. The existence of classical derivative implies the existence of the Riemann generalized derivative, and we study conditions necessary for the generalized Riemann derivative to imply the existence of the classical derivative. Furthermore, we provide conditions on the generalized Riemann derivative that are sufficient for the existence of the classical derivative.

  10. Quinoline derivatives bearing pyrazole moiety: Synthesis and biological evaluation as possible antibacterial and antifungal agents.

    Science.gov (United States)

    El Shehry, Mohamed F; Ghorab, Mostafa M; Abbas, Samir Y; Fayed, Eman A; Shedid, Said A; Ammar, Yousry A

    2018-01-01

    In an attempt for development of new antimicrobial agents, three series of quinoline derivatives bearing pyrazole moiety have been synthesized. The first series was synthesized through the synthesis of 4-(quinolin-2-yloxy)benzaldehyde and 4-(quinolin-2-yloxy)acetophenone and then treatment with ketone or aldehyde derivatives to afford the corresponding chalcones. Cyclization of the latter chalcones with hydrazine derivatives led to the formation of new pyrazoline derivatives. The second series was synthesized via the synthesis of 2-hydrazinylquinoline and then treatment with formylpyrazoles to afford the corresponding hydrazonyl pyrazole derivatives. The third series was synthesized through the treatment of 2-hydrazinylquinoline with ethoxyethylidene, dithioacetal and arylidene derivatives to afford the corresponding pyrazole derivatives. The synthesized compounds were evaluated for their expected antibacterial and antifungal activities; where, the majority of these compounds showed potent antibacterial and antifungal activities against the tested strains of bacteria and fungi. Pyrazole derivative 13b showed better results when compared with the reference drugs as revealed from their MIC values (0.12-0.98 μg/mL). The pyrazole derivative 13b showed fourfold potency of gentamycin in inhibiting the growth of S. flexneri (MIC 0.12 μg/mL). Also, compound 13b showed fourfold potency of amphotericin B in inhibiting the growth of A. clavatus (MIC 0.49 μg/mL) and C. albicans (MIC 0.12 μg/mL), respectively. The same compound showed twofold potency of gentamycin in inhibiting the growth of P. vulgaris (MIC 0.98 μg/mL), equipotent to the ampicillin and amphotericin B in inhibiting the growth of S. epidermidis (MIC 0.49 μg/mL), A. fumigatus (MIC 0.98 μg/mL), respectively. Thus, these studies suggest that quinoline derivatives bearing pyrazole moiety are interesting scaffolds for the development of novel antibacterial and antifungal agents. Copyright © 2017

  11. Synthesis, characterization and biological studies of copper(II) complexes with 2-aminobenzimidazole derivatives

    Science.gov (United States)

    Joseph, J.; Suman, A.; Nagashri, K.; Joseyphus, R. Selwin; Balakrishnan, Nisha

    2017-06-01

    Novel series of four copper(II) complexes with 2-aminobenzimidazole derivatives (obtained from the Knoevenagel condensate of acetylacetone (obtained from acetylacetone and halogen substituted benzaldehydes) and 2-aminobenzimidazole) were synthesized. They were structurally characterized using elemental analysis, molar conductance, FAB mass, FT- IR, 1H &13C-NMR, UV-Vis., and EPR techniques. On the basis of analytical and spectral studies, the distorted square planar geometry was assigned for all the complexes. The antibacterial screening of the ligands and their copper complexes indicated that all the complexes showed higher anti microbial activities than the free ligands. Superoxide dismutase and antioxidant activities of the copper complexes have also been performed. In the electrochemical technique, the shift in ΔEp, E1/2 and Ipc values were explored for the interaction of the complexes with CT-DNA. During the electrolysis process, the present ligand system stabilizes unusual oxidation state of copper in the complexes. It is believed that the copper complexes with curcumin analogs may enhance chemotherapeutic behavior.

  12. Green One-pot Synthesis of Novel Polysubstituted Pyrazole Derivatives as Potential Antimicrobial Agents.

    Science.gov (United States)

    Beyzaei, Hamid; Motraghi, Zahra; Aryan, Reza; Zahedi, Mohammad Mehdi; Samzadeh-Kermani, Alireza

    2017-12-01

    Various biological properties of natural and synthetic pyrazole derivatives such as anti-inflammatory, antimicrobial, neuroprotective, anticonvulsant, antidepressant and anticancer activities encouraged us to propose a new, fast, green and eco-friendly procedure for the preparation of some novel 5-amino-3-(aryl substituted)-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carbonitriles. They were efficiently synthesized via one-pot two-step process reaction of malononitrile, 2,4-dinitrophenylhydrazine and different benzaldehydes in deep eutectic solvent (DES) glycerol/potassium carbonate. The products yield and reaction times were considerably improved in the presence of applied DES. Antibacterial effects of all newly synthesized pyrazoles in comparison with several common antibiotics were evaluated against a variety of Gram-positive and Gram-negative pathogenic bacteria. In addition to, their inhibitory activities on three fungi were compared to some current antifungal agents. The moderate to good antimicrobial potentials particularly against fungi were observed in the major heterocyclic compounds according to the IZD, MIC, MBC and MFC results.

  13. Study on the colorimetric properties of 2,4,6-triarylpyridine derivative compound for imaging Formaldehyde

    Science.gov (United States)

    Ovianto, D.; Ma’ruf, F. A. R.; Fadilah, N. N.; Sugiharta, I. B. A. R.; Purwono, B.

    2017-11-01

    The derivative compound of 2,4,6-triarylpyridine was synthesized in two steps. The target compound was tested as colorimetric chemosensor against formaldehyde and the limit of detection was also determined using spectrophotometer UV-vis. The first step of the synthesis was the formation of 4-phenyl-2,6-bis(4-nitrophenyl)pyridine compound (1) from 4-nitroacetophenon and benzaldehyde. The second step of the synthesis was the formation of 4-phenyl-2,6-bis-(4-aminophenyl)pyridine (2) from reduction of the nitro group in compound 1 by HCl 37% solution and Sn metal. Compound 1 and 2 were characterized by spectrometers FTIR, 1H NMR and direct inlet-mass spectrometry. The results showed that compound 1 was synthesized with a yield of 78.3% and compound 2 with a yield of 68.9%. Compound 2 as chemosensor showed color transition from colorless to yellow in chemosensor test against formaldehyde in ethanol solvent. The limit of detection of formaldehyde was measured as 4.7×10-3 M using spectrophotometer UV-vis.

  14. Hydrogen-bonding interactions in thiosemicarbazones of carboxylic acids: Structure of 2-ketobutyric acid thiosemicarbazone hemihydrate

    International Nuclear Information System (INIS)

    Sonawane, P.; Chikate, R.; Kumbhar, A.; Padhye, S.; Doedens, R.J.

    1991-01-01

    2-Thiosemicarbazonobutanoic acid hemihydrate, C 5 H 9 N 3 O 2 S.0.5H 2 O, M r =184.22, triclinic, Panti 1, a=8.163(2), b=8.868(2), c=12.438(2) A, α=72.99(2), β=79.47(2), γ=84.06(2)deg, V=845.3(3) A 3 , Z=4, D x =1.447 Mg m -3 , λ(Mo Kα)=0.71073 A, μ=0.332 mm -1 , F(000)=392, T=296 K, R=0.038 for 3830 independent reflections with I>3σ(I). Three hydrogen bonds link the two crystallographically independent molecules in a pairwise fashion. The two molecules both have E configurations about each C-N and N-N bond, but differ by nearly 180deg in the orientation of the -COOH group. (orig.)

  15. A Convenient Ultrasound-Promoted Synthesis of Some New Thiazole Derivatives Bearing a Coumarin Nucleus and Their Cytotoxic Activity

    Directory of Open Access Journals (Sweden)

    Sobhi M. Gomha

    2012-08-01

    Full Text Available Successful implementation of ultrasound irradiation for the rapid synthesis of a novel series of 3-[1-(4-substituted-5-(aryldiazenylthiazol-2-ylhydrazonoethyl]-2H-chromen-2-ones 5ah, via reactions of 2-(1-(2-oxo-2H-chromen-3-ylethylidene thiosemicarbazide (2 and the hydrazonoyl halides 3(4, was demonstrated. Also, a new series of 5-arylidene-2-(2-(1-(2-oxo-2H-chromen-3-ylethylidenehydrazinylthiazol-4(5H-ones 10ad were synthesized from reaction of 2 with chloroacetic acid and different aldehydes. Moreover, reaction of 2-cyano-N'-(1-(2-oxo-2H-chromen-3-ylethylidene-acetohydrazide (12 with substituted benzaldehydes gave the respective arylidene derivatives 13ac under the conditions employed. The structures of the synthesized compounds were assigned based on elemental analyses and spectral data. Also, the cytototoxic activities of the thiazole derivative 5a was evaluated against HaCaT cells (human keratinocytes. It was found that compound 5a possess potent cytotoxic activity.

  16. Derivatives in emerging markets

    OpenAIRE

    Dubravko Mihaljek; Frank Packer

    2010-01-01

    Turnover of derivatives has grown more rapidly in emerging markets than in developed countries. Foreign exchange derivatives are the most commonly traded of all risk categories, with increasingly frequent turnover in emerging market currencies and a growing share of cross-border transactions. As the global reach of the financial centres in emerging Asia has expanded, the offshore trading of many emerging market currency derivatives has risen as well. Growth in derivatives turnover is positive...

  17. The Ungraded Derived Category

    OpenAIRE

    Stai, Torkil Utvik

    2012-01-01

    By means of the ungraded derived category we prove that the orbit category of the bounded derived category of an iterated tilted algebra with respect to translation is triangulated in such a way that the canonical functor from the bounded derived category to the orbit category becomes a triangle functor.

  18. Higher derivative mimetic gravity

    Science.gov (United States)

    Gorji, Mohammad Ali; Mansoori, Seyed Ali Hosseini; Firouzjahi, Hassan

    2018-01-01

    We study cosmological perturbations in mimetic gravity in the presence of classified higher derivative terms which can make the mimetic perturbations stable. We show that the quadratic higher derivative terms which are independent of curvature and the cubic higher derivative terms which come from curvature corrections are sufficient to remove instabilities in mimetic perturbations. The classified higher derivative terms have the same dimensions but they contribute differently in the background and perturbed equations. Therefore, we can control both the background and the perturbation equations allowing us to construct the higher derivative extension of mimetic dark matter and the mimetic nonsingular bouncing scenarios. The latter can be thought as a new higher derivative effective action for the loop quantum cosmology scenario in which the equations of motion coincide with those suggested by loop quantum cosmology. We investigate a possible connection between the mimetic cosmology and the Randall-Sundrum cosmology.

  19. Taxation of Derivatives

    DEFF Research Database (Denmark)

    Dyppel, Katja Joo

    2013-01-01

    are known as futures, forwards, options and swaps. Derivatives are traded for the purpose of hedging financial or business risk, speculating in future spot prices and taking advantage of arbitrage opportunities. This market has increased tremendously in recent years. The term derivative is not used......The main objective for this thesis is to analyse and systematise the Danish legislation on taxation of derivatives. According to financial terminology, a derivative is a financial instrument. Its value is derived from changes in the value of one or more underlying assets.The most common derivatives...... in the Danish tax legislation. However, contracts known as forwards (terminskontrakter) and options (aftaler om køberetter og salgsretter) are generally included in the term financials contracts covered by the Danish Act on Taxation of Gains and Losses on Claims and Debt. The main part of the analysis deals...

  20. Spectral studies, thermal investigation and biological activity of some metal complexes derived from (E)-N‧-(1-(4-aminophenyl)ethylidene)morpholine-4-carbothiohydrazide

    Science.gov (United States)

    El-Samanody, El-Sayed A.; Polis, Magdy W.; Emara, Esam M.

    2017-09-01

    A new series of biologically active Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes derived from the novel thiosemicarbazone ligand; (E)-N‧-(1-(4-aminophenyl)ethylidene)morpholine-4-carbothiohydrazide (HL) were synthesized. The mode of bonding of the ligand and the geometrical structures of its metal complexes were achieved by different analytical and spectral methods. The ligand coordinated with metal ions in a neutral bidentate fashion through the thione sulfur and azomethine nitrogen atoms. All metal complexes adopted octahedral geometry, except Cu(II) complexes (3, 6, 7) which have a square planar structure. The general thermal decomposition pathways of the ligand along with its metal complexes were explained. The thermal stability of the complexes is controlled by the number of outer and inner sphere water molecules, ionic radii and the steric hindrance. The activation thermodynamic parameters; (activation energy (E*), enthalpy of activation (ΔH*), entropy of activation (ΔS*) and Gibbs free energy (ΔG*)) along with order of reaction (n) were estimated from DTG curves. The ESR spectra of Cu(II) complexes indicated that (dx2-y2)1 is the ground state with covalence character of metal-ligand bonds. The molluscicidal and biochemical effects of the ligand and its Ni(II); Cu(II) complexes (2; 3, 5, 7) along with their combinations with metaldehyde were screened in vitro on the mucous gland of Eobania vermiculata. The tested compounds exhibited a significant toxicity against the tested animals and have almost the same toxic effect of metaldehyde which increases the mucous secretion of the snails and leads to death.

  1. Global Derivatives Market

    Directory of Open Access Journals (Sweden)

    Stankovska Aleksandra

    2017-06-01

    Full Text Available Globalization of financial markets led to the enormous growth of volume and diversification of financial transactions. Financial derivatives were the basic elements of this growth. Derivatives play a useful and important role in hedging and risk management, but they also pose several dangers to the stability of financial markets and thereby the overall economy. Derivatives are used to hedge and speculate the risk associated with commerce and finance.

  2. Numerical derivation in optimization

    International Nuclear Information System (INIS)

    Abadie, J.; Salhi, Y.

    1988-01-01

    Newton's method for function minimization possesses an outstanding property. Its final quadratic convergence under very weak hypothesis, but also some drawbacks, among which (i) the possibility of non convergence when starting far from the solution sought and (ii) the necessity of computing (and then programming) the first and second partial derivatives. We show in this paper how to avoid both difficulties, assuming however that the first partial derivatives are computed by exact formulae. The second partial derivatives are computed by central differences of first derivatives. The difference step h is calculated so as to establish a trade-off between accuracy and computation speed. Encouraging numerical experiments support the proposed method [fr

  3. 4-Aminoquinoline derivatives

    DEFF Research Database (Denmark)

    Singh, Shailja; Agarwal, Drishti; Sharma, Kumkum

    2016-01-01

    Synthetic quinoline derivatives continue to be considered as candidates for new drug discovery if they act against CQ-resistant strains of malaria even after the widespread emergence of resistance to CQ. In this study, we explored the activities of two series of new 4-aminoquinoline derivatives a...

  4. The Dangers of Derivatives.

    Science.gov (United States)

    Blumenstyk, Goldie

    1994-01-01

    Heavy investment in derivatives, whose value derives from the price movement of some underlying security, has meant heavy losses for some colleges and universities despite the fact that institutional investors are required to assure that they understand the risks of such investment. (MSE)

  5. Vitamin D derivatives

    International Nuclear Information System (INIS)

    Deluca, H.F.; Schnoes, H.K.; Napoli, J.L.; Fivizzani, M.A.

    1982-01-01

    The chemical preparation of 26,27-isotopically labelled vitamin D 3 derivatives of high specific activity is described. These labelled vitamin D derivatives are useful in the determination of vitamin D metabolite levels in the blood and tissues of man and animals. (U.K.)

  6. Synthesis and antiedematogenic activity of some N-tryptophyl-5-benzylidene-2,4-thiazolidinedione and N-tryptophyl-5-benzylidene-rhodanine derivatives; Sintese e atividade antiedematogenica de derivados N-triptofil-5-benzilideno-2,4-tiazolidinadiona e N-triptofil-5-benzilideno-rodanina

    Energy Technology Data Exchange (ETDEWEB)

    Goes, Alexandre Jose da Silva; Lima, Waldir Tavares de; Nagy, Helena Juliana [Pernambuco Univ., Recife, PE (Brazil). Dept. de Antibioticos]. E-mail: ajsg@ufpe.br; Alves, Antonio Jose; Faria, Antonio Rodolfo de; Lima, Jose Gildo de [Pernambuco Univ., Recife, PE (Brazil). Dept. de Ciencias Farmaceuticas; Maia, Maria Bernadete de Souza [Pernambuco Univ., Recife, PE (Brazil). Dept. de Fisiologia e Farmacologia

    2004-12-01

    Derivatives of N tryptophyl-5-benzylidene-2,4-thiazolidinedione (7a-c) and N-tryptophyl-5-benzylidene-rhodanine (7d-f) were prepared by condensation of the intermediates 5 and 6 with different benzaldehydes, respectively. Their structural elucidation was carried through by IR, {sup 1}H NMR and MS. The acute toxicity and antiedematogenic activity of the compounds 7b,c and 7e,f were evaluated. The data did not reveal any sign of toxicity, and no mortality was registered. As indomethacin (10 mg/kg; v.o.), the antiedematogenic activity of the compounds 7b (50 mg/kg; v.o.) and 7e, 7f (50 or 100 mg/kg; v.o.) against carrageenan-induced paw edema was verified at time intervals of 180 min. (author)

  7. Síntese e atividade antiedematogênica de derivados N-triptofil-5-benzilideno-2,4-tiazolidinadiona e N-triptofil-5-benzilideno-rodanina Synthesis and antiedematogenic activity of some N-trypthophyl-5-benzylidene-2,4-thiazolidinedione and N-trypthophyl-5-benzylidene-rhodanine derivatives

    Directory of Open Access Journals (Sweden)

    Alexandre José da Silva Góes

    2004-12-01

    Full Text Available Derivatives of N-tryptophyl-5-benzylidene-2,4-thiazolidinedione (7a-c and N-tryptophyl-5-benzylidene-rhodanine (7d-f were prepared by condensation of the intermediates 5 and 6 with different benzaldehydes, respectively. Their structural elucidation was carried through by IR, ¹H NMR and MS. The acute toxicity and antiedematogenic activity of the compounds 7b,c and 7e,f were evaluated. The data did not reveal any sign of toxicity, and no mortality was registered. As indomethacin (10 mg/kg; v.o., the antiedematogenic activity of the compounds 7b (50 mg/kg; v.o. and 7e, 7f (50 or 100 mg/kg; v.o. against carrageenan-induced paw edema was verified at time intervals of 180 min.

  8. The azobenzene derivatives

    Science.gov (United States)

    Ionita, Ionica; Radulescu, Cristiana; Poinescu, Aurora Anca; Anghelina, Florina Violeta; Bunghez, Raluca; Ion, Rodica-Mariana

    2015-02-01

    Azobenzene derivatives constitute a group of dyes which have photochromic properties and have been investigated as promising systems for diverse applications in the unconventional optic area, their properties can be moulded with help of light.

  9. ASTEROID LIGHTCURVE DERIVED DATA

    Data.gov (United States)

    National Aeronautics and Space Administration — This is a compilation of published rotational parameters derived from lightcurve data for asteroids, based on the Warner et al. (2009) Asteroid Lightcurve Database....

  10. Investigation - Derived Waste Program

    International Nuclear Information System (INIS)

    Beardsley, C.; Anderson, R.

    1998-06-01

    The Investigation-Derived Waste Program is a software application that was developed to identify the groundwater monitoring wells at the Savannah River Site that require containerization and treatment for purge water generated during sampling

  11. Granin-derived peptides.

    Science.gov (United States)

    Troger, Josef; Theurl, Markus; Kirchmair, Rudolf; Pasqua, Teresa; Tota, Bruno; Angelone, Tommaso; Cerra, Maria C; Nowosielski, Yvonne; Mätzler, Raphaela; Troger, Jasmin; Gayen, Jaur R; Trudeau, Vance; Corti, Angelo; Helle, Karen B

    2017-07-01

    The granin family comprises altogether 7 different proteins originating from the diffuse neuroendocrine system and elements of the central and peripheral nervous systems. The family is dominated by three uniquely acidic members, namely chromogranin A (CgA), chromogranin B (CgB) and secretogranin II (SgII). Since the late 1980s it has become evident that these proteins are proteolytically processed, intragranularly and/or extracellularly into a range of biologically active peptides; a number of them with regulatory properties of physiological and/or pathophysiological significance. The aim of this comprehensive overview is to provide an up-to-date insight into the distribution and properties of the well established granin-derived peptides and their putative roles in homeostatic regulations. Hence, focus is directed to peptides derived from the three main granins, e.g. to the chromogranin A derived vasostatins, betagranins, pancreastatin and catestatins, the chromogranin B-derived secretolytin and the secretogranin II-derived secretoneurin (SN). In addition, the distribution and properties of the chromogranin A-derived peptides prochromacin, chromofungin, WE14, parastatin, GE-25 and serpinins, the CgB-peptide PE-11 and the SgII-peptides EM66 and manserin will also be commented on. Finally, the opposing effects of the CgA-derived vasostatin-I and catestatin and the SgII-derived peptide SN on the integrity of the vasculature, myocardial contractility, angiogenesis in wound healing, inflammatory conditions and tumors will be discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Brain derived neurotrophic factor

    DEFF Research Database (Denmark)

    Mitchelmore, Cathy; Gede, Lene

    2014-01-01

    Brain Derived Neurotrophic Factor (BDNF) is a neurotrophin with important functions in neuronal development and neuroplasticity. Accumulating evidence suggests that alterations in BDNF expression levels underlie a variety of psychiatric and neurological disorders. Indeed, BDNF therapies are curre......Brain Derived Neurotrophic Factor (BDNF) is a neurotrophin with important functions in neuronal development and neuroplasticity. Accumulating evidence suggests that alterations in BDNF expression levels underlie a variety of psychiatric and neurological disorders. Indeed, BDNF therapies...

  13. Synthesis of 3-(4, 5-dihydro-1-phenyl-5-substituted phenyl-1H-pyrazol-3-yl-2H-chromen-2-one derivatives and evaluation of their anticancer activity

    Directory of Open Access Journals (Sweden)

    Nitin Kumar

    2017-05-01

    Full Text Available A novel series of 3-(4, 5-dihydro-1-phenyl-5-substituted phenyl-1H-pyrazol-3-yl-2H-chromen-2-one derivatives were synthesized. In the first step salicylaldehyde was reacted with ethylacetoacetate at room temperature by stirring which gives compound (I. Compound (I when refluxed with substituted benzaldehyde and diethylamine in the presence of n-butanol for 4–5 h gives substituted derivatives (IIa–d. Compounds synthesized in step 2 when refluxed with phenyl hydrazine in the presence of pyridine for 6–7 h gives the title compounds (IIIa–d. All the synthesized compounds were sent to NCI for anticancer activity. Synthesized compounds were tested for anticancer activity against 60 different cell lines. From the data thus obtained it was observed that simple coumarin ring derivatives were more effective in inhibiting the growth of cancerous cell lines, than coumarin-pyrazoline derivatives. Among all the synthesized compounds, irrespective of compounds having simple coumarin ring and coumarin-pyrazoline combination, compounds IIa–c, IIIb and IIId were potent anticancer agents. Compounds were active for the single dose therapeutic program at the dose of 1.00E-5 molar concentration. The main anti cancer activity is assumed to be due to the presence of the lactone structure in coumarin moiety.

  14. Spectroscopic studies of the intramolecular hydrogen bonding in o-hydroxy Schiff bases, derived from diaminomaleonitrile, and their deprotonation reaction products

    Science.gov (United States)

    Szady-Chełmieniecka, Anna; Kołodziej, Beata; Morawiak, Maja; Kamieński, Bohdan; Schilf, Wojciech

    2018-01-01

    The structural study of five Schiff bases derived from diaminomaleonitrile (DAMN) and 2-hydroxy carbonyl compounds was performed using 1H, 13C and 15N NMR methods in solution and in the solid state as well. ATR-FTIR and X-Ray spectroscopies were used for confirmation of the results obtained by NMR method. The imine obtained from DAMN and benzaldehyde was synthesized as a model compound which lacks intramolecular hydrogen bond. Deprotonation of all synthesized compounds was done by treating with tetramethylguanidine (TMG). NMR data revealed that salicylidene Schiff bases in DMSO solution exist as OH forms without intramolecular hydrogen bonds and independent on the substituents in aromatic ring. In the case of 2-hydroxy naphthyl derivative, the OH proton is engaged into weak intramolecular hydrogen bond. Two of imines (salDAMN and 5-BrsalDAMN) exist in DMSO solution as equilibrium mixtures of two isomers (A and B). The structures of equilibrium mixture in the solid state have been studied by NMR, ATR-FTIR and X-Ray methods. The deprotonation of three studied compounds (salDAMN, 5-BrsalDAMN, and 5-CH3salDAMN) proceeded in two different ways: deprotonation of oxygen atom (X form) or of nitrogen atom of free primary amine group of DAMN moiety (Y form). For 5-NO2salDAMN and naphDAMN only one form (X) was observed.

  15. Screening of Polish Fir Honeydew Honey Using GC/MS, HPLC-DAD, and Physical-Chemical Parameters: Benzene Derivatives and Terpenes as Chemical Markers.

    Science.gov (United States)

    Kuś, Piotr M; Jerković, Igor; Marijanović, Zvonimir; Tuberoso, Carlo I G

    2017-09-01

    GC/MS of headspace solid phase micro extraction (HS-SPME) and solvent extractives along with targeted HPLC-DAD of Polish fir (Abies alba Mill.) honeydew honey (FHH), were used to determine the chemical profiles and potential markers of botanical origin. Additionally, typical physical-chemical parameters were also assigned. The values determined for FHH were: conductivity (1.2 mS/cm), water content (16.7 g/100 g), pH (4.5), and CIE chromaticity coordinates (L* = 48.4, a* = 20.6, b* = 69.7, C* = 72.9, and h° = 73.5). FHH contained moderate-high total phenolic content (533.2 mg GAE/kg) and antioxidant activity (1.1 mmol TEAC/kg) and (3.2 mmol Fe 2+ /kg) in DPPH and FRAP assays. The chemical profiles were dominated by source plant-originated benzene derivatives: 3,4-dihydroxybenzoic acid (up to 8.7 mg/kg, HPLC/honey solution), methyl syringate (up to 14.5%, GC/solvent extracts) or benzaldehyde (up to 43.7%, GC/headspace). Other markers were terpenes including norisoprenoid (4-hydroxy-3,5,6-trimethyl-4-(3-oxobut-1-enyl)cyclohex-2-en-1-one, up to 20.3%, GC/solvent extracts) and monoterpenes, mainly linalool derivatives (up to 49%, GC/headspace) as well as borneol (up to 5.9%, GC/headspace). The application of various techniques allowed comprehensive characterisation of FHH. 4-Hydroxy-3,5,6-trimethyl-4-(3-oxobut-1-enyl)cyclohex-2-en-1-one, coniferyl alcohol, borneol, and benzaldehyde were first time proposed for FHH screening. Protocatechuic acid may be a potential marker of FFH regardless of the geographical origin. © 2017 Wiley-VHCA AG, Zurich, Switzerland.

  16. Radiosensitization and relative mechanisms of vanillin derivative BVAN08 on human glioma U-251 cells

    International Nuclear Information System (INIS)

    Wang Shubin; Zhang Bo; Sun Weijian; Wang Yu; Liu Xiaodan; Xu Qinzhi; Zhou Pingkun

    2010-01-01

    Objective: To provide more convincing evidences and experimental data for exploring vanillin derivative BVAN08, 6-bromine-5-hydroxy-4-methoxy-benzaldehyde, as a new anticancer drug, and to investigate the effect on the growth, radiosensitization of human glioma cell line U-251 and the relative mechanism. Methods: The effect of BVAN08 on cell proliferation of U-251 and radiosensitivity to 60 Co γ-rays (irradiation dose rate 2.3 Gy/min) were analyzed with MTT and colony-forming ability assay. Change in cellular morphology was observed by using light microscope. Change in cell cycle and apoptosis was detected with flow cytometry. The autophagy was observed by using TEM (irradiation dose rate is transmission electron microscope). DNA-PKcs protein level was detected through Western blot analysis. Results: BVAN08 exhibited a dose- and time-dependent inhibition on the proliferation of U-251 cells during the concentration range of 10-100 mol/L (t=1.83-3.07, P 50 at 48 h and 72 h after administration with BVAN08 were 55.3 and 52.7 mol/L, respectively. Obvious G 2 /M arrest was induced in U-251 cells after 4 h administration with BVAN08, and reached peck at 12 h. The G 2 /M population reached 63.3% in U-251 cells after 12 h administration of 60 μmol/L BVAN08 and kept increasing with the time, while both apoptosis and autophagic cell death were induced. The most effective radiosensitization time for BVAN08 treatment was 12 h before irradiation. The enhancement ratio of radiosensitivity was 3.14 for 20 μmol/L of BVAN08 12 h before 2 Gy irradiation. Conclusions: BVAN08 can induce apoptosis as radiosensitizing effect might be associated with the induction of G 2 /M arrest and inhibition of DNA-PKcs expression. BVAN08 seemed to be a promising radiosensitizing anticancer drug. (authors)

  17. Asia Pacific energy derivatives

    International Nuclear Information System (INIS)

    Fusaro, P.C.

    1997-09-01

    Asia Pacific Energy Derivatives, from FT Energy, is the first report of its kind to examine the growth of energy derivatives within Asia Pacific and their increasing importance within this region. It provides a comprehensive overview of the subject, including analysis of: deregulation as a market driver; the impact of privatisation; the future for energy risk management tools; the unique characteristics of the Asia Pacific energy market; the role of futures exchanges in Asia; existing indexes and their performance; the differences between the Asia Pacific markets and their more mature counterparts in London and New York; non-oil derivatives, project finance and cross commodity arbitrage; the thriving Pacific Rim Over the Counter (OTC) markets. (author)

  18. Essays on Derivatives Pricing

    DEFF Research Database (Denmark)

    Kokholm, Thomas

    . With the existence of a liquid market for derivatives with variance as underlying, such as VIX options, VIX futures and a well-developed over-the-counter market for options on variance swaps, it is important to consider models that are able to fit these markets while consistently pricing vanilla options...... financial models, and most importantly, to be aware of their limitations. Following that belief, this thesis consists of three independent and self-contained papers, all dealing with topics in derivatives pricing. The first paper considers the pricing of traffic light options, which are appropriate...... the market for multivariate credit instruments, we take a step back and focus on single-name default modeling and introduce two new model classes for modeling of the default time of a company. Finally, in the third paper we propose a consistent pricing model for index and volatility derivatives...

  19. Gorenstein derived functions

    DEFF Research Database (Denmark)

    Holm, Henrik Granau

    2004-01-01

    Over any associative ring R it is standard to derive HomR(􀀀;􀀀) using projective resolutions in the rst variable, or injective resolutions in the second variable, and doing this, one obtains Extn R(􀀀;􀀀) in both cases. We examine the situation where projective an...

  20. Original and Derived Judgment

    DEFF Research Database (Denmark)

    Foss, Kirsten; Foss, Nicolai Juul; Klein, Peter G.

    2007-01-01

    to subordinates, who exercise derived judgment. We call these employees `proxy-entrepreneurs', and ask how the firm's organizational structure - its formal and informal systems of rewards and punishments, rules for settling disputes and renegotiating agreements, means of evaluating performance and so on - can...

  1. 78 FR 32191 - Derivatives

    Science.gov (United States)

    2013-05-29

    ...] Counterparty exposure management. [cir] Evaluating liquidity risk. Conduct: [cir] Collateral [cir] Accounting... rate risk. This proposed rule applies to federal credit unions and any federally insured, state... derivatives transactions \\1\\ for the purpose of mitigating interest rate risk (IRR). This proposed authority...

  2. Open-path Emission Factors Derived from DOAS and FTIR Measurements in the Mexico City Metropolitan Area

    Science.gov (United States)

    Flores, E.; Grutter, M.; Galle, B.; Mellqvist, J.; Samuelsson, J.; Knighton, B.; Jobson, B. T.; Volkamer, R.; Molina, L. T.; Molina, M. J.

    2004-12-01

    Mobile sources are responsible for about 50% of VOC (volatile organic compounds) and about 70% of NOx emissions in the Mexico City Metropolitan Area (MCMA). A novel approach has been developed to derive emission factors for mobile sources that are representative of the overall vehicle fleet, using collocated open-path Differential Optical Absorption Spectroscopy (DOAS) and Fourier Transform Infrared (FTIR) spectroscopic measurements. Measurements were recorded at two sites within the MCMA: (1) research-grade DOAS and FTIR systems were operated at the Mexican National Research and Training Center (CENICA) in Iztapalapa, (2) a research grade FTIR was operated at La Merced. In addition, point-sampling with a proton transfer reaction mass spectrometer (PTR-MS) was performed on the same location and the calibration standards for the PTR-MS and the DOAS instruments were cross-calibrated. The DOAS measured speciated aromatic hydrocarbons, including benzene, toluene, m-xylene, p-xylene, ethylbenzene (and mono-substituted alkylbenzenes), benzaldehyde, phenol, and p-cresol. The DOAS detection of aromatic hydrocarbons in the UV/vis spectral range between 250 to 310 nm suffers from the interference of molecular oxygen, and a novel approach is being presented that enables measurement of absolute concentrations of the above species. Further, HONO, NO2, SO2 and HCHO were measured at longer wavelengths. In combination with FTIR measurements of CO, CO2, NO, HCHO, ethylene, ethene, and total alkane, average emission factors for NOx, SO2 and numerous hydrocarbons were derived and scaled with fuel sales data to estimate total emissions of the vehicle fleet in the MCMA. The advantages and limitations of this low-cost emission inventory for mobile sources are decsribed.

  3. Studies on derivative fluorimetry

    International Nuclear Information System (INIS)

    Gao Jinzhang; He Jiang; Wang Xiwen; Wang Zheming; Bai Guangbi

    1987-01-01

    A method is described for the derivative spectrofluorimetric determination of trace amounts of Sm, Eu and Tb as their ternary complexes with 2-thenoyltrifluoroacetone and diphenylguanidine. These ternary complexes show excitation bands at 345 nm for Sm and Eu and 350 nm for Tb, and fluorescence bands at 645 nm for Sm, 614 nm for Eu and 545 nm for Tb. A mixture of Sm, Eu and Tb can be determined by second-derivative spectrofluorimetry. The calibration graphs are linear over the range 10-100 p.p.m. for Sm, 0.5-50 p.p.m. for Eu and 100-1000 p.p.m. for Tb. (author)

  4. Insulin-derived amyloidosis

    Directory of Open Access Journals (Sweden)

    Yashdeep Gupta

    2015-01-01

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

  5. Multifunctional Cinnamic Acid Derivatives

    Directory of Open Access Journals (Sweden)

    Aikaterini Peperidou

    2017-07-01

    Full Text Available Our research to discover potential new multitarget agents led to the synthesis of 10 novel derivatives of cinnamic acids and propranolol, atenolol, 1-adamantanol, naphth-1-ol, and (benzylamino ethan-1-ol. The synthesized molecules were evaluated as trypsin, lipoxygenase and lipid peroxidation inhibitors and for their cytotoxicity. Compound 2b derived from phenoxyphenyl cinnamic acid and propranolol showed the highest lipoxygenase (LOX inhibition (IC50 = 6 μΜ and antiproteolytic activity (IC50 = 0.425 μΜ. The conjugate 1a of simple cinnamic acid with propranolol showed the higher antiproteolytic activity (IC50 = 0.315 μΜ and good LOX inhibitory activity (IC50 = 66 μΜ. Compounds 3a and 3b, derived from methoxylated caffeic acid present a promising combination of in vitro inhibitory and antioxidative activities. The S isomer of 2b also presented an interesting multitarget biological profile in vitro. Molecular docking studies point to the fact that the theoretical results for LOX-inhibitor binding are identical to those from preliminary in vitro study.

  6. Computation of Mie derivatives.

    Science.gov (United States)

    Li, Yang; Bowler, Nicola

    2013-07-10

    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.

  7. Synthesis, biological evaluation, QSAR analysis, and molecular docking of chalcone derivatives for antimalarial activity

    Directory of Open Access Journals (Sweden)

    Jufrizal Syahri

    2017-01-01

    Full Text Available Objective: To synthesize chalcone derivatives and investigate their antimalarial activity toward chloroquine-sensitive Plasmodium falciparum 3D7 (Pf3D7 strain; to develop quantitative structureactivity relationships (QSAR model to estimate IC50 values for biological activity of antimalarial and compared to experimental measurement; and to determine the binding interactions of the most active compounds with targeting P. falciparum dihydrofolate reductase-thymidylate synthase using molecular docking simulation. Methods: Seven chalcone derivatives have been synthesized from substituted acetophenone and substituted benzaldehyde in ethanol with the presence of bases catalysis at reflux condition. The QSAR analysis was conducted by using Gaussian 09 software to predict IC50 value for antimalarial activity. The in vitro test was evaluated against the chloroquine-sensitive Pf3D7 strain. Finally, the docking studies were performed with the CDOCKER protocol under the receptor-ligand interaction section in Discovery Studio® 3.1 (Accelrys, Inc., San Diego, USA. Results: Among the synthesized chalcone, a prenylated chalcone 5c and an allylated chalcones 10a showed the best IC 50 values of 1.08 and 1.73 μg/mL respectively against Pf3D7 strain (1.37 and 2.33 μg/mL based on QSAR analysis. Comparison between the prediction of IC50 value generated from the QSAR and the outcome from an in vitro assay showed a similar result as seen from the r2 value (r2 = 0.99. The most active compound 5c was employed in the docking simulation to determine the potential binding interactions with active sites of P. falciparum dihydrofolate reductase-thymidylate synthase (protein data bank ID: 1J3I. The docking simulation study showed 5c bind well with Ala16, Ser108, Ile164, Trp48, and Phe58 which are the crucial interactions that could possibly interrupt the sequential catalysis reactions in the thymidylate cycle and subsequently prevent deoxythymidine monophosphate production

  8. Credit derivatives and risk management

    OpenAIRE

    Michael S. Gibson

    2007-01-01

    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 of its loan portfolio. An investment bank can use credit derivatives to manage the risks it incurs when underwriting securities. An investor, such as an insurance company, asset manager, or hedge fund, can use credit derivatives to align its...

  9. Synthesis and anticonvulsant activity of 5-chloro-2(3H)-benzoxazolinone-3-acetyl-2-(o/p-substituted benzal) hydrazone derivatives.

    Science.gov (United States)

    Gökçe, Mehtap; Geciken, Ahmet Emin; Yildirim, Engin; Tosuni, Ali Ulvi

    2008-01-01

    It is well known that some hydrazone derivatives of both 2-oxobenzoxazoline and 2-oxobenzothiazoline exhibit potent anticonvulsant activity. In order to investigate the effects of structural modifications on the biological properties, 14 new hydrazones of 5-chloro-2(3H)-benzox-azolinone-3-acetyl hydrazide were synthesized. The chemical structures of the synthesized compounds were established by IR, 1H-NMR spectral analyses and elementary analyses. The anticonvulsant activities of the title compounds were tested by the penthylenetetrazole induced seizure test. 5-Chloro-2(3H)-benz-oxazolinone-3-acetyl-2-(o-methoxy-benzaldehyde)-hydrazone 4d, 5-chloro-2(3H)-benzoxazolinone-3-acetyl-2-(o-methybenzaldehyde)-hydrazone 4g, 5-chloro-2(3H)-benzoxazolinone-3-acetyl-2-(p-methylbenzaldehyde)-hydrazone 4h, 5-chloro-2(3H)-benzoxazolino-ne-3-acetyl-2-(p-nitrobenzaldehyde)-hydrazone 4m, and 5-chloro-2(3H)-benzox-azolinone-3-acetyl-2-(p-dimethylaminobenzaldehyde)-hydrazone 4n were found more active than phenytoin (CAS 57-41-0) in the tests.

  10. Synthesis and Anticancer Activity of Some Novel Tetralin-6-yl-pyrazoline, 2-Thioxopyrimidine, 2-Oxopyridine, 2-Thioxo-pyridine and 2-Iminopyridine Derivatives

    Directory of Open Access Journals (Sweden)

    Ebtehal S. Al-Abdullah

    2011-04-01

    Full Text Available The title compounds were prepared by reaction of 6-acetyltetralin (1 with different aromatic aldehydes 2a-c, namely 2,6-dichlorobenzaldehyde, 2,6-diflouro-benzaldehyde, and 3-ethoxy-4-hydroxybenzaldehyde, to yield the corresponding a,b-unsaturated ketones 3a-c. Compound 3b was reacted with hydrazine hydrate to yield the corresponding 2-pyrazoline 4, while compounds 3a,b reacted with thiourea to afford the 2-thioxopyrimidine derivatives 5a,b, respectively. The reaction of 1, and the aromatic aldehydes 2a-c with ethyl cyanoacetate, 2-cyano-thioacetamide or malononitrile in the presence of ammonium acetate yielded the corresponding 2-oxopyridines 6a,b, 2-thioxopyridines 7a-c or 2-iminopyridines 8a,b, respectively. The newly prepared compounds were evaluated for anticancer activity against two human tumor cell lines. Compound 3a showed the highest potency with IC50 = 3.5 and 4.5 μg/mL against a cervix carcinoma cell line (Hela and breast carcinoma cell line (MCF7, respectively.

  11. Mechanisms underlying reductant-induced reactive oxygen species formation by anticancer copper(II) compounds

    OpenAIRE

    Kowol, Christian R.; Heffeter, Petra; Miklos, Walter; Gille, Lars; Trondl, Robert; Cappellacci, Loredana; Berger, Walter; Keppler, Bernhard K.

    2011-01-01

    Intracellular generation of reactive oxygen species (ROS) via thiol-mediated reduction of copper(II) to copper(I) has been assumed as the major mechanism underlying the anticancer activity of copper(II) complexes. The aim of this study was to compare the anticancer potential of copper(II) complexes of Triapine (3-amino-pyridine-2-carboxaldehyde thiosemicarbazone; currently in phase II clinical trials) and its terminally dimethylated derivative with that of 2-formylpyridine thiosemicarbazone a...

  12. Original and Derived Judgment

    DEFF Research Database (Denmark)

    Foss, Kirsten; Foss, Nicolai Juul; Klein, Peter G.

    may delegate a wide range of decision rights to subordinates, who exercise derived judgment. We call these employees "proxy-entrepreneurs," and ask how the firm's or-ganizational structure — its formal and informal systems of rewards and punishments, rules for settling disputes and renegotiating...... agreements, means of evaluating perform-ance, and so on — can be designed to encourage forms of proxy-entrepreneurship that increase firm value while discouraging actions that destroy value. Building on key ideas from the entrepreneurship literature, Austrian economics, and the economic theory of the firm we...

  13. Certain legal aspects of derivatives.

    Science.gov (United States)

    Cloney, T J

    1994-01-01

    This article discusses legal characteristics of derivatives that a not-for-profit health care company may use in a conduit financing in which a governmental issuer issues bonds for the benefit of a health care company. This article also presents the Master Agreement promulgated by the International Swaps and Derivatives Association; discusses how to get out of a derivative; discusses the status of a derivative after insolvency of a counterparty; presents disclosure issues relating to documents prepared in connection with an issue of bonds; and describes the treatment of derivatives under commodities regulations. It concludes with a presentation of possible new regulations applying to derivatives.

  14. In defense of derivations

    Science.gov (United States)

    Mungan, Carl E.

    2016-05-01

    At the 2015 AAPT Summer Meeting, I presented four derivations of the formula for motional emf. Such physics derivations involve the construction of explanatory frameworks involving diagrams and mathematical models. Although textbooks devote considerable space to such explanations, many teachers and students spend their time on worksheets, end-of-chapter problems, and the like. The book is reduced to a bank of solved (i.e., example) and unsolved (i.e., homework) questions, along with equations in colored boxes that presumably are to be used to answer those questions. Such an approach encourages fragmentation of knowledge, the view that there is only one right answer to a problem with the goal of physics being to find that answer (neatly boxed of course), and the inability to reason about even a slightly different (much less a novel) situation. If we are to develop scientific literacy, significant course time must be devoted to explaining the structure of and support for the models and equations we use.

  15. Quinazolin-4-one derivatives

    DEFF Research Database (Denmark)

    Mosley, Cara A; Acker, Timothy M; Hansen, Kasper Bø

    2010-01-01

    We describe a new class of subunit-selective antagonists of N-methyl D-aspartate (NMDA)-selective ionotropic glutamate receptors that contain the (E)-3-phenyl-2-styrylquinazolin-4(3H)-one backbone. The inhibition of recombinant NMDA receptor function induced by these quinazolin-4-one derivatives ...... were identified with 50-fold selectivity for recombinant NR2C/D-containing receptors over NR2A/B containing receptors. These compounds represent a new class of noncompetitive subunit-selective NMDA receptor antagonists.......We describe a new class of subunit-selective antagonists of N-methyl D-aspartate (NMDA)-selective ionotropic glutamate receptors that contain the (E)-3-phenyl-2-styrylquinazolin-4(3H)-one backbone. The inhibition of recombinant NMDA receptor function induced by these quinazolin-4-one derivatives...... is noncompetitive and voltage-independent, suggesting that this family of compounds does not exert action on the agonist binding site of the receptor or block the channel pore. The compounds described here resemble CP-465,022 ((S)-3-(2-chlorophenyl)-2-[2-(6-diethylaminomethyl-pyridin-2-yl)-vinyl]-6-fluoro-3H...

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

    Science.gov (United States)

    Marinellie, Sally A.; Kneile, Lynn A.

    2012-01-01

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

  17. Experts' Understanding of Partial Derivatives Using the Partial Derivative Machine

    Science.gov (United States)

    Roundy, David; Weber, Eric; Dray, Tevian; Bajracharya, Rabindra R.; Dorko, Allison; Smith, Emily M.; Manogue, Corinne A.

    2015-01-01

    Partial derivatives are used in a variety of different ways within physics. Thermodynamics, in particular, uses partial derivatives in ways that students often find especially confusing. We are at the beginning of a study of the teaching of partial derivatives, with a goal of better aligning the teaching of multivariable calculus with the needs of…

  18. Synthesis, antifungal evaluation and in silico study of novel Schiff bases derived from 4-amino-5(3,5-dimethoxy-phenyl-4H-1,2,4-triazol-3-thiol

    Directory of Open Access Journals (Sweden)

    N.S. Hari Narayana Moorthy

    2017-05-01

    Full Text Available A novel series of Schiff bases based on of 4-amino-5-(3,5-dimethoxy-phenyl-4H-1,2,4-triazol-3-thiol scaffold was prepared by heating thiocarbohydrazide and 3,5,-dimethoxy benzoic acid at the temperature above its meting point, and subsequently, treating with substituted benzaldehydes. The chemical constituents in the synthesized compounds were confirmed by IR, Mass, 1H NMR spectroscopy and elemental analysis and the antifungal activity was evaluated against Candida albicans. The structure activity relationship analysis shows that the chloride substituted derivatives possess promising activity in micromolar concentration and also the hydroxy phenyl derivatives exhibited considerable activity at 128 μg/ml. But other compounds with amino, furan and methoxy substitutions did not show antifungal activity till the concentration of 512 μg/ml. In silico pharmacokinetic prediction shows that all the compounds obeyed Lipinski rule of 5 and are free of toxicity and metabolically stable. Pharmacophore analysis revealed that the aromatic/hydrophobic and aromatic/acceptor/donor features in the compounds are essential for the activity. The predicted cardiotoxicity (hERG and lethal effect of the synthesized compounds will permit us to carry out further in vitro and in vivo toxicity studies.

  19. Algae Derived Biofuel

    Energy Technology Data Exchange (ETDEWEB)

    Jahan, Kauser [Rowan Univ., Glassboro, NJ (United States)

    2015-03-31

    One of the most promising fuel alternatives is algae biodiesel. Algae reproduce quickly, produce oils more efficiently than crop plants, and require relatively few nutrients for growth. These nutrients can potentially be derived from inexpensive waste sources such as flue gas and wastewater, providing a mutual benefit of helping to mitigate carbon dioxide waste. Algae can also be grown on land unsuitable for agricultural purposes, eliminating competition with food sources. This project focused on cultivating select algae species under various environmental conditions to optimize oil yield. Membrane studies were also conducted to transfer carbon di-oxide more efficiently. An LCA study was also conducted to investigate the energy intensive steps in algae cultivation.

  20. Metal borohydrides and derivatives

    DEFF Research Database (Denmark)

    Paskevicius, Mark; Haarh Jepsen, Lars; Schouwink, Pascal

    2017-01-01

    review new synthetic strategies along with structural, physical and chemical properties for metal borohydrides, revealing a number of new trends correlating composition, structure, bonding and thermal properties. These new trends provide general knowledge and may contribute to the design and discovery......A wide variety of metal borohydrides, MBH4, have been discovered and characterized during the past decade, revealing an extremely rich chemistry including fascinating structural flexibility and a wide range of compositions and physical properties. Metal borohydrides receive increasing interest...... major classes of metal borohydride derivatives have also been discovered: anion-substituted compounds where the complex borohydride anion, BH4 -, is replaced by another anion, i.e. a halide or amide ion; and metal borohydrides modified with neutral molecules, such as NH3, NH3BH3, N2H4, etc. Here, we...

  1. SEMANTIC DERIVATION OF BORROWINGS

    Directory of Open Access Journals (Sweden)

    Shigapova, F.F.

    2017-09-01

    Full Text Available The author carried out the contrastive analysis of the word спикер borrowed into Russian from English and the English word speaker. The findings of the analysis include confirm (1 different derivational abilities and functions of the borrowed word and the native word; (2 distinctive features in the definitions, i.e. semantic structures, registered in monolingual non-abridged dictionaries; (3 heterogeneous parameters of frequencies recorded in the National Corpus of the Russian language and the British National Corpus; (4 absence of bilingual equivalent collocations with words спикер and speaker. The collocations with words studied revealed new lexical and connotative senses in the meaning of the word. Relevance of the study conducted is justified by the new facts revealed about the semantic adaptation of the borrowed word in the system of the Russian language and its paradigmatic and syntagmatic connections in the system of the recipient language.

  2. 6-Bromocholesterol derivatives

    International Nuclear Information System (INIS)

    Flanagan, R.J.

    1984-01-01

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

  3. Development of credit derivatives trading

    OpenAIRE

    Kunovjánek, Robert

    2015-01-01

    The bachelor thesis is focused on the structure and development of credit derivatives market. The thesis provides a basic summary for insight into credit derivatives market. The first part deals with general specifications of derivatives, their structure, functions and relevant categorization. The main chapter is dedicated to the most frequently used variants of credit derivatives, namely, credit default swap, total return swap and credit-linked note. Predominantly traded credit default swap ...

  4. Synthesis of Glucose Spiropiperazinone Derivatives

    OpenAIRE

    Vasiļjevs, D

    2013-01-01

    Piperazinone derivatives аге noticeable peptidometics; therefore, they сап replace peptides, such as RGD and Leu-enkephalin in different biological processes. Some piperazinone derivatives are anticoagulants, others act like neurotransmitters. Herein, we report an approach for the synthesis of поуеl piperazinone ring containing spiro-derivatives of glucose.

  5. Steric control of the coordination mode of thiosemicarbazone ...

    Indian Academy of Sciences (India)

    Administrator

    ) has been observed in a series of complexes of type [M(PPh3)2(bztsc-R)2] (M = Ru, Os) obtained from the reaction of the ligands with [M(PPh3)2X2] (X = Cl, Br). Assuming the bulk of PPh3 to be responsible for such a coordination mode, ...

  6. 5-Bromo-1H-indole-3-carbaldehyde thiosemicarbazone

    Directory of Open Access Journals (Sweden)

    Seik Weng Ng

    2008-05-01

    Full Text Available In the essentially planar title molecule, C10H9BrN4S, the C=N double bond is in a trans configuration. In the crystal structure, the S atom acts as a hydrogen-bond acceptor for the aromatic NH, aliphatic NH and terminal NH2 groups of three symmetry-related molecules, forming a weak hydrogen-bonded layer structure.

  7. Piroxicam derivatives THz classification

    Science.gov (United States)

    Sterczewski, Lukasz A.; Grzelczak, Michal P.; Nowak, Kacper; Szlachetko, Bogusław; Plinska, Stanislawa; Szczesniak-Siega, Berenika; Malinka, Wieslaw; Plinski, Edward F.

    2016-02-01

    In this paper we report a new approach to linking the terahertz spectral shapes of drug candidates having a similar molecular structure to their chemical and physical parameters. We examined 27 newly-synthesized derivatives of a well-known nonsteroidal anti-inflammatory drug Piroxicam used for treatment of inflammatory arthritis and chemoprevention of colon cancer. The testing was carried out by means of terahertz pulsed spectroscopy (TPS). Using chemometric techniques we evaluated their spectral similarity in the terahertz range and attempted to link the position on the principal component analysis (PCA) score map to the similarity of molecular descriptors. A simplified spectral model preserved 75% and 85.1% of the variance in 2 and 3 dimensions respectively, compared to the input 1137. We have found that in 85% of the investigated samples a similarity of the physical and chemical parameters corresponds to a similarity in the terahertz spectra. The effects of data preprocessing on the generated maps are also discussed. The technique presented can support the choice of the most promising drug candidates for clinical trials in pharmacological research.

  8. Hyperlanguage, derivation and genre

    Directory of Open Access Journals (Sweden)

    Maria Marta Furlanetto

    2012-07-01

    Full Text Available The present paper has as its background a research on the trends of derivation in cultivated Brazilian Portuguese, whose partial results have allowed a reflection on the synthesis-theme: the functioning of a hyperlanguage. A hyperlanguage (notion developed by Sylvain Auroux, serves subjects, spatially and temporally, with certain linguistic capacities, immersed in a world in which there are, among other things, technical artifacts as grammars and dictionaries, which have a descriptive, but also a normative role. The result is a constant dispute between stabilization and destabilization (centripetal and centrifugal forces, in Bakhtin. By also using the play structure/event, according to the discursive semantics by Michel Pêcheux, my goal is to further reflect on the issues raised, approaching the historical-discursive provisionality of the identities in the production of meaning effects. From the practical standpoint, I point to the emergence of heterogeneous genres, as those which exploit humor, with indefinite authorship, and I propose the discursive reading of a sample.

  9. Oxidation of styrene to benzaldehyde/benzoic acid

    Indian Academy of Sciences (India)

    spectroscopy and powder X-ray crystallography. Keywords. Heptamolybdate type polyoxometalate cluster anion; transition metal coordination complexes; oxidation of styrene; hydrogen peroxide as an oxidant; catalysis. 1. Introduction. Over the last ...

  10. Heterocyclyl linked anilines and benzaldehydes as precursors for ...

    Indian Academy of Sciences (India)

    ... alkylthio/alkoxy phenylpropanoic acids, beta-keto esters and tyrosine-based compounds possess broad therapeutic potential in general and as Peroxisome Proliferator Activated Receptors (PPARs) agonists in particular in the management of hyperglycemia and hyperlipidaemia for the treatment of Type 2 Diabetes (T2D).

  11. Derivative spectrophotometry of cobalt alloys

    International Nuclear Information System (INIS)

    Spitsyn, P.K.

    1985-01-01

    The method of derivative spectrophotometry is briefly described, and derivative absorption spectra are presented for samarium, cobalt, and commercial Sm-Co alloys. It is shown that the use of derivative spectrophotometry not only improves the accuracy and selectivity of element determinations but also simplifies the analysis of alloys. Results of a statistical evaluation of the metrological characteristics of the analytical procedure described here are presented. 8 references

  12. Push-outs of derivations

    Indian Academy of Sciences (India)

    B containing A as an ideal, thereby exploiting (or establishing) hereditary properties. This is usually done using ... space X [Bl, G2], it is exploited that derivations can be extended to the Banach alge- bra B(X) of all ... A derivation is inner if it is of the form a ↦→ a.x − x.a for some x ∈ X. The vector space of all derivations D: A ...

  13. [Urine derivation after radical cystectomy].

    Science.gov (United States)

    Jarabák, J; Zachoval, R; Vik, V

    2014-01-01

    Radical cystectomy, performed both for the treatment of cancer and other conditions, needs to be followed by ensuring the derivation of urine. The aim of this work is to summarize the possibilities of urine derivation after cystectomy, their advantages, disadvantages and long-term results. A review article summarising relevant literature and the team of authors own experience. This work compares advantages and risks of different types of urine derivation following radical cystectomy.

  14. derivatives: Synthesis and antimicrobial evaluation

    Indian Academy of Sciences (India)

    traced to or were inspired by natural products.1 These include natural products, natural product derivatives, synthetic compounds with natural product derived phar- macophores and synthetic compounds designed on the basis of knowledge gained from a natural product.2. Similarly, isocoumarins are an important class of.

  15. Tame-wild dichotomy for derived categories

    OpenAIRE

    Bekkert, Viktor I.; Drozd, Yuriy A.

    2003-01-01

    We prove that every finite dimensional algebra over an algebraically closed field is either derived tame or derived wild. The proof is based on the technique of matrix problems (boxes and reduction algorithm). It implies, in particular, that any degeneration of a derived wild algebra is derived wild; respectively, any deformation of a derived tame algebra is derived tame.

  16. Jordan-H\\"older theorems for derived categories of derived discrete algebras

    OpenAIRE

    Qin, Yongyun

    2015-01-01

    For any positive integer $n$, $n$-derived-simple derived discrete algebras are classified up to derived equivalence. Furthermore, the Jordan-H\\"older theorems for all kinds of derived categories of derived discrete algebras are obtained.

  17. Caffeine Catalyzed Synthesis of Tetrahydrobenzo[b]pyran Derivatives: Synthesis and Insight into Kinetics and Mechanism.

    Science.gov (United States)

    Habibi-Khorassani, Sayyed Mostafa; Shahraki, Mehdi; Mollashahi, Ebrahim; Pourpanah, Sayyedeh Shadfar; Majdabadi, Shabnam Keshavarz

    2016-01-01

    Tetrahydrobenzo[b]pyran derivatives are considered as a special class in drug research because of their various biological and pharmacological benefiting usages. In the current work, we developed new synthetic methods for the preperation of tetrahydrobenzo[b]pyran derivatives using arylaldehydes 1, malononitrile 2 and dimedonein 3 in the presence of caffeine as catalyst as a cheap, easily accessible, biodegradable and green catalyst. Moreover, for the first time, we have described kinetic results together along with detailed mechanistic studies of the synthetic reaction of a derivative of 4Htetrahydrobenzo[ b]pyran based on a global kinetic analysis methodology using UVvis spectrophotometry apparatus. Products were characterized by comparison of physical data with authentic samples and spectroscopic data (IR and NMR). Infrared (IR) spectra were recorded on a JASCO FT IR 460 plus spectrometer. 1H nuclear magnetic resonance (NMR) spectra were obtained with a Bruker DRX 400 Advance spectrometer and using deuterated dimethylsulfoxide (DMSO) and acetone as solvents. Thin layer chromatography (TLC) was performed on Silica-gel polygram SILG/UV 254 plates. Rate constants are presented as an average of several kinetic runs (at least 6-10) and are reproducible within ± 3%. The overall rate of reaction is followed by monitoring the absorbance changes of the products versus time on a Varian (Model Cary Bio-300) UV-vis spectrophotometer with a 10 mm light-path cell. For optimization, the reaction of benzaldehyde (1 mmol), malonitrile (1 mmol) and dimedone (1 mmol) was investigated. The desired results were obtained at 70 °C in the presence of (20 mol %) caffeine in H2O: EtOH (2:1). Moreover, the overall order of reaction for the formation of a 4Htetrahydrobenzo[ b]pyran derivative in the presence of caffeine followed second-order kinetics and the partial orders with regard to 4-nitrobenzaldehyde 1, malononitrile 2 and dimedone 3 were one, one and zero, respectively. It was

  18. Therapeutic Versatility of Resveratrol Derivatives.

    Science.gov (United States)

    Nawaz, Waqas; Zhou, Zhongqin; Deng, Sa; Ma, Xiaodong; Ma, Xiaochi; Li, Chuangang; Shu, Xiaohong

    2017-10-29

    Resveratrol, a natural phytoalexin, exhibits a remarkable range of biological activities, such as anticancer, cardioprotective, neuroprotective and antioxidant properties. However, the therapeutic application of resveratrol was encumbered for its low bioavailability. Therefore, many researchers focused on designing and synthesizing the derivatives of resveratrol to enhance the bioavailability and the pharmacological activity of resveratrol. During the past decades, a large number of natural and synthetic resveratrol derivatives were extensively studied, and the methoxylated, hydroxylated and halogenated derivatives of resveratrol received particular more attention for their beneficial bioactivity. So, in this review, we will summarize the chemical structure and the therapeutic versatility of resveratrol derivatives, and thus provide the related structure activity relationship reference for their practical applications.

  19. Deriving belief operators from preferences

    OpenAIRE

    Asheim, Geir B.

    2000-01-01

    A belief operator derived from preferences is presented. It generalizes ‘belief with probability1’ to incomplete preferences and satisfies minimal requirements for belief operators under weak conditions.

  20. Elementary derivation of Kepler's laws

    International Nuclear Information System (INIS)

    Vogt, E.

    1995-02-01

    A simple derivation of all three so-called Kepler Laws is presented in which the orbits, bound and unbound, follow directly and immediately from conservation of energy and angular momentum. The intent is to make this crowning achievement of Newtonian Mechanics easily accessible to students in introductory physics courses. The method is also extended to simplify the derivation of the Rutherford Scattering Law. (author). 4 refs., 3 figs

  1. Derivatives Trading and Negative Voting

    OpenAIRE

    Spamann, Holger

    2012-01-01

    This paper exposits a model of parallel trading of corporate securities (shares, bonds) and derivatives in which a large trader can sometimes profitably acquire securities with their corporate control rights for the sole purpose of reducing the corporations value and gaining on a net short position created through off-setting derivatives. At other times, the large trader profitably takes a net long position. The large trader requires no private information beyond its own trades. The problem i...

  2. Push-outs of derivations

    Indian Academy of Sciences (India)

    extension as a limit of operators b ↦→ D(ba) − b.D(a), a ∈ A in an appropriate operator topology, the main point in the proof being to show that the limit map is in fact a derivation. In this paper we make clear which part of this approach is analytic and which algebraic by presenting an algebraic scheme that gives derivations ...

  3. Synthesis of new chalcone derivatives and their antimicrobial studies

    Science.gov (United States)

    Noorulhaq, Syed Shah Najib; Baseer, Mohammad Abdul

    2017-11-01

    Chalcones are the significant constituent of natural sources. Chalcones posses 1,3-diaryl-1-ones frame which withdraws the recognition of biological importance. Chalcones are not possible to separate from plants because it is transformed into flavonones due to the presence of enzyme chalcone synthetase. Chalcones are prepared by the Claisen-Schimdt condensation of equimolar ratios of aldehyde and ketone in presence of base. With this vision we accounted here the synthesis of some novel chalcones via Clasien-Schimdt condensation of substituted ketones containing hydroxy, chloro, fluoro groups and 4-(4-Methyl-piperazin-1-yl)-benzaldehyde in presence of alkali at room temperature. These recently synthesized γ, β unsaturated compounds that is chalcones were screened for their antimicrobial studies which show modest to good activity.

  4. Synthesis and in vitro Evaluation of New Benzothiazole Derivatives as Schistosomicidal Agents

    Directory of Open Access Journals (Sweden)

    Mona A Mahran

    2007-03-01

    Full Text Available A series of benzothiazol-2-yl-dithiocarbamates 3a-d along with their copper complexes 4a-c were synthesized via the reaction of suitable alkyl, aralkyl or heteroaryl halides with the sodium salt of benzothiazol-2-yl-dithiocarbamic acid, followed by complexation with copper sulphate. N-(4-Acetyl-5-aryl-4,5-dihydro-1,3,4-thiadiazol-2-yl-N-benzothiazol-2-yl-acetamides 7a-c were synthesized by cyclization of the appropriate thiosemicarbazones 6a-c in acetic anhydride. Selected compounds were screened for in vitro schistosomicidal activity against Schistosoma mansoni at three different dosage levels (10, 50 and 100 μg/ mL. Three of these products, 4a-c, showed schistosomicidal activity similar to praziquantel, with 100% worm mortality at 10 μg/mL. These compounds would constitute a new class of potent schistosomicidal agents.

  5. Electricity derivatives and risk management

    Energy Technology Data Exchange (ETDEWEB)

    Deng, S.J. [School of Industrial and Systems Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0205 (United States); Oren, S.S. [Department of Industrial Engineering and Operations Research, University of California, Berkeley, CA 94720 (United States)

    2006-05-15

    Electricity spot prices in the emerging power markets are volatile, a consequence of the unique physical attributes of electricity production and distribution. Uncontrolled exposure to market price risks can lead to devastating consequences for market participants in the restructured electricity industry. Lessons learned from the financial markets suggest that financial derivatives, when well understood and properly utilized, are beneficial to the sharing and controlling of undesired risks through properly structured hedging strategies. We review different types of electricity financial instruments and the general methodology for utilizing and pricing such instruments. In particular, we highlight the roles of these electricity derivatives in mitigating market risks and structuring hedging strategies for generators, load serving entities, and power marketers in various risk management applications. Finally, we conclude by pointing out the existing challenges in current electricity markets for increasing the breadth, liquidity and use of electricity derivatives for achieving economic efficiency. (author)

  6. Sol-gel derived sorbents

    Science.gov (United States)

    Sigman, Michael E.; Dindal, Amy B.

    2003-11-11

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

  7. Relieving of Misconceptions of Derivative Concept with Derive

    Science.gov (United States)

    Kaplan, Abdullah; Ozturk, Mesut; Ocal, Mehmet Fatih

    2015-01-01

    The purpose of this study is to determine students' learning levels in derivative subjects and their misconceptions. In addition, this study aims to compared to the effects of the computer based instruction and traditional instruction in resolving these misconceptions. For this purpose, 12th grade 70 students were chosen from high schools in Agri…

  8. Synthesis of 2-phosphaadamantane derivatives

    International Nuclear Information System (INIS)

    Zemlyanoi, V.N.; Aleksandrov, A.M.; Kukhar', V.P.

    1986-01-01

    The authors describe the synthesis and properties of 2-phosphadamantane derivatives. For the synthesis of 2-phosphaadamantane derivatives they decided to use the methodology of the synthesis of 2-thiaadamantane. The IR spectra were determined on CHCl 3 solutions with a Specord 711R spectrometer, the PMR spectra were determined on Tesla BS-467 (60 MHz) and Bruker WP-200 (200 MHz) spectrometers, external standard hexamethyldisiloxane, the 31 P NMR spectra were determined on Tesla BS-487 C (30 MHz) and Bruker WP-200 (81 MHz) spectrometers, external standard 85% phosphoric acid, and the mass spectra were determined on an MS-1302 spectrometer

  9. Derived equivalences for group rings

    CERN Document Server

    König, Steffen

    1998-01-01

    A self-contained introduction is given to J. Rickard's Morita theory for derived module categories and its recent applications in representation theory of finite groups. In particular, Broué's conjecture is discussed, giving a structural explanation for relations between the p-modular character table of a finite group and that of its "p-local structure". The book is addressed to researchers or graduate students and can serve as material for a seminar. It surveys the current state of the field, and it also provides a "user's guide" to derived equivalences and tilting complexes. Results and proofs are presented in the generality needed for group theoretic applications.

  10. Risk Factors in Derivatives Markets

    Directory of Open Access Journals (Sweden)

    Raimonda Martinkutė-Kaulienė

    2015-02-01

    Full Text Available The objective of the article is to analyse and present the classification of risks actual to derivative securities. The analysis is based on classical and modern literature findings and analysis of newest statistical data. The analysis led to the conclusion, that the main risks typical for derivatives contracts and their traders are market risk, liquidity risk, credit and counterparty risk, legal risk and transactions risk. Pricing risk and systemic risk is also quite important. The analysis showed that market risk is the most important kind of risk that in many situations influences the level of remaining risks.

  11. Radiolabeled derivatives of folic acid

    International Nuclear Information System (INIS)

    1980-01-01

    Derivatives of folic acid are described, in which the α-carboxyl group is substituted with an amino compound having an aromatic or heterocyclic ring substituent which is capable of being radiolabelled. Particularly mentioned as a radiolabel is 125 I. (author)

  12. Antileishmanial activity of polycyclic derivatives

    Directory of Open Access Journals (Sweden)

    Sarciron M.E.

    2005-09-01

    Full Text Available 33 polycyclic derivatives have been studied and tested on Leishmania donovani and L. major promastigotes. Their antileishmanial activity was assessed in vitro and an assay of their cytotoxicity was realized on human myelomonocytic cell line. The reference molecules used in the assays were amphotericin B and pentamidine. Among the compounds tested, 29 possess an antileishmanial activity; 25 of those were more active against L. donovani than amphotericin B, and nine were as effective as amphotericin B against L. major. Many synthesized derivatives were more active against L.donovani than against L. major. The cytotoxicity studies have shown that among the thirty-three derivatives tested, 12 molecules have an IC50 towards THP-1 cells about equal than that reference drugs, the 21 other derivatives are much less toxic. A 3D QSAR study was undertaken and has permitted to predict activity against L. donovani and L. major and to highlight critical area to optimize activity against the two species.

  13. Bounded Densities and Their Derivatives

    DEFF Research Database (Denmark)

    Kozine, Igor; Krymsky, V.

    2009-01-01

    This paper describes how one can compute interval-valued statistical measures given limited information about the underlying distribution. The particular focus is on a bounded derivative of a probability density function and its combination with other available statistical evidence for computing ...

  14. Derivation of Schwinger variational principles

    International Nuclear Information System (INIS)

    Szmytkowski, R.

    2003-01-01

    We present systematic derivations of bilinear and fractional Schwinger variational principles for matrix elements of a generalized transition operator in the context of quantum mechanical potential scattering. The employed method is based on a generalization of the method of Lagrange multipliers

  15. First derivative potentiometric and spectrophotometric ...

    African Journals Online (AJOL)

    This study sets out to provide simple, inexpensive and sensitive analytical techniques for the assay of cimetidine in tablet dosage forms using first derivative potentiometric and UV-spectrophotometric techniques, with a view to providing simple, sensitive and cost-effective analytical methods. Ten brands of cimetidine tablets ...

  16. Alchemical derivatives of reaction energetics

    Science.gov (United States)

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

    2010-08-01

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

  17. Radiological protection optimization using derivatives

    International Nuclear Information System (INIS)

    Freitas Acosta Perez, C. de; Sordi, G.M.A.A.

    2006-01-01

    The aim of this paper is to provide a different approach related to the integral cost-benefit and extended cost-benefit analysis used in the decision-aiding techniques. In the ICRP publication 55 the annual protection cost is envisaged as a set of points, each of them representing an option, linked by a straight line. The detriment cost function is considered a linear function whose angular coefficient is determined by the alpha value. In this paper the uranium mine example considered in the ICRP publication 55 was used. But the potential curve was introduced both in the integral cost benefit analysis and in the extended cost-benefit analysis, which the individual dose distribution attribute is added. The result was obtained using derivatives. The detriment cost, Y, is not necessary because the alpha value is known. The Y derivative dS/dY is the alpha value itself and so, the attention is directed to the derivative -dX/dS on the points that, along with the alpha value, present the optimum option. The results makes clear that the prevailing factor in the optimum option selection is the alpha value imputed, and those a single alpha value, as suggested now, probably as little efficiency on the optimization process. Obtaining a curve for the alpha value and using the derivative technique introduced in this paper, the analytical solution is more convenient and reliable compared to the one used now. (authors)

  18. Novel bisstyryl derivatives of bakuchiol

    DEFF Research Database (Denmark)

    Reddy, Mallepally V; Thota, Niranjan; Sangwan, Payare L

    2010-01-01

    Novel bisstyryl derivatives of bakuchiol using Heck coupling reaction as the key step were synthesized and screened against a panel of six oral cavity pathogens for their antimicrobial activity. Four compounds (9-12) showed two to fourfold and four to eightfold better activity (MIC 0.25-16 microg...

  19. Second derivative spectrophotometric determination of ...

    African Journals Online (AJOL)

    A new, simple, rapid, wide applicable range and reliable second derivative spectrophotometric method has been developed for determination of cyclophosphamide (CP) in bulk and pharmaceutical dosage forms. Calibration graph is linear in the concentration range of 25 - 200 μg/ml of CP with 10 μg/ml of detection limit and ...

  20. Therapeutic Versatility of Resveratrol Derivatives

    OpenAIRE

    Waqas Nawaz; Zhongqin Zhou; Sa Deng; Xiaodong Ma; Xiaochi Ma; Chuangang Li; Xiaohong Shu

    2017-01-01

    Resveratrol, a natural phytoalexin, exhibits a remarkable range of biological activities, such as anticancer, cardioprotective, neuroprotective and antioxidant properties. However, the therapeutic application of resveratrol was encumbered for its low bioavailability. Therefore, many researchers focused on designing and synthesizing the derivatives of resveratrol to enhance the bioavailability and the pharmacological activity of resveratrol. During the past decades, a large number of natural a...

  1. Second derivative spectrophotometric determination of ...

    African Journals Online (AJOL)

    Hemn

    2013-11-13

    Nov 13, 2013 ... olanzapine in pharmaceutical formulation.Int.J.ChemTech. Res.2(1):756-761. Stanisz B, Paszun S, Lesniak M (2009). Validation of UV derivative spectrophotometric method for determination of benazepril hydrochloride in tablets and evaluation of its stability.ActaPoloniaePharmaceutica-Drug Research.

  2. Higher-derivative generalization of conformal mechanics

    Science.gov (United States)

    Baranovsky, Oleg

    2017-08-01

    Higher-derivative analogs of multidimensional conformal particle and many-body conformal mechanics are constructed. Their Newton-Hooke counterparts are derived by applying appropriate coordinate transformations.

  3. Derivatives in energy project finance

    International Nuclear Information System (INIS)

    Spencer, Lloyd

    1999-01-01

    This chapter focuses on risk management of merchant power generation projects and describes project finance as balancing risk and reward over time. The historical background to risk management is traced, and the case for derivatives in energy project finance is put forward with the hedging of forward output, and forwards and power purchase agreements discussed. Current and prospective usage, and the implementation issues of market liquidity, margin calls, letters of credit, derivative counterparty credit risk, and accounting policy are considered. A detailed example of a gas-fired plant in the US is presented with details given of the distribution of project earnings before tax. Oil field operating cashflows are examined, with reserved flow models, leverage effects, and price hedging addressed

  4. Position Estimation Using Image Derivative

    Science.gov (United States)

    Mortari, Daniele; deDilectis, Francesco; Zanetti, Renato

    2015-01-01

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

  5. Novel aminonaphthoquinone mannich bases derived from lawsone and their copper(II) complexes: synthesis, characterization and antibacterial activity

    Energy Technology Data Exchange (ETDEWEB)

    Neves, Amanda P.; Barbosa, Claudia C.; Greco, Sandro J.; Vargas, Maria D. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Inst. de Quimica; Visentin, Lorenzo C. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Quimica; Pinheiro, Carlos B. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Fisica; Mangrich, Antonio S. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Centro Politecnico. Dept. de Quimica; Barbosa, Jussara P.; Costa, Gisela L. da [Instituto Oswaldo Cruz, Rio de Janeiro, RJ (Brazil)

    2009-07-01

    A series of novel Mannich bases (HL1-HL13) derived from 2-hydroxy-1,4-naphthoquinone (lawsone), substituted benzaldehydes [C{sub 6}H{sub 2}R{sup 1}R{sup 2}R{sup 3}C(O)H] and various primary amines (NH{sub 2}R{sup 4}, R{sup 4} = n-butyl, benzyl, allyl, 2-furfuryl), and their Cu{sup 2+} complexes, [Cu(L1){sub 2}]-[Cu(L13){sub 2}], have been synthesized and fully characterized by analytical and spectroscopic methods. The structures of complexes 1 (R{sup 1} R{sup 2} = R{sup 3} = H; R{sup 4} = Bu), 2 (R{sup 1} = R{sup 3} = H; R{sup 2} = NO{sub 2}; R{sup 4}= Bu) and 7 (R{sup 1} OH; R{sup 2} = R{sup 3} = H; R{sup 4}= Bu) were determined by single crystal X-ray diffraction studies. All complexes crystallize in centrosymmetric space groups, with a copper atom in the inversion centre. Two L. coordinate through the naphthalen-2-olate oxygen and secondary amine-N atoms, forming six membered chelate rings around the copper atom in a trans-N{sub 2}O{sub 2} environment; spectroscopic data confirm that the other complexes exhibit similar molecular arrangement. The antimicrobial activity of all compounds has been tested on seven different strains of bacteria: Bacillus cereus, Bacillus subtilis, Escherichia coli, Enterococcus faecalis, Klebsiella pneumoniae, Pseudomonas aeruginosa and Staphylococcus aureus. In general, Mannich bases were more active than complexes, HL11 (R{sup 1} = OH; R{sup 2} =H; R{sup 3} = Me; R{sup 4}= Bn) and HL13 (R{sup 1} = OH; R{sup 2} = H; R{sup 3} = Br; R{sup 4}= Bn) being the most potent inhibitors. The MIC for the most active compound HL11 against S. Coli was 20 {mu}mol L{sup -1} (8 {mu}g mL{sup -1}), better than Chloramphenicol (90 {mu}mol L{sup -1}) and well below most values reported for other naphthoquinones. (author)

  6. Financial Derivatives (Based on Two Supports Evaluation

    Directory of Open Access Journals (Sweden)

    Tiberiu Socaciu

    2016-07-01

    Full Text Available In this paper we build a PDE like Black-Scholes equation in hypothesis of a financial derivative that is dependent on two supports (usual is dependent only on one support, like amoption based on gold, when national currency has a great float.Keywords: Financial derivatives, derivatives evaluation, derivatives based on two supports, extended Itō like lemma.

  7. Derived equivalences induced by good silting complexes

    OpenAIRE

    Breaz, Simion; Modoi, George Ciprian

    2017-01-01

    Consider a (possibly big) silting object $U$ in a derived category over a (dg-)algebra $A$. Under some fairly general appropriate hypotheses, we show that it induces derived equivalences between the derived category over $A$ and a localization of the derived category of dg-endomorphism algebra $B$ of $U$. If, in addition, $U$ is small then this localization is the whole derived category over $B$.

  8. Deformable fractional derivative and its applications

    Science.gov (United States)

    Ahuja, Priyanka; Zulfeqarr, Fahed; Ujlayan, Amit

    2017-10-01

    In this paper, we introduce an application of recently proposed deformable derivative which is equivalent to ordinary derivative in the sense that one implies other. The deformable derivative is defined using limit approach as ordinary derivative. Thus it could also be regarded as fractional derivative. The simple nature of this definition allows us for the extension of some classical theorems in calculus like the Rolles, Mean Value and Extended Mean Value theorems. As a theoritical application some fractional differentiable equations are solved.

  9. Development trends of the international derivatives market

    OpenAIRE

    Motorniuk, U.; Terebukh, M.; Kharchuk, V.

    2016-01-01

    The factors forming international derivatives market trends are researched in this article. The history of the formation of the global derivatives market was analyzed, in particular, events which have led to the growth of the derivatives market. Global derivatives market has revealed major changes in its trends and witnessed the gradual transformation of its structure, observed in recent years. Global derivatives market has revealed major changes in its trends and witnessed the gradual transf...

  10. Untitled

    Indian Academy of Sciences (India)

    yield of 43% p-tolylhydrazine, based on chloramine. The benzaldehyde derivative was prepared by refluxing the neutralized reaction mixture (using HCl) and benzaldehyde for 24 hrs, and subsequently cooling it in ice and salt mixture. When a methanolic solution (300 ml) containing 10.5 ml (126 mmol) of pyrrolidine.

  11. Iron and iron derived radicals

    International Nuclear Information System (INIS)

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

    1987-04-01

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

  12. Stable Hemiaminals: 2-Aminopyrimidine Derivatives

    Directory of Open Access Journals (Sweden)

    Anna Kwiecień

    2015-08-01

    Full Text Available Stable hemiaminals can be obtained in the one-pot reaction between 2-aminopyrimidine and nitrobenzaldehyde derivatives. Ten new hemiaminals have been obtained, six of them in crystal state. The molecular stability of these intermediates results from the presence of both electron-withdrawing nitro groups as substituents on the phenyl ring and pyrimidine ring, so no further stabilisation by intramolecular interaction is required. Hemiaminal molecules possess a tetrahedral carbon atom constituting a stereogenic centre. As the result of crystallisation in centrosymmetric space groups both enantiomers are present in the crystal structure.

  13. Resorcinol derivatives from Ardisia maculosa.

    Science.gov (United States)

    Zheng, Ying; Wu, Feng-E

    2007-01-01

    Besides a series of known sterols and triterpenoids, a new resorcinol (1) and a known resorcinol (2) have been isolated from ethanol extract of Ardisia maculosa for the first time. The structures of these resorcinol derivatives were elucidated as 2-methyl-5-(Z-heptadec-8-enyl) resorcinol and 5-Z-heptadec-8-enyl) resorcinol by HRESI-MS, NMR ((1)H, (13)C, HSQC, HMBC) experiments. In our in vitro assay, compounds 1 and 2 showed no antimicrobial activities, however, compound 2 exhibited cytotoxity activity against human cancer cell line with GI(50) value of 2.14 x 10(- 4) mmol/ml.

  14. Radioiodination of C60 derivative

    International Nuclear Information System (INIS)

    Li Yuguo; Zhang Xiaodong; Li Qingnuan; Li Wenxin

    2001-01-01

    The water-soluble C 60 derivative was iodo-labelled radioactively with Iodogen method. The labelled yield was measured by Silica GF254 TLC. The effects of pH value, time, temperature and the amount of Iodogen on the labelled yield were studied. 125 I-C 60 (OH) x O y was purified by Sephadex G-25 column chromatography and then the stability of 125 I-C 60 (OH) x O y was examined. The results showed that the radiochemical purity of 125 I-C 60 (OH) x O y solution with 2% benzylalcohol remained 82.7% after 43h

  15. Adipose-Derived Stem Cells

    DEFF Research Database (Denmark)

    Toyserkani, Navid Mohamadpour; Quaade, Marlene Louise; Sheikh, Søren Paludan

    2015-01-01

    Emerging evidence has shown that adipose tissue is the richest and most accessible source of mesenchymal stem cells. Many different therapies for chronic wounds exist with varying success rates. The capacity of adipose-derived stem cells (ASCs) to promote angiogenesis, secrete growth factors......, regulate the inflammatory process, and differentiate into multiple cell types makes them a potential ideal therapy for chronic wounds. The aim of this article was to review all preclinical trials using ASCs in problem wound models. A systematic search was performed and 12 studies were found where different...

  16. Derivative Kernels: Numerics and Applications.

    Science.gov (United States)

    Hosseini, Mahdi S; Plataniotis, Konstantinos N

    2017-10-01

    A generalized framework for numerical differentiation (ND) is proposed for constructing a finite impulse response (FIR) filter in closed form. The framework regulates the frequency response of ND filters for arbitrary derivative-order and cutoff frequency selected parameters relying on interpolating power polynomials and maximally flat design techniques. Compared with the state-of-the-art solutions, such as Gaussian kernels, the proposed ND filter is sharply localized in the Fourier domain with ripple-free artifacts. Here, we construct 2D MaxFlat kernels for image directional differentiation to calculate image differentials for arbitrary derivative order, cutoff level and steering angle. The resulted kernel library renders a new solution capable of delivering discrete approximation of gradients, Hessian, and higher-order tensors in numerous applications. We tested the utility of this library on three different imaging applications with main focus on the unsharp masking. The reported results highlight the high efficiency of the 2D MaxFlat kernel and its versatility with respect to robustness and parameter control accuracy.

  17. Penetratin and derivatives acting as antifungal agents

    NARCIS (Netherlands)

    Masman, Marcelo F.; Rodriguez, Ana M.; Raimondi, Marcela; Zacchino, Susana A.; Luiten, Paul G. M.; Somlai, Csaba; Kortvelyesi, Tamas; Penke, Botond; Enriz, Ricardo D.

    The synthesis, in vitro evaluation, and conformational study of RQIKTWFQNRRMKWKK-NH(2) (penetratin) and related derivatives acting as antifungal agents are reported. Penetratin and some of its derivatives displayed antifungal activity against the human opportunistic pathogenic standardized ATCC

  18. Derivative Sign Patterns in Two Dimensions

    Science.gov (United States)

    Schilling, Kenneth

    2013-01-01

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

  19. fq-Derivations of G-Algebra

    Directory of Open Access Journals (Sweden)

    Deena Al-Kadi

    2016-01-01

    Full Text Available We introduce the notion of fq-derivation as a new derivation of G-algebra. For an endomorphism map f of any G-algebra X, we show that at least one fq-derivation of X exists. Moreover, for such a map, we show that a self-map dqf of X is fq-derivation of X if X is an associative medial G-algebra. For a medial G-algebra X, dqf is fq-derivation of X if dqf is an outside fq-derivation of X. Finally, we show that if f is the identity endomorphism of X then the composition of two fq-derivations of X is a fq-derivation. Moreover, we give a condition to get a commutative composition.

  20. Surprising Results Using Calculators for Derivatives.

    Science.gov (United States)

    Goetz, Albert; Kahan, Jeremy

    1995-01-01

    Attempts to answer and generalize the question: When is the numerical derivative obtained on the graphing calculator greater than the actual derivative, and when is it smaller? Discusses symmetric difference. (MKR)

  1. Silsesquioxane-derived ceramic fibres

    Science.gov (United States)

    Hurwitz, F. I.; Farmer, S. C.; Terepka, F. M.; Leonhardt, T. A.

    1991-01-01

    Fibers formed from blends of silsesquioxane polymers were characterized to study the pyrolytic conversion of these precursors to ceramics. The morphology of fibers pyrolyzed to 1400 C revealed primarily amorphous glasses whose conversion to beta-SiC is a function of both blend composition and pyrolysis conditions. Formation of beta-SiC crystallites within the glassy phase is favored by higher than stoichiometric C/Si ratios, while carbothermal reduction of Si-O bonds to form SiC with loss of SiO and CO occurs at higher methyl/phenylpropyl silsesquioxane (lower C/Si) ratios. As the carbothermal reduction is assumed to be diffusion controlled, the fibers can serve as model systems to gain understanding of the silsesquioxane pyrolysis behavior, and therefore are useful in the development of polysilsesquioxane-derived ceramic matrices and coatings as well.

  2. Cytotoxicity study of pyrazole derivatives

    Directory of Open Access Journals (Sweden)

    Nusrat Binta Ahasan

    2007-06-01

    Full Text Available Pyrazolone heterocyclic compound, 3-methyl-1-phenyl-2-pyrazoline-5-one 2(a was synthesized by condensation reaction between ethyl acetoacetate and phenyl hydrazine and was converted into their corresponding heterocyclic derivatives 2(b to 2(f2 . Their cytotoxicity effects were measured by brine shrimp lethality bioassay. Among them the compounds 2(b , 2(f1 , and 2(f2 were highly active according to IC50 values 19.50, 19.50 and 20 ppm respectively. The rest of compounds 2(a , 2(c , 2(d1 , and 2(d2 having IC50 values 38, 33.50, 37.50, 36, 37.50 and 36 ppm in that order, were moderately active.

  3. Cytotoxicity study of pyrazole derivatives

    Directory of Open Access Journals (Sweden)

    Nusrat Binta Ahasan and Md. Rabiul Islam

    2007-12-01

    Full Text Available Pyrazolone heterocyclic compound, 3-methyl-1-phenyl-2-pyrazoline-5-one 2(a was synthesized by condensation reaction between ethyl acetoacetate and phenyl hydrazine and was converted into their corresponding heterocyclic derivatives 2(b to 2(f2. Their cytotoxicity effects were measured by brine shrimp lethality bioassay. Among them the compounds 2(b, 2(f1, and 2(f2 were highly active according to IC50 values 19.50, 19.50 and 20 ppm respectively. The rest of compounds 2(a, 2(c, 2(d1, and 2(d2 having IC50 values 38, 33.50, 37.50, 36, 37.50 and 36 ppm in that order, were moderately active.

  4. Iron and iron derived radicals

    Energy Technology Data Exchange (ETDEWEB)

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

    1987-04-01

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

  5. Derived limits for surface contamination

    CERN Document Server

    Wrixon, A D; Linsley, G S; White, D F

    1979-01-01

    Derived limits (DLs) for surface contamination were first established for use in the nuclear energy industry where a wide variety of radionuclides is encountered. They were later used in factories, hospitals, and universities, where the radionuclides used are normally fewer in number, either known or readily identifiable, and often of low toxicity. In these situations the current limits are frequently over-restrictive. This report describes a reassessment of the values in the light of more recent information on the possible pathways of exposure and the dose equivalent limits given in ICRP Publication 26. The reassessment is prompted also by the introduction of SI units. The results of the reassessment are used to produce a classification of DLs for all radionuclides for active and inactive area surfaces and for skin.

  6. Polymer-Derived Ceramic Fibers

    Science.gov (United States)

    Ichikawa, Hiroshi

    2016-07-01

    SiC-based ceramic fibers are derived from polycarbosilane or polymetallocarbosilane precursors and are classified into three groups according to their chemical composition, oxygen content, and C/Si atomic ratio. The first-generation fibers are Si-C-O (Nicalon) fibers and Si-Ti-C-O (Tyranno Lox M) fibers. Both fibers contain more than 10-wt% oxygen owing to oxidation during curing and lead to degradation in strength at temperatures exceeding 1,300°C. The maximum use temperature is 1,100°C. The second-generation fibers are SiC (Hi-Nicalon) fibers and Si-Zr-C-O (Tyranno ZMI) fibers. The oxygen content of these fibers is reduced to less than 1 wt% by electron beam irradiation curing in He. The thermal stability of these fibers is improved (they are stable up to 1,500°C), but their creep resistance is limited to a maximum of 1,150°C because their C/Si atomic ratio results in excess carbon. The third-generation fibers are stoichiometric SiC fibers, i.e., Hi-Nicalon Type S (hereafter Type S), Tyranno SA, and Sylramic™ fibers. They exhibit improved thermal stability and creep resistance up to 1,400°C. Stoichiometric SiC fibers meet many of the requirements for the use of ceramic matrix composites for high-temperature structural application. SiBN3C fibers derived from polyborosilazane also show promise for structural applications, remain in the amorphous state up to 1,800°C, and have good high-temperature creep resistance.

  7. Bioactive Terpenes from Marine-Derived Fungi

    Directory of Open Access Journals (Sweden)

    Ahmed M. Elissawy

    2015-04-01

    Full Text Available Marine-derived fungi continue to be a prolific source of secondary metabolites showing diverse bioactivities. Terpenoids from marine-derived fungi exhibit wide structural diversity including numerous compounds with pronounced biological activities. In this review, we survey the last five years’ reports on terpenoidal metabolites from marine-derived fungi with particular attention on those showing marked biological activities.

  8. 40 CFR 721.5913 - Phenothiazine derivative.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Phenothiazine derivative. 721.5913... Substances § 721.5913 Phenothiazine derivative. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a phenothiazine derivative (PMN P-96-813) is...

  9. 40 CFR 721.1820 - Bisphenol derivative.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bisphenol derivative. 721.1820 Section... Substances § 721.1820 Bisphenol derivative. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as bisphenol derivative (PMN No. P-92-509) is...

  10. 40 CFR 721.9658 - Thiadiazole derivative.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Thiadiazole derivative. 721.9658... Substances § 721.9658 Thiadiazole derivative. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as a thiadiazole derivative (PMN P-94-1631) is subject to...

  11. 12 CFR 403.4 - Derivative classification.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Derivative classification. 403.4 Section 403.4 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES CLASSIFICATION, DECLASSIFICATION, AND SAFEGUARDING OF NATIONAL SECURITY INFORMATION § 403.4 Derivative classification. (a) Use of derivative...

  12. 28 CFR 17.26 - Derivative classification.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Derivative classification. 17.26 Section... ACCESS TO CLASSIFIED INFORMATION Classified Information § 17.26 Derivative classification. (a) Persons need not possess original classification authority to derivatively classify information based on source...

  13. 6 CFR 7.26 - Derivative classification.

    Science.gov (United States)

    2010-01-01

    ... 6 Domestic Security 1 2010-01-01 2010-01-01 false Derivative classification. 7.26 Section 7.26... INFORMATION Classified Information § 7.26 Derivative classification. (a) Derivative classification is defined... already classified, and marking the newly developed material consistent with the classification markings...

  14. 32 CFR 2001.22 - Derivative classification.

    Science.gov (United States)

    2010-07-01

    ... Intelligence. (4) When determining the most restrictive declassification instruction among multiple source... shall appear as: Derived From: Multiple Sources (ii) The derivative classifier shall include a listing... derivatively classified on the basis of a source document that is itself marked “Multiple Sources” shall cite...

  15. 12 CFR 563.172 - Financial derivatives.

    Science.gov (United States)

    2010-01-01

    ... underlying assets, indices, or reference rates. The most common types of financial derivatives are futures, forward commitments, options, and swaps. A mortgage derivative security, such as a collateralized mortgage... 12 Banks and Banking 5 2010-01-01 2010-01-01 false Financial derivatives. 563.172 Section 563.172...

  16. Deriving the bond pricing equation

    Directory of Open Access Journals (Sweden)

    Kožul Nataša

    2014-01-01

    Full Text Available Given the recent focus on Eurozone debt crisis and the credit rating downgrade not only of US debt, but that of other countries and many UK major banking institutions, this paper aims to explain the concept of bond yield, its different measures and bond pricing equation. Yields on capital market instruments are rarely quoted on the same basis, which makes direct comparison between different as investment choices impossible. Some debt instruments are quoted on discount basis, whilst coupon-bearing ones accrue interest differently, offer different compounding opportunities, have different coupon payment frequencies, and manage non-business day maturity dates differently. Moreover, rules governing debt vary across countries, markets and currencies, making yield calculation and comparison a rather complex issue. Thus, some fundamental concepts applicable to debt instrument yield measurement, with focus on bond equation, are presented here. In addition, bond equation expressed in annuity form and used to apply Newton-Raphson algorithm to derive true bond yield is also shown.

  17. The estimation of derived limits

    International Nuclear Information System (INIS)

    Harrison, N.T.; Bryant, P.M.; Clarke, R.H.; Morley, F.

    1979-08-01

    In practical radiation protection, it is often necessary to calculate limits of intake of radionuclides associated with various quantities; such limits are needed, for example, to assess the adequacy of the control of environmental contamination. In publication 26 of the International Commission on Radiological Protection (ICRP), these limits, when related to the basic limits of dose-equivalent by a defined model, are referred to as Derived Limits (DLs). In the present report the principles to be adopted by the Board in calculating DLs to be recommended for general application within the United Kingdom are outlined. DLs will be recommended for a wide range of radionuclides and for circumstances relevant to the workplace, and, more frequently, the general environment. The latter will include DLs in foodstuffs and associated environmental materials, such as soil and grass, and DLs for discharges from stacks. DLs will be related to dose equivalents for workers or members of the public for stochastic or non-stochastic effects as appropriate. Consideration will be given to relevant data on radiosensitivity, metabolism and dosimetry for children and to the physicochemical forms of radionuclides. (author)

  18. Option Derivatives in Electricity Hedging

    Directory of Open Access Journals (Sweden)

    P. Pavlátka

    2010-01-01

    Full Text Available Despite the high volatility of electricity prices, there is still little demand for electricity power options, and the liquidity on the power exchanges of these power derivatives is quite low. One of the reasons is the uncertainty about how to evaluate these electricity options and about finding the right fair value of this product. Hedging of electricity is associated mainly with products such as futures and forwards. However, due to new trends in electricity trading and hedging, it is also useful to think more about options and the principles for working with them in hedging various portfolio positions and counterparties. We can quite often encounter a situation when we need to have a perfect hedge for our customer’s (end user consuming electricity portfolio, or we have to evaluate the volumetric risk (inability of a customer to predict consumption, which is very similar to selling options. Now comes the moment to compare the effects of using options or futures to hedge these open positions. From a practical viewpoint, the Black-Scholes prices appear to be the best available and the simplest method for evaluating option premiums, but there are some limitations that we have to consider.

  19. Speeding up Derivative Configuration from Product Platforms

    Directory of Open Access Journals (Sweden)

    Ruben Heradio

    2014-06-01

    Full Text Available To compete in the global marketplace, manufacturers try to differentiate their products by focusing on individual customer needs. Fulfilling this goal requires that companies shift from mass production to mass customization. Under this approach, a generic architecture, named product platform, is designed to support the derivation of customized products through a configuration process that determines which components the product comprises. When a customer configures a derivative, typically not every combination of available components is valid. To guarantee that all dependencies and incompatibilities among the derivative constituent components are satisfied, automated configurators are used. Flexible product platforms provide a big number of interrelated components, and so, the configuration of all, but trivial, derivatives involves considerable effort to select which components the derivative should include. Our approach alleviates that effort by speeding up the derivative configuration using a heuristic based on the information theory concept of entropy.

  20. Perturbative reduction of derivative order in EFT

    Science.gov (United States)

    Glavan, Dražen

    2018-02-01

    Higher derivative corrections are ubiquitous in effective field theories, which seemingly introduces new degrees of freedom at successive orders. This is actually an artefact of the implicit local derivative expansion defining effective field theories. We argue that higher derivative corrections that introduce additional degrees of freedom should be removed and their effects captured either by lower derivative corrections, or special combinations of higher derivative corrections not propagating extra degrees of freedom. Three methods adapted for this task are examined and field redefinitions are found to be most appropriate. First order higher derivative corrections in a scalar tensor theory are removed by field redefinition and it is found that their effects are captured by a subset of Horndeski theories. A case is made for restricting the effective field theory expansions in principle to only terms not introducing additional degrees of freedom.

  1. Conformable derivative approach to anomalous diffusion

    Science.gov (United States)

    Zhou, H. W.; Yang, S.; Zhang, S. Q.

    2018-02-01

    By using a new derivative with fractional order, referred to conformable derivative, an alternative representation of the diffusion equation is proposed to improve the modeling of anomalous diffusion. The analytical solutions of the conformable derivative model in terms of Gauss kernel and Error function are presented. The power law of the mean square displacement for the conformable diffusion model is studied invoking the time-dependent Gauss kernel. The parameters related to the conformable derivative model are determined by Levenberg-Marquardt method on the basis of the experimental data of chloride ions transportation in reinforced concrete. The data fitting results showed that the conformable derivative model agrees better with the experimental data than the normal diffusion equation. Furthermore, the potential application of the proposed conformable derivative model of water flow in low-permeability media is discussed.

  2. Weather Derivatives – Origin, Types and Application

    Directory of Open Access Journals (Sweden)

    Piotr Binkowski

    2008-01-01

    Full Text Available The number of companies that are exposed to the revenues loss risk caused by weather variability is still increasing. The businesses that are mostly exposed to weather risk are following: energy, agriculture, constructions and transport. That situation has initiated dynamic growth of weather derivatives markets as well as the awareness of the weather risk among the market participants. Presently, the weather derivatives markets evaluate rapidly in all the mature economies: USA, Asia and Europe. Constructing weather derivatives relies on qu- antifying climate factors in the form of indexes, what is quite simple task, more difficultly can be gathering precise historical data of required climate factors. Taking into consideration so far development of derivatives especially the financial derivatives based on different types of indexes financial market has at disposal wide range of different types of proved derivatives (futures, forward, options, swaps, which can be successfully utilised on the weather-driven markets both for hedging weather risk and speculating.

  3. Derivative markets in emerging economies: a survey

    OpenAIRE

    Atılgan, Yiğit; Atilgan, Yigit; Demirtaş, Özgür; Demirtas, Ozgur; Şimşek, Koray Deniz; Simsek, Koray Deniz

    2016-01-01

    We review the literature on derivatives in emerging markets. This young but booming literature appears to be concentrated on a few countries, but is quite rich in terms of subject coverage. We classify these topics based on the generally recognized functions of derivative markets and restrict the review to the set of top journals in finance and those that specialize on emerging markets or derivatives.

  4. Transchromosomally derived Ig heavy chains

    Energy Technology Data Exchange (ETDEWEB)

    Knight, K.L.; Kingzette, M.; Crane, M.A. [Loyola Univ. Chicago, Maywood, IL (United States)] [and others

    1995-07-15

    During an immune response, activated B cells undergo isotype switching and begin to express isotypes other than IgM and IgD. Isotype switching occurs when downstream C{gamma}, C{alpha}, or C{epsilon} genes are rearranged into the S{mu} chromosomal region, resulting in the deletion of the region in between. These rearrangements usually occur in cis, i.e., intrachromosomally. In previous studies, we analyzed allotypic specificities of rabbit secretory IgA and identified a substantial number of IgA heavy chains with V{sub h} and C{alpha} allotypes that were encoded by V{sub h} and C{alpha} genes in trans. In those studies, however, we could not determine whether the trans association of V{sub H} and C{alpha} occurred during VDJ gene rearrangement or during isotype switching. Here, we cloned rabbit cDNA which encodes these trans IgA heavy chains and determined the chromosomal origin of the V{sub H}, J{sub H}, and C{alpha} regions. To determine whether the trans association occurred during VDJ gene rearrangement, we analyzed the nucleotide polymorphism of the J{sub H} region and the V{sub H} allotype encoded by the cDNA. We found that the V{sub H} and J{sub H} genes used in the VDJ gene rearrangements were from the same chromosome, indicating that the V{sub H}, D, and J{sub H} gene rearrangements occurred in cis. Furthermore, we analyzed the DNA polymorphisms of J{sub H} and C{alpha} and showed that the VDJ and C{alpha} genes encoding the trans IgA molecules were derived from different parental chromosomes. We suggest that the trans association occurred during isotype switching. This study shows that V{sub H} and C{sub H} can associate transchromosomally as part of a normal immune response. 34 refs., 5 figs.

  5. OLS ANALOG DERIVED LIGHTNING V11

    Data.gov (United States)

    National Aeronautics and Space Administration — The OLS Analog Derived Lightning dataset consists of global lightning signatures from the Defense Meteorological Satellite Program (DMSP) Operational Linescan System...

  6. Global Journal of Pure and Applied Sciences - Vol 10, No 3 (2004)

    African Journals Online (AJOL)

    Production function analysis of small-scale poultry production in Jos South Local Government Area of Plateau State, Nigeria · EMAIL FULL TEXT EMAIL FULL TEXT ... magnetic measurement and spectroscopic studies on cobalt (II) complexes in thiosemicarbazones derived from P-anisaldehyde, P-tolualdehyde, P-vanillin ...

  7. Complexes of cobalt(II), nickel(II), copper(II), zinc(II), cadmium(II) and dioxouranium(II) with thiophene-2-aldehydethiosemicarbazone

    International Nuclear Information System (INIS)

    Singh, Balwan; Misra, Harihar

    1986-01-01

    Metal complexes of thiosemicarbazides have been known for their pharmacological applications. Significant antitubercular, fungicidal and antiviral activities have been reported for thiosemicarbazides and their derivatives. The present study describes the systhesis and characterisation of complexes of Co II , Cu II , Zn II ,Cd II and UO II with thiosemicarbazone obtained by condensing thiophene-2-aldehyde with thiosemicarbazide. 17 refs., 2 tables. (author)

  8. [Anti-arrhythmic action of some amidinohydrazone substituted benzophenones. 1. Synthesis of new amidinohydrazone and N-phenylamidinohydrazone substituted benzophenones].

    Science.gov (United States)

    Richter, P H; Kasbohm, K; Besch, A; Hagen, A

    1992-10-01

    The title compounds are synthesized as a rule by condensation of substituted benzophenones and derivatives of aminoguanidine in the presence of up to 2.5 moles of an anorganic acid. They can be obtained alternatively via corresponding hydrazones, thiosemicarbazones or methylthiothiocarbonylhydrazones.

  9. 2018-03-01T11:50:56Z https://www.ajol.info/index.php/all/oai oai:ojs ...

    African Journals Online (AJOL)

    article/41093 2018-03-01T11:50:56Z jacar:ART The Study Of Corrosion Inhibition Of Mild Steel In Hydrochloric Acid Solutions By Methyl And Phenyl Derivatives Of Thiosemicarbazone Using Thermometric Method Ita, BI Ekpe, UJ Ibok, UJ The ...

  10. Author Details

    African Journals Online (AJOL)

    Ita, BI. Vol 1, No 1 (1994) - Articles The Study Of Corrosion Inhibition Of Mild Steel In Hydrochloric Acid Solutions By Methyl And Phenyl Derivatives Of Thiosemicarbazone Using Thermometric Method Abstract. ISSN: 1117-2894. AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for Librarians ...

  11. Author Details

    African Journals Online (AJOL)

    Ekpe, UJ. Vol 1, No 1 (1994) - Articles The Study Of Corrosion Inhibition Of Mild Steel In Hydrochloric Acid Solutions By Methyl And Phenyl Derivatives Of Thiosemicarbazone Using Thermometric Method Abstract. ISSN: 1117-2894. AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for Librarians ...

  12. Heteropolyacids in synthesis of benzoyl hydrazone derivatives

    Directory of Open Access Journals (Sweden)

    Sodeh Sadjadi

    2009-12-01

    Full Text Available Keggin type of heteropolyacids as green reusable and efficient catalyst was used in the synthesis of benzoyl hydrazones from reaction of benzoic acid hydrazide and aldehyde and ketone derivatives. The synthesis of N-acetyl and N-benzoyl derivatives has also been performed by the reaction of obtained benzoyl hydrazones with acylcholorides in presence of this kind of heteropolyacids.

  13. Molecular dynamics of a proguanil derivative

    African Journals Online (AJOL)

    pc

    ABSTRACT. Proguanil is a prophylactic antimalarial drug t stopping the malaria parasites from reprod molecular dynamics of a derivative of Progua benzene ring of the molecule of Proguanil derivative. The molecular geometries of chemical calculations at the Restricted Hatre. 31G(d,p) and 6-31++G. Also, Density Func.

  14. "Nonmorphological Derivations" and the Four Main English ...

    African Journals Online (AJOL)

    This article addresses the problem of "nonmorphological derivations" in English and its consequences for pedagogical lexicography, i.e. learner's dictionaries. The term "nonmorphological derivation" refers to cases such as sun — solar, moon — lunar, cat — feline, and in general to all cases where instead of, or in addition ...

  15. Synthesis of Lipophilic Guanine N-9 Derivatives

    DEFF Research Database (Denmark)

    Wamberg, Michael C; Pedersen, Pernille L; Löffler, Philipp M G

    2017-01-01

    the synthesis of five new guanine-N9 derivatives bearing alkyl chains with different attachment chemistries, exploiting a synthesis pathway that allows a flexible choice of hydrophobic anchor moiety. In this study, these guanine derivatives were functionalized with C10 chains for insertion into decanoic acid...

  16. Adsorption and desorption of cellulose derivatives

    NARCIS (Netherlands)

    Hoogendam, C.W.

    1998-01-01

    Cellulose derivatives, in particular carboxymethyl cellulose (CMC) are used in many (industrial) applications. The aim of this work is to obtain insight into the adsorption mechanism of cellulose derivatives on solid-liquid interfaces.

    In chapter

  17. Few Fractional Order Derivatives and Their Computations

    Science.gov (United States)

    Bhatta, D. D.

    2007-01-01

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

  18. Stabilization of biomass-derived pyrolysis oils

    NARCIS (Netherlands)

    Venderbosch, R. H.; Ardiyanti, A. R.; Wildschut, J.; Oasmaa, A.; Heeres, H. J.

    BACKGROUND: Biomass is the only renewable feedstock containing carbon, and therefore the only alternative to fossil-derived crude oil derivatives. However, the main problems concerning the application of biomass for biofuels and bio-based chemicals are related to transport and handling, the limited

  19. Understanding the Derivative through the Calculus Triangle

    Science.gov (United States)

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

    2012-01-01

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

  20. 45 CFR 601.5 - Derivative classification.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 3 2010-10-01 2010-10-01 false Derivative classification. 601.5 Section 601.5... CLASSIFICATION AND DECLASSIFICATION OF NATIONAL SECURITY INFORMATION § 601.5 Derivative classification. Distinct from “original” classification is the determination that information is in substance the same as...

  1. 46 CFR 503.55 - Derivative classification.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 9 2010-10-01 2010-10-01 false Derivative classification. 503.55 Section 503.55... Security Program § 503.55 Derivative classification. (a) In accordance with Part 2 of Executive Order 12958... developed material consistent with the classification markings that apply to the source information, is...

  2. 5 CFR 2500.5 - Derivative classification.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Derivative classification. 2500.5 Section 2500.5 Administrative Personnel OFFICE OF ADMINISTRATION, EXECUTIVE OFFICE OF THE PRESIDENT INFORMATION SECURITY REGULATION § 2500.5 Derivative classification. The Office of Administration serves only as the...

  3. 17 CFR 200.506 - Derivative classification.

    Science.gov (United States)

    2010-04-01

    ... 17 Commodity and Securities Exchanges 2 2010-04-01 2010-04-01 false Derivative classification. 200...; CONDUCT AND ETHICS; AND INFORMATION AND REQUESTS Classification and Declassification of National Security Information and Material § 200.506 Derivative classification. Any document that includes paraphrases...

  4. 22 CFR 9.6 - Derivative classification.

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Derivative classification. 9.6 Section 9.6... classification. (a) Definition. Derivative classification is the incorporating, paraphrasing, restating or... with the classification of the source material. Duplication or reproduction of existing classified...

  5. "Nonmorphological Derivations" and the Four Main English ...

    African Journals Online (AJOL)

    rbr

    Abstract: This article addresses the problem of "nonmorphological derivations" in English and its consequences for pedagogical lexicography, i.e. learner's dictionaries. The term "nonmorpholo- gical derivation" refers to cases such as sun — solar, moon — lunar, cat — feline, and in general to all cases where instead of, ...

  6. Deriving force field parameters for coordination complexes

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Brandt, Peter

    2001-01-01

    The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters......, and validate the final force field, Alternatives to force field derivation are discussed briefly....

  7. Weyl and Marchaud Derivatives: A Forgotten History

    Directory of Open Access Journals (Sweden)

    Fausto Ferrari

    2018-01-01

    Full Text Available In this paper, we recall the contribution given by Hermann Weyl and André Marchaud to the notion of fractional derivative. In addition, we discuss some relationships between the fractional Laplace operator and Marchaud derivative in the perspective to generalize these objects to different fields of the mathematics.

  8. Weyl and Marchaud derivatives: a forgotten history

    OpenAIRE

    Ferrari, Fausto

    2017-01-01

    In this paper, we recall the contribution given by Hermann Weyl and André Marchaud to the notion of fractional derivative. In addition, we discuss some relationships between the fractional Laplace operator and Marchaud derivative in the perspective to generalize these objects to different fields of the mathematics.

  9. The Option Value in Timing Derivative Trades

    NARCIS (Netherlands)

    Drost, Feico; van der Heijden, T.G.E.; Werker, Bas

    Risk-neutral traders executing derivative trades on behalf of portfolio managers maximize their expected profit compared to trading at pre-determined times by timing trades, using the quickly changing risk exposures of derivative baskets. The optimal order submission strategy is a sequence of stop

  10. Heteropolyacids in synthesis of benzoyl hydrazone derivatives ...

    African Journals Online (AJOL)

    Keggin type of heteropolyacids as green reusable and efficient catalyst was used in the synthesis of benzoyl hydrazones from reaction of benzoic acid hydrazide and aldehyde and ketone derivatives. The synthesis of N-acetyl and N-benzoyl derivatives has also been performed by the reaction of obtained benzoyl ...

  11. Derivatives and the non-executive director

    NARCIS (Netherlands)

    van der Nat, M.; Buckley, A.A.

    2003-01-01

    Do non-executive directors have the wherewithal to overview a corporation's integrity, quality of performance and management in the area of derivatives policy? In a survey of the understanding and monitoring of derivatives in a small sample of quoted companies, we found disturbing levels of

  12. Generalized Fractional Derivative Anisotropic Viscoelastic Characterization

    Directory of Open Access Journals (Sweden)

    Harry H. Hilton

    2012-01-01

    Full Text Available Isotropic linear and nonlinear fractional derivative constitutive relations are formulated and examined in terms of many parameter generalized Kelvin models and are analytically extended to cover general anisotropic homogeneous or non-homogeneous as well as functionally graded viscoelastic material behavior. Equivalent integral constitutive relations, which are computationally more powerful, are derived from fractional differential ones and the associated anisotropic temperature-moisture-degree-of-cure shift functions and reduced times are established. Approximate Fourier transform inversions for fractional derivative relations are formulated and their accuracy is evaluated. The efficacy of integer and fractional derivative constitutive relations is compared and the preferential use of either characterization in analyzing isotropic and anisotropic real materials must be examined on a case-by-case basis. Approximate protocols for curve fitting analytical fractional derivative results to experimental data are formulated and evaluated.

  13. Synthesis, experimental and theoretical studies on its crystal structure and FT-IR spectrum of new thiosemicarbazone compound E-2-(4-isopropylbenzylidene)thiosemicarbazone

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Mehrani, S.; Eigner, Václav; Dušek, Michal

    2013-01-01

    Roč. 1047, SEP (2013), s. 87-94 ISSN 0022-2860 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional support: RVO:68378271 Keywords : thiosemicarbazide * single crystal * FT-IR * 1 H NMR * DFT Subject RIV: CB - Analytical Chemistry , Separation Impact factor: 1.599, year: 2013

  14. Drug laws and the 'derivative' problem.

    Science.gov (United States)

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

    2014-01-01

    The concept of a 'derivative' is used widely in chemistry, where its precise meaning depends on the circumstances. However, numerous examples of derivative also occur in domestic drugs legislation, some of which stem from the 1961 United Nations Single Convention on Narcotic Drugs. There is a commonly held view that only 'first-order' derivatives should be considered: substances that can be created from a parent structure in a single chemical reaction. In other words, 'derivatives of derivatives' are excluded. However, some substances related to ecgonine (e.g. 2-carbomethoxytropinone) are clearly convertible to cocaine, even though this may require more than one reaction step. It follows that 2-carbomethoxytropinone is a controlled drug, a situation that most chemists would regard as perverse. A more extreme example of the complexity of 'derivative' is shown by the conversion of thebaine to buprenorphine. Even though this requires six or more stages, the US Drug Enforcement Administration successfully argued in a 1986 case that for the purposes of the Controlled Substances Act, the number of steps required was irrelevant; buprenorphine was a derivative of thebaine. Because the term derivative is rarely defined in statutes, the legal status of some substances, such as 2-bromo-LSD, is uncertain. Although a number of definitions of derivative can be found in the chemical literature, no single definition is adequate to describe all situations where it occurs in legislation. Unless qualified, it is suggested that the term derivative should be avoided in any future legislation. Copyright © 2013 John Wiley & Sons, Ltd.

  15. 40 CFR 721.10039 - Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid derivative, ammonium salt (generic). 721.10039 Section... Substances § 721.10039 Diethoxybenzenamine derivative, diazotized, coupled with aminonaphthalenesulfonic acid...

  16. Four New Citrinin Derivatives from a Marine-Derived Penicillium sp. Fungal Strain

    OpenAIRE

    Wang, Mei; Lu, Chun; Xu, Qing; Song, Si; Hu, Zhi; Zheng, Zhong

    2013-01-01

    Four new citrinin derivatives, including two citrinin dimers and two citrinin monomer derivatives, were isolated and identified from a marine-derived fungal strain Penicillium sp. ML226 along with six known related compounds. Their structures were elucidated by spectroscopic and chemical methods. The new compounds showed modest cytotoxic activity against HepG-2 cell line and weak antimicrobial activity against Staphylococcus aureus.

  17. Risk management, derivatives and shariah compliance

    Science.gov (United States)

    Bacha, Obiyathulla Ismath

    2013-04-01

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

  18. Derivation of GFDM Based on OFDM Principles

    Energy Technology Data Exchange (ETDEWEB)

    Hussein Moradi; Behrouz Farhang-Boroujeny

    2015-06-01

    This paper starts with discussing the principle based on which the celebrated orthogonal frequency division multiplexing (OFDM) signals are constructed. It then extends the same principle to construct the newly introduced generalized frequency division multiplexing (GFDM) signals. This novel derivation sheds light on some interesting properties of GFDM. In particular, our derivation seamlessly leads to an implementation of GFDM transmitter which has significantly lower complexity than what has been reported so far. Our derivation also facilitates a trivial understanding of how GFDM (similar to OFDM) can be applied in MIMO channels.

  19. Vulnerable Derivatives and Good Deal Bounds

    DEFF Research Database (Denmark)

    Murgoci, Agatha

    2013-01-01

    a new restriction in the arbitrage free model by setting upper bounds on the Sharpe ratios (SRs) of the assets. The potential prices that are eliminated represent unreasonably good deals. The constraint on the SR translates into a constraint on the stochastic discount factor. Thus, tight pricing bounds......We price vulnerable derivatives – i.e. derivatives where the counterparty may default. These are basically the derivatives traded on the over-the-counter (OTC) markets. Default is modelled in a structural framework. The technique employed for pricing is good deal bounds (GDBs). The method imposes...... in a consistent way. Finally, we numerically analyse the behaviour of the good deal pricing bounds....

  20. Derived Categories and Zero-Brane Stability

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, Albion

    2001-07-25

    We define a particular class of topological field theories associated to open strings and prove the resulting D-branes and open strings form the bounded derived category of coherent sheaves. This derivation is a variant of some ideas proposed recently by Douglas. We then argue that any 0-brane on any Calabi-Yau threefold must become unstable along some path in the Kahler moduli space. As a byproduct of this analysis we see how the derived category can be invariant under a birational transformation.

  1. Particle production in higher derivative theory

    Indian Academy of Sciences (India)

    Lemaitre–Robertson–Walker cosmological model during the early stages of the universe is analysed in the framework of higher derivative theory. The universe has been considered as an open thermodynamic system where particle production ...

  2. Battery failure model derived from flaw theory

    Science.gov (United States)

    Schulman, I.

    1981-01-01

    A previously derived failure model for battery lifetime is discussed in terms of growth rate of the flaw, distribution of flaw sizes, and number of flaws. Equations are presented for determining the failure model for a nickel cadmium battery.

  3. MANGROVE-DERIVED NUTRIENTS AND CORAL REEFS

    Science.gov (United States)

    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...

  4. SYNTHESIS OF SUBSTITUTED FLAVONE DERIVATIVES AS ...

    African Journals Online (AJOL)

    Preferred Customer

    results showed that this skeletal framework exhibited marked potency as antimicrobial agents. KEY WORDS. KEY WORDS: Chalcone ... It showed significant role in pharmaceutical effects [1] including leishmanicidal activity, oviposter ... new substituted flavone derivative as potent antimicrobial agent. EXPERIMENTAL.

  5. Langmuir-Blodgett Films of Graphene Derivatives

    DEFF Research Database (Denmark)

    Petersen, Søren Vermehren

    The work presented in this PhD thesis can be divided into two main categories: 1) Syn-thesis and Langmuir-Blodgett assembly of graphene derivatives and 2) Application and characterization of graphene derivatives as an interface material in molecular electron-ics. While the first category could...... be divided further, the synthesis and Langmuir-Blodgett results are intertwined in such a way that it would be more confusing to pre-sent them separately. The Langmuir-Blodgett deposition also played a crucial, but more isolated, part in the investigation of graphene derivatives as interface material....... Solution processable graphene in the form of chemically derived graphene has been synthesized through the modified Hummers method with subsequent reduction into reduced graphene oxide with hydrazine. The completeness of oxidation, the effect of the refinement steps and the reduction of the graphene oxide...

  6. Generalized Back Propagation for Training Pattern Derivatives

    Czech Academy of Sciences Publication Activity Database

    Šíma, Jiří

    1994-01-01

    Roč. 4, č. 1 (1994), s. 91-98 ISSN 1210-0552 Grant - others:ALTEC(XE) IC-1000 Keywords : back propagation * smoothness constraints * multi-layered network * expert system * explicite kulle * trainning pattern derivatives * generalization

  7. Anodic selective functionalization of cyclic amine derivatives

    OpenAIRE

    Onomura, Osamu

    2012-01-01

    Anodic reactions are desirable methods from the viewpoint of Green Chemistry, since no toxic oxidants are necessary for the oxidation of organic molecules. This review introduces usefulness of anodic oxidation and successive reaction for selective functionalization of cyclic amine derivatives.

  8. Proteomics Applications in Dental Derived Stem Cells.

    Science.gov (United States)

    Li, Jie; Tian, Weidong; Song, Jinlin

    2017-07-01

    At present, the existence of a variety of dental derived stem cells has been documented. These cells displayed promising clinical application potential not only for teeth and its surrounding tissue regeneration, but also for other tissues, such as nerve and bone regeneration. Proteomics is an unbiased, global informatics tool that provides information on all protein expression levels as well as post-translational modification in cells or tissues and is applicable to dental derived stem cells research. Over the last decade, considerable progress has been made to study the global proteome, secrotome, and membrane proteome of dental derived stem cells. Here, we present an overview of the proteomics studies in the context of stem cell research. Particular attention is given to dental derived stem cell types as well as current challenges and opportunities. J. Cell. Physiol. 232: 1602-1610, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  9. Synthesis and reactions of ferrocene derived hydroxymethyl ...

    Indian Academy of Sciences (India)

    Administrator

    racemic phosphines and their sulphides having hydroxymethyl and morpholinomethyl substituents on the phosphorus. Use of ferrocene-derived hydroxymethyl phosphine sulphide as a potential precursor for making organometallic spirocyclic compounds with inorganic heterocycles is studied. Reference. 1. Goodwin N J ...

  10. Patient-Derived Antibody Targets Tumor Cells

    Science.gov (United States)

    An NCI Cancer Currents blog on an antibody derived from patients that killed tumor cells in cell lines of several cancer types and slowed tumor growth in mouse models of brain and lung cancer without evidence of side effects.

  11. An application of the Ruscheweyh derivatives

    Directory of Open Access Journals (Sweden)

    Shigeyoshi Owa

    1986-01-01

    Full Text Available Let Dαf(z be the Ruscheweyh derivative defined by using the Hadamard product of f(z and z/(1−z1+α. Certain new classes Sα* and Kα are introduced by virtue of the Ruscheweyh derivative. The object of the present paper is to establish several interesting properties of Sα* and Kα. Further, some results for integral operator Jc(f of f(z are shown.

  12. Computer derivation of some dolphin echolocation signals.

    Science.gov (United States)

    Altes, R A

    1971-09-03

    Recent advances in radar theory have given rise to a straightforward method of sonar signal design. The method involves computer maximization of a signal-to-interference ratio. The procedure has been used to derive sonar signals that can accurately measure target velocity. When two dolphins were placed in a situation conducive to the utilization of such signals, their waveforms were similar to those that had been theoretically derived.

  13. Higher-derivative Lee-Wick unification

    International Nuclear Information System (INIS)

    Carone, Christopher D.

    2009-01-01

    We consider gauge coupling unification in Lee-Wick extensions of the Standard Model that include higher-derivative quadratic terms beyond the minimally required set. We determine how the beta functions are modified when some Standard Model particles have two Lee-Wick partners. We show that gauge coupling unification can be achieved in such models without requiring the introduction of additional fields in the higher-derivative theory and we comment on possible ultraviolet completions.

  14. Financial derivatives in power marketing: The basics

    International Nuclear Information System (INIS)

    Ramesh, V.C.; Ghosh, K.

    1996-01-01

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

  15. Power cocentralizing generalized derivations on prime rings

    Indian Academy of Sciences (India)

    ring it follows that [R,R] ⊆ L. This follows from pp. 4–5 in [6], Lemma 2 and Proposition 1 in [4] and Theorem 4 in [8]. 2. The case of inner generalized derivations on prime rings. We dedicate this section to prove the theorem in case both the generalized derivations. H and G are inner, that is there exist b, c, p, q ∈ U such that ...

  16. Molluscicidal and trypanocidal activities of lapachol derivatives.

    Science.gov (United States)

    Santos, A F; Ferraz, P A; de Abreu, F C; Chiari, E; Goulart, M O; Sant'Ana, A E

    2001-02-01

    The activity of the potassium salt of lapachol against the snail Biomphalaria glabrata and its egg masses was tested. The obtained IC50 values (2.70 ppm and 1.43 ppm, respectively) are indicative of a strong activity. Lapachol derivatives were also assayed against infective trypomastigote blood forms of T. cruzi and the triacetoxy derivative of reduced lapachol showed relevant trypanocidal activity, killing 95.7% of the parasites at the concentration of 42 microg/mL.

  17. Weather Derivatives – Origin, Types and Application

    OpenAIRE

    Piotr Binkowski

    2008-01-01

    The number of companies that are exposed to the revenues loss risk caused by weather variability is still increasing. The businesses that are mostly exposed to weather risk are following: energy, agriculture, constructions and transport. That situation has initiated dynamic growth of weather derivatives markets as well as the awareness of the weather risk among the market participants. Presently, the weather derivatives markets evaluate rapidly in all the mature economies: USA, Asia and Europ...

  18. Synthesis of Pharmacological Heterocyclic Derivatives Based Surfactants.

    Science.gov (United States)

    El-Sayed, Refat; Fadda, Ahmed A

    2016-01-01

    Synthesis of chromenopyrimidine derivatives and the related fused system carried out by the reaction of chromene derivative 1 with various reagents under suitable reaction conditions. Condensation of stearoyl chloride with these heterocycles, then, propoxylated the products using propylene oxide to produce surface active agents having a twofold capacity as surface and antimicrobial dynamic specialists which may be served in the production of medications, pesticides, beautifying agents or may be utilized as an antimicrobial. Some of the surface properties and antimicrobial activity were resolved.

  19. A note on derivations in semiprime rings

    Directory of Open Access Journals (Sweden)

    Joso Vukman

    2005-01-01

    Full Text Available We prove in this note the following result. Let n>1 be an integer and let R be an n!-torsion-free semiprime ring with identity element. Suppose that there exists an additive mapping D:R→R such that D(xn=∑j=1nxn−jD(xxj−1 is fulfilled for all x∈R. In this case, D is a derivation. This research is motivated by the work of Bridges and Bergen (1984. Throughout, R will represent an associative ring with center Z(R. Given an integer n>1, a ring R is said to be n-torsion-free if for x∈R, nx=0 implies that x=0. Recall that a ring R is prime if for a,b∈R, aRb=(0 implies that either a=0 or b=0, and is semiprime in case aRa=(0 implies that a=0. An additive mapping D:R→R is called a derivation if D(xy=D(xy+xD(y holds for all pairs x,y∈R and is called a Jordan derivation in case D(x2=D(xx+xD(x is fulfilled for all x∈R. Every derivation is a Jordan derivation. The converse is in general not true. A classical result of Herstein (1957 asserts that any Jordan derivation on a prime ring with characteristic different from two is a derivation. A brief proof of Herstein's result can be found in 1988 by Brešar and Vukman. Cusack (1975 generalized Herstein's result to 2-torsion-free semiprime rings (see also Brešar (1988 for an alternative proof. For some other results concerning derivations on prime and semiprime rings, we refer to Brešar (1989, Vukman (2005, Vukman and Kosi-Ulbl (2005.

  20. Structures of engineered Clostridium botulinum neurotoxin derivatives

    International Nuclear Information System (INIS)

    Masuyer, Geoffrey; Stancombe, Patrick; Chaddock, John A.; Acharya, K. Ravi

    2011-01-01

    The crystal structures of engineered C. botulinum neurotoxin–SNARE derivatives have been and exhibit strong stability of the LHn fragment. Targeted secretion inhibitors (TSIs) are a new class of engineered biopharmaceutical molecules derived from the botulinum neurotoxins (BoNTs). They consist of the metalloprotease light chain (LC) and translocation domain (Hn) of BoNT; they thus lack the native toxicity towards motor neurons but are able to target soluble N-ethylmaleimide-sensitive fusion protein attachment receptor (SNARE) proteins. These functional fragment (LHn) derivatives are expressed as single-chain proteins and require post-translational activation into di-chain molecules for function. A range of BoNT derivatives have been produced to demonstrate the successful use of engineered SNARE substrate peptides at the LC–Hn interface that gives these molecules self-activating capabilities. Alternatively, recognition sites for specific exoproteases can be engineered to allow controlled activation. Here, the crystal structures of three LHn derivatives are reported between 2.7 and 3.0 Å resolution. Two of these molecules are derivatives of serotype A that contain a SNARE peptide. Additionally, a third structure corresponds to LHn serotype B that includes peptide linkers at the exoprotease activation site. In all three cases the added engineered segments could not be modelled owing to disorder. However, these structures highlight the strong interactions holding the LHn fold together despite the inclusion of significant polypeptide sequences at the LC–Hn interface

  1. Resolution enhancement in second-derivative spectra.

    Science.gov (United States)

    Czarnecki, Mirosław A

    2015-01-01

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

  2. Quadratic forms and Clifford algebras on derived stacks

    OpenAIRE

    Vezzosi, Gabriele

    2013-01-01

    In this paper we present an approach to quadratic structures in derived algebraic geometry. We define derived n-shifted quadratic complexes, over derived affine stacks and over general derived stacks, and give several examples of those. We define the associated notion of derived Clifford algebra, in all these contexts, and compare it with its classical version, when they both apply. Finally, we prove three main existence results for derived shifted quadratic forms over derived stacks, define ...

  3. Introduction of Credit Derivatives and Valuation of Credit Default Swap

    OpenAIRE

    Han, Lu

    2006-01-01

    The credit derivative market was established at the beginning of the 1990s since the emergence of credit derivatives fits the rapid development of the whole derivatives market. However, compare to other derivative market, this market is still small and incomplete. As with other derivatives, credit derivatives can be used to either take more risk or hedge it, hence various credit derivatives instruments are accepted and widely used by market participants such as banks, insurance companies, etc...

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

    Science.gov (United States)

    King, H. F.; Komornicki, A.

    1986-01-01

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

  5. Four New Citrinin Derivatives from a Marine-Derived Penicillium sp. Fungal Strain

    Directory of Open Access Journals (Sweden)

    Zhong Hui Zheng

    2013-05-01

    Full Text Available Four new citrinin derivatives, including two citrinin dimers and two citrinin monomer derivatives, were isolated and identified from a marine-derived fungal strain Penicillium sp. ML226 along with six known related compounds. Their structures were elucidated by spectroscopic and chemical methods. The new compounds showed modest cytotoxic activity against HepG-2 cell line and weak antimicrobial activity against Staphylococcus aureus.

  6. Numerical derivative techniques for trajectory optimization

    Science.gov (United States)

    Hallman, Wayne P.

    1990-01-01

    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.

  7. Multiscale analysis of the CMB temperature derivatives

    Science.gov (United States)

    Marcos-Caballero, A.; Martínez-González, E.; Vielva, P.

    2017-02-01

    We study the Planck CMB temperature at different scales through its derivatives up to second order, which allows one to characterize the local shape and isotropy of the field. The problem of having an incomplete sky in the calculation and statistical characterization of the derivatives is addressed in the paper. The analysis confirms the existence of a low variance in the CMB at large scales, which is also noticeable in the derivatives. Moreover, deviations from the standard model in the gradient, curvature and the eccentricity tensor are studied in terms of extreme values on the data. As it is expected, the Cold Spot is detected as one of the most prominent peaks in terms of curvature, but additionally, when the information of the temperature and its Laplacian are combined, another feature with similar probability at the scale of 10o is also observed. However, the p-value of these two deviations increase above the 6% when they are referred to the variance calculated from the theoretical fiducial model, indicating that these deviations can be associated to the low variance anomaly. Finally, an estimator of the directional anisotropy for spinorial quantities is introduced, which is applied to the spinors derived from the field derivatives. An anisotropic direction whose probability is <1% is detected in the eccentricity tensor.

  8. PROCEDURES FOR THE DERIVATION OF EQUILIBRIUM ...

    Science.gov (United States)

    This equilibrium partitioning sediment benchmark (ESB) document describes procedures to derive concentrations for 32 nonionic organic chemicals in sediment which are protective of the presence of freshwater and marine benthic organisms. The equilibrium partitioning (EqP) approach was chosen because it accounts for the varying biological availability of chemicals in different sediments and allows for the incorporation of the appropriate biological effects concentration. This provides for the derivation of benchmarks that are causally linked to the specific chemical, applicable across sediments, and appropriately protective of benthic organisms. EqP can be used to calculate ESBs for any toxicity endpoint for which there are water-only toxicity data; it is not limited to any single effect endpoint. For the purposes of this document, ESBs for 32 nonionic organic chemicals, including several low molecular weight aliphatic and aromatic compounds, pesticides, and phthalates, were derived using Final Chronic Values (FCV) from Water Quality Criteria (WQC) or Secondary Chronic Values (SCV) derived from existing toxicological data using the Great Lakes Water Quality Initiative (GLI) or narcosis theory approaches. These values are intended to be the concentration of each chemical in water that is protective of the presence of aquatic life. For nonionic organic chemicals demonstrating a narcotic mode of action, ESBs derived using the GLI approach specifically for fres

  9. A New Truncated M-Fractional Derivative Type Unifying Some Fractional Derivative Types with Classical Properties

    Directory of Open Access Journals (Sweden)

    J. Vanterler da C. Sousa

    2018-01-01

    Full Text Available We introduce a truncated $M$-fractional derivative type for $\\alpha$-differentiable functions that generalizes four other fractional derivatives types recently introduced by Khalil et al., Katugampola and Sousa et al., the so-called conformable fractional derivative, alternative fractional derivative, generalized alternative fractional derivative and $M$-fractional derivative, respectively. We denote this new differential operator by $_{i}\\mathscr{D}_{M}^{\\alpha,\\beta }$, where the parameter $\\alpha$, associated with the order of the derivative is such that $ 0 <\\alpha<1 $, $\\beta>0$ and $ M $ is the notation to designate that the function to be derived involves the truncated Mittag-Leffler function with one parameter.The definition of this truncated $M$-fractional derivative type satisfies the properties of the integer-order calculus. We also present, the respective fractional integral from which emerges, as a natural consequence, the result, which can be interpreted as an inverse property. Finally, we obtain the analytical solution of the $M$-fractional heat equation and present a graphical analysis.

  10. Adaptive synchronization of the complex dynamical network with non-derivative and derivative coupling

    Energy Technology Data Exchange (ETDEWEB)

    Xu Yuhua, E-mail: yuhuaxu2004@163.co [College of Information Science and Technology, Donghua University, Shanghai 201620 (China) and Department of Maths, Yunyang Teachers' College, Hubei 442000 (China); Zhou Wuneng, E-mail: wnzhou@163.co [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Fang Jian' an [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Sun Wen [School of Mathematics and Information, Yangtze University, Hubei Jingzhou 434023 (China)

    2010-04-05

    This Letter investigates the synchronization of a general complex dynamical network with non-derivative and derivative coupling. Based on LaSalle's invariance principle, adaptive synchronization criteria are obtained. Analytical result shows that under the designed adaptive controllers, a general complex dynamical network with non-derivative and derivative coupling can asymptotically synchronize to a given trajectory, and several useful criteria for synchronization are given. What is more, the coupling matrix is not assumed to be symmetric or irreducible. Finally, simulations results show the method is effective.

  11. 32 CFR 2400.14 - Use of derivative classification.

    Science.gov (United States)

    2010-07-01

    ... 32 National Defense 6 2010-07-01 2010-07-01 false Use of derivative classification. 2400.14... SECURITY PROGRAM Derivative Classification § 2400.14 Use of derivative classification. (a) Derivative... person who applies derivative classification markings believes that the paraphrasing, restating, or...

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

    OpenAIRE

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

    2010-01-01

    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.

  13. Synthesis of azido derivatives of mucobromic acid

    Directory of Open Access Journals (Sweden)

    N. Mbebe

    2013-04-01

    Full Text Available Mucobromic acid is a highly reactive multicentered molecule. It was converted to its corresponding but unstable diazido derivative by reaction with two equivalents of sodium azide. The resultant 3,4-diazido-5-hydroxyfuran-2(5H-one was obtained in moderate yield (42% but decomposed readily even at low temperatures. Its more stable analogue 3,4-diazido-5-methoxyfuran-2(5H-one was obtained in excellent yield after reacting 5-methoxy-3,4-dibromofuranone with two equivalents of sodium azide. The 4,5-dibromopyridazinones which are in effect masked mucobromic acid derivatives, underwent nucleophilic substitution reactions with various nucleophiles, including azides and afforded corresponding azidopyridazinones in good yields. The synthesized azido-furanone and pyridazinone derivatives are earmarked for click reactions.DOI: http://dx.doi.org/10.4314/bcse.v27i1.17

  14. Additive derivations on algebras of measurable operators

    International Nuclear Information System (INIS)

    Ayupov, Sh.A.; Kudaybergenov, K.K.

    2009-08-01

    Given a von Neumann algebra M we introduce the so-called central extension mix(M) of M. We show that mix(M) is a *-subalgebra in the algebra LS(M) of all locally measurable operators with respect to M, and this algebra coincides with LS(M) if and only if M does not admit type II direct summands. We prove that if M is a properly infinite von Neumann algebra then every additive derivation on the algebra mix(M) is inner. This implies that on the algebra LS(M), where M is a type I ∞ or a type III von Neumann algebra, all additive derivations are inner derivations. (author)

  15. Dielectric transition of polyacrylonitrile derived carbon nanofibers

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  16. Analytics of Quinine and its Derivatives.

    Science.gov (United States)

    Kluska, Mariusz; Marciniuk-Kluska, Anna; Prukała, Dorota; Prukała, Wiesław

    2016-01-01

    The objective of this study was to perform a synthesis and analysis of the most important information on quinine and its derivatives, which are still very important in the treatment of malaria. The analysis of stereoisomers of quinine and its derivatives was conducted using two techniques, high-performance liquid chromatography and capillary electrophoresis. Particularly noteworthy is the technique used for the determination of isotachophoresis, referred to as one of the so-called green chemistry techniques. Particular attention was paid to properties and the use of quinine and its derivatives in the treatment of malaria. The analytical part will supplement knowledge about quinidine, quinine, and cinchonidine, and will contribute to the growth of research on the so-much-needed drugs against malaria.

  17. Azobenzene derivatives carrying a nitroxide radical.

    Science.gov (United States)

    Nakatsuji, Shin'ichi; Fujino, Masahiro; Hasegawa, Satoko; Akutsu, Hiroki; Yamada, Jun-ichi; Gurman, Vladimir S; Kh Vorobiev, Andrey

    2007-03-16

    Several trans-azobenzene derivatives carrying a nitroxide (aminoxyl) radical (2a, 6a-12a) were prepared, and their photoisomerization reactions to the corresponding cis-isomers were investigated. Although no fruitful results could be obtained for the photoisomerizations of the derivatives with para-subsituents (9a-12a), the unsubstututed derivatives at the para-position (2a, 6a, 7a, 8a) were found to show photoisomerizations by irradiation to give the corresponding cis-isomers (2b, 6b, 7b, 8b), being isolated as relatively stable solid materials, and the change of the intermolecular magnetic interactions was apparently observed by the structural change for each photochromic couple.

  18. Funding climate adaptation strategies with climate derivatives

    Directory of Open Access Journals (Sweden)

    L. Richard Little

    2015-01-01

    Full Text Available Climate adaptation requires large capital investments that could be provided not only by traditional sources like governments and banks, but also by derivatives markets. Such markets would allow two parties with different tolerances and expectations about climate risks to transact for their mutual benefit and, in so doing, finance climate adaptation. Here we calculate the price of a derivative called a European put option, based on future sea surface temperature (SST in Tasmania, Australia, with an 18 °C strike threshold. This price represents a quantifiable indicator of climate risk, and forms the basis for aquaculture industries exposed to the risk of higher SST to finance adaptation strategies through the sale of derivative contracts. Such contracts provide a real incentive to parties with different climate outlooks, or risk exposure to take a market assessment of climate change.

  19. FINANCIAL DERIVATIVES - MEANINGS BEYOND SUBPRIME CRISIS STIGMA

    Directory of Open Access Journals (Sweden)

    FELICIA RAMONA BIRĂU

    2012-12-01

    Full Text Available Derivatives are designed as complex financial instruments and their main aim is to manage the risk associated with the underlying asset, in order to ensure against fluctuations in value, or to profit from periods of inactivity, instability or decline. In recent years financial derivatives have experienced a fulminant development and also they have been perceived as an effective lever of the modern economy. The subprime crisis was triggered by a quite significant financial infrastructure glitch, which coalesced around certain factors influence, such as : highly permissive regulation of financial markets, speculative bubbles, underperforming risk management, liquidity injections and structural imbalances. Despite the fact that is a innovative segment and quite difficult affordable as understanding level of the operation mechanisms, financial derivatives were only the tool triggering this global dimension crisis.

  20. Langmuir-Blodgett Films of Graphene Derivatives

    DEFF Research Database (Denmark)

    Petersen, Søren Vermehren

    The work presented in this PhD thesis can be divided into two main categories: 1) Syn-thesis and Langmuir-Blodgett assembly of graphene derivatives and 2) Application and characterization of graphene derivatives as an interface material in molecular electron-ics. While the first category could....... Solution processable graphene in the form of chemically derived graphene has been synthesized through the modified Hummers method with subsequent reduction into reduced graphene oxide with hydrazine. The completeness of oxidation, the effect of the refinement steps and the reduction of the graphene oxide...... immobilization of the monolayered graphene oxide via the Langmuir-Blodgett deposition technique prior to a three step reduction scheme involving hydrazine reduc-tion, sulfuric acid de-oxygenation, and thermal annealing. This method resulted in wrin-kle-free reduced graphene oxide with a negligible oxygen content...

  1. 5-Nitroimidazole Derivatives and their Antimicrobial Activity

    International Nuclear Information System (INIS)

    Khan, K.M.; Salar, U.; Yousuf, S.; Naz, F.

    2016-01-01

    5-Nitroimidazole derivatives 2-8 were synthesized from secnidazole. The syntheses were accomplished in two steps which start from the oxidation of secnidazole to the secnidazolone 1. Secnidazolone 1 was converted into its hydrazone derivative 2-8 by treating with different substituted acid hydrazide. Compounds 2-8 were evaluated for their antimicrobial activity against Gram-positive and Gram-negative bacteria, compounds 3 and 4 showed the significant activity against Staphylococcus epidermidis, however, compound 2 showed good inhibitions against Corynebacterium diphtheria when compared with the standard. Compound 3 showed good inhibitory potential against tested Gram-negative bacterial strains i.e. Enterobacter aerogene, Escherichia coli, Salmonella typhi, Salmonella paratyphi A, Shigella flexeneri and Vibrio choleriae. All synthetic derivatives were also tested against eight fungal stains, however, they were weekly active against Aspergillus flavus and Candida albican. The synthesized compounds were characterized by different spectroscopy techniques. (author)

  2. Development of chitosan derivatives with anhydride maleic

    International Nuclear Information System (INIS)

    Silva, Solranny C.C.C.; Braz, Elton Marks de A.; Brito, Carla Adriana R. de S.; Silva, Durcilene A. da; Junior, Luiz de S.S.; Silva Filho, Edson C. da

    2015-01-01

    Chitosan was chemically modified with maleic anhydride in ratios of 1/2, 1/5 and 1/10 in the absence of solvents. The obtained derivatives were characterized by elemental analysis, FTIR, thermal analysis (TGA / DTG) and XRD where it was possible to prove the chemical modification. Elemental analysis showed an increase of the relation C / N with the increasing of the proportion of anhydrides. The FTIR showed the incorporation of the anhydride in the biopolymer structure. The thermal stability of the derivatives was lower in comparison to the polysaccharide and by XRD the modified materials were less crystalline. (author)

  3. Modelling Environment Changes for Pricing Weather Derivatives

    Directory of Open Access Journals (Sweden)

    Kabaivanov Stanimir

    2017-12-01

    Full Text Available This paper focuses on modelling environment changes in a way that allows to price weather derivatives in a flexible and efficient way. Applications and importance of climate and weather contracts extends beyond financial markets and hedging as they can be used as complementary tools for risk assessment. In addition, option-based approach toward resource management can offer very special insights on rare-events and allow to reuse derivative pricing methods to improve natural resources management. To demonstrate this general concept, we use Monte Carlo and stochastic modelling of temperatures to evaluate weather options. Research results are accompanied by R and Python code.

  4. Ethanolamine derivatives of dysprosium and holmium

    International Nuclear Information System (INIS)

    Gharia, K.S.; Singh, M.; Mathur, S.; Sankhla, B.S.

    1981-01-01

    The preparation and properties of dysprosium and holmium derivatives of mono-, di- and tri-ethanolamine derivatives are described. Compounds of general formulae: Ln(OPrsup(i)) 2 (mea), Ln(OPrsup(i))(mea) 2 , Ln(mea) 3 , Ln(OPrsup(i))(dea), Ln 2 (dea) 3 , Ln(dea)(deaH) and Ln(tea) (where Ln = Dy or Ho and mea, dea and tea are the anions of respective ethanolamine) were obtained and characterized by elemental analysis and IR spectra. (author)

  5. Special relativity derived from spacetime magma.

    Directory of Open Access Journals (Sweden)

    Fred Greensite

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

  6. Special relativity derived from spacetime magma.

    Science.gov (United States)

    Greensite, Fred

    2014-01-01

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

  7. Derivation of Mayer Series from Canonical Ensemble

    International Nuclear Information System (INIS)

    Wang Xian-Zhi

    2016-01-01

    Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid (X.Z. Wang, Phys. Rev. E 66 (2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula. (paper)

  8. Derivation of Mayer Series from Canonical Ensemble

    Science.gov (United States)

    Wang, Xian-Zhi

    2016-02-01

    Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid (X.Z. Wang, Phys. Rev. E 66 (2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula.

  9. Elevation Derivatives for Mojave Desert Tortoise Habitat

    Science.gov (United States)

    Wallace, Cynthia S.A.; Gass, Leila

    2008-01-01

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

  10. Deriving High-Precision Radial Velocities

    Science.gov (United States)

    Figueira, Pedro

    This chapter describes briefly the key aspects behind the derivation of precise radial velocities. I start by defining radial velocity precision in the context of astrophysics in general and exoplanet searches in particular. Next I discuss the different basic elements that constitute a spectrograph, and how these elements and overall technical choices impact on the derived radial velocity precision. Then I go on to discuss the different wavelength calibration and radial velocity calculation techniques, and how these are intimately related to the spectrograph's properties. I conclude by presenting some interesting examples of planets detected through radial velocity, and some of the new-generation instruments that will push the precision limit further.

  11. Derivation of Darcy's Law using Homogenization Method

    OpenAIRE

    Kannanut Chamsri

    2013-01-01

    Darcy’s Law is a well-known constitutive equation describing the flow of a fluid through a porous medium. The equation shows a relationship between the superficial or Darcy velocity and the pressure gradient which was first experimentally observed by Henry Darcy in 1855-1856. In this study, we apply homogenization method to Stokes equation in order to derive Darcy’s Law. The process of deriving the equation is complicated, especially in multidimensional domain. Thus, for the sake of simplicit...

  12. Quantum mechanics of 4-derivative theories

    CERN Document Server

    Salvio, Alberto

    2016-01-01

    A renormalizable theory of gravity is obtained if the dimension-less 4-derivative kinetic term of the graviton, which classically suffers from negative unbounded energy, admits a sensible quantisation. We find that a 4-derivative degree of freedom involves a canonical coordinate with unusual time-inversion parity, and that a correspondingly unusual representation must be employed for the relative quantum operator. The resulting theory has positive energy eigenvalues, normalisable wave functions, unitary evolution in a negative-norm configuration space. We present a formalism for quantum mechanics with a generic norm.

  13. Geometric derivation of the quantum speed limit

    International Nuclear Information System (INIS)

    Jones, Philip J.; Kok, Pieter

    2010-01-01

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

  14. Scale up of proteoliposome derived Cochleate production.

    Science.gov (United States)

    Zayas, Caridad; Bracho, Gustavo; Lastre, Miriam; González, Domingo; Gil, Danay; Acevedo, Reinaldo; del Campo, Judith; Taboada, Carlos; Solís, Rosa L; Barberá, Ramón; Pérez, Oliver

    2006-04-12

    Cochleate are highly stable structures with promising immunological features. Cochleate structures are usually obtaining from commercial lipids. Proteoliposome derived Cochleate are derived from an outer membrane vesicles of Neisseria meningitidis B. Previously, we obtained Cochleates using dialysis procedures. In order to increase the production process, we used a crossflow system (CFS) that allows easy scale up to obtain large batches in an aseptic environment. The raw material and solutions used in the production process are already approved for human application. This work demonstrates that CFS is very efficient process to obtain Cochleate structures with a yield of more than 80% and the immunogenicity comparable to that obtained by dialysis membrane.

  15. Electronic absorption spectra of antiviral aminophenol derivatives

    Science.gov (United States)

    Belkov, M. V.; Ksendzova, G. A.; Raichyonok, T. F.; Skornyakov, I. V.; Sorokin, V. L.; Tolstorozhev, G. B.; Shadyro, O. I.

    2011-03-01

    Electronic absorption spectra of aminophenol derivatives in solutions have been studied. A general property of the absorption spectra of these compounds, the dependence of the maximum of a long-wavelength absorption band on the solvent polarity, is revealed. As a rule, the absorption band maximum of compounds possessing pharmacological properties shows a greater shift to short wavelength with an increase in the medium polarity than that of inactive compounds. Absorption measurements of solutions of aminophenol derivatives can be used for a tentative estimation of their antiviral activity.

  16. Structure-activity relationships of bumetanide derivatives

    DEFF Research Database (Denmark)

    Pedersen, Kasper Lykke; Töllner, Kathrin; Römermann, Kerstin

    2015-01-01

    , the effect of a series of diuretically active bumetanide derivatives was investigated on human NKCC2 variant A (hNKCC2A) expressed in Xenopus laevis oocytes. KEY RESULTS: Bumetanide blocked hNKCC2A transport with an IC50 of 4 μM. There was good correlation between the diuretic potency of bumetanide and its...... derivatives in dogs and their inhibition of hNKCC2A (r(2) = 0.817; P ... of the structural requirements that determine relative potency of loop diuretics on human NKCC2 splice variants, and may lead to the discovery of novel high-ceiling diuretics....

  17. New coumarin derivatives as carbonic anhydrase inhibitors.

    Science.gov (United States)

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

    2014-06-01

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

  18. 76 FR 3697 - Risk Management Requirements for Derivatives Clearing Organizations

    Science.gov (United States)

    2011-01-20

    ... Derivatives Clearing Organizations; Proposed Rule #0;#0;Federal Register / Vol. 76 , No. 13 / Thursday... RIN 3038-AC98 Risk Management Requirements for Derivatives Clearing Organizations AGENCY: Commodity... regulatory standards for compliance with derivatives clearing organization (DCO) Core Principles C...

  19. 18 CFR 367.2440 - Account 244, Derivative instrument liabilities.

    Science.gov (United States)

    2010-04-01

    ..., Derivative instrument liabilities. This account must include the change in the fair value of all derivative instrument liabilities not designated as cash flow or fair value hedges. Account 426.5, Other deductions... the fair value of the derivative instrument. ...

  20. Recurrence relations for the Cartesian derivatives of the Zernike polynomials.

    Science.gov (United States)

    Stephenson, Philip C L

    2014-04-01

    A recurrence relation for the first-order Cartesian derivatives of the Zernike polynomials is derived. This relation is used with the Clenshaw method to determine an efficient method for calculating the derivatives of any linear series of Zernike polynomials.

  1. Effects of oxyresveratrol and its derivatives on cultured P19-derived ...

    African Journals Online (AJOL)

    Purpose: To modify the structure of oxyresveratrol and evaluate the obtained derivatives for effects on neuronal cells. Methods: Electron-withdrawing groups were selectively introduced to the aromatic ring of the core stilbene structure. Oxyresveratrol and derivatives were then evaluated for their ability to enhance the ...

  2. A class of constitutive relations with internal variable derivatives. Derivation from homogenization and initial value problem

    International Nuclear Information System (INIS)

    Andrieux, S.; Joussemet, M.; Lorentz, E.

    1996-01-01

    A general framework for deriving and using a class of constitutive laws incorporating spatial gradients of internal variables is presented. It uses two basic ingredients: a derivation of such models by homogenization techniques and a reformulation of the evolution equation at the scale of the whole structure. (orig.)

  3. Cretan Hydronyms Derived from Settlement Names

    Directory of Open Access Journals (Sweden)

    Elwira Kaczyńska

    2017-03-01

    Full Text Available The paper discusses 284 Cretan river names, presumably derived from settlement names. This group of hydronyms represents 6.1% among all the modern hydronyms of the island (4 666 names collected by the author from written sources and, at a lesser degree, during fieldwork, its biggest part being attested only from the 20th century. The names studied in this paper were formed either by metonymic transfer of settlement names to bodies of water (134 units or by morphological derivation (suffixation and, in some cases, regressive derivation (150 units. To establish the direction of derivation, the author analyses the semantic features of the names and the chronology of their attestation in written sources. As to the morphological structure of the analyzed river names, the author distinguishes 85 simple names (29.9%, 128 compound names (45.1% and 71 elliptical ones (25%. This enables a structural analysis of the differentiating elements in the compound names and in the elliptical names formed by omitting a hydrograhical term. The morphological structure of some hydronyms allows to retrieve valuable information on lost or decayed settlements of Crete. The author also shows that some items demonstrate the onomastic contuinity in the island from antiquity to the present day.

  4. Biological activities of substituted trichostatic acid derivatives

    Indian Academy of Sciences (India)

    New substituted trichostatic acid derivatives have been synthesized and evaluated for their biological activities towards the H661 non-small lung cancer cell line. These syntheses were achieved by alkylation of propiophenones to introduce the side chain with a terminal precursor of hydroxamic acid and aminobenzamide ...

  5. Formal Derivation of Concurrent Garbage Collectors

    NARCIS (Netherlands)

    Pavlovic, Dusko; Pepper, Peter; Smith, Douglas R.

    Concurrent garbage collectors are notoriously difficult to implement correctly. Previous approaches to the issue of producing correct collectors have mainly been based on posit-and-prove verification or on the application of domain-specific templates and transformations. We show how to derive the

  6. synthesis and characterization of novel sulfonamides derivatives ...

    African Journals Online (AJOL)

    Newer sulfonamides and their derivatives has obtained great attention in pharmaceutical field in order to compete life threatening issues caused by drug resistant strains of bacteria, i.e. Methicillin resistance as they have unusual ability of acclimatization against stress caused by antibiotics [12]. Disease causing organisms ...

  7. Derived Transformation of Children's Pregambling Game Playing

    Science.gov (United States)

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

    2010-01-01

    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…

  8. Structural features of bionanocomposite derived from novel ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 36; Issue 2. Structural features of bionanocomposite derived from novel designed poly(ester-imide) based on natural amino acids with hydroxyl segments tailored for better dispersion of TiO2 nanofiller. Shadpour Mallakpour Parvin Asadi. Volume 36 Issue 2 April 2013 ...

  9. Inequalities for a Polynomial and its Derivative

    Indian Academy of Sciences (India)

    Annual Meetings · Mid Year Meetings · Discussion Meetings · Public Lectures · Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Proceedings – Mathematical Sciences; Volume 110; Issue 2. Inequalities for a Polynomial and its Derivative. V K Jain. Volume 110 Issue 2 May 2000 pp 137- ...

  10. Hamiltonian path integral formalism with higher derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Barcelos-Neto, J.; Natividade, C.P. (Rio de Janeiro Univ. (Brazil). Inst. de Fisica)

    1991-07-01

    We study the Hamiltonian path integral formalism for systems containing higher derivatives. First we show the consistency of the formalism in applications involving only scalar fields. Later we use the Maxwell electromagnetic theory with a higher order regularization term to show that the Batalin-Fradkin-Vilkovisky (BFV) theory can also be consistently described. (orig.).

  11. Characterization of sugar beet pulp derived oligosaccharides

    NARCIS (Netherlands)

    Leijdekkers, M.

    2015-01-01

    Abstract This thesis aimed at characterizing complex mixtures of sugar beet pulp derived oligosaccharides, in order to be able to monitor and optimize the enzymatic saccharification of sugar beet pulp. Hydrophilic interaction chromatography with on-line evaporative light scattering

  12. Derivation of Stochastic Equations for Computational Uncertainties ...

    African Journals Online (AJOL)

    ADOWIE PERE

    physical parameters using the relative standard deviations techniques (σ). These equations also known as ... define the maximum level of uncertainty that can be tolerated in any independent variable if the maximum uncertainty to be ... standard deviations, partial derivatives, degree of accuracy, empirical models. LIST OF ...

  13. Biodegradable polymers derived from amino acids.

    Science.gov (United States)

    Khan, Wahid; Muthupandian, Saravanan; Farah, Shady; Kumar, Neeraj; Domb, Abraham J

    2011-12-08

    In the past three decades, the use of polymeric materials has increased dramatically for biomedical applications. Many α-amino acids derived biodegradable polymers have also been intensely developed with the main goal to obtain bio-mimicking functional biomaterials. Polymers derived from α-amino acids may offer many advantages, as these polymers: (a) can be modified further to introduce new functions such as imaging, molecular targeting and drugs can be conjugated chemically to these polymers, (b) can improve on better biological properties like cell migration, adhesion and biodegradability, (c) can improve on mechanical and thermal properties and (d) their degradation products are expected to be non-toxic and readily metabolized/excreted from the body. This manuscript focuses on biodegradable polymers derived from natural amino acids, their synthesis, biocompatibility and biomedical applications. It is observed that polymers derived from α-amino acids constitute a promising family of biodegradable materials. These provide innovative multifunctional polymers possessing amino acid side groups with biological activity and with innumerous potential applications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Novel hydroquinone derivatives alleviate algesia, inflammation and ...

    African Journals Online (AJOL)

    The in silico studies predicted high binding affinity of the hydroquinone derivatives to the active site of the cyclooxygenase 2 (COX-2) enzyme. Conclusion: The synthesized hydroquinone compounds possess analgesic, antipyretic and antiinflammatory properties with low gastric-ulcerogenic potential. This may be credited to ...

  15. Synthesis of Trishomocubane Amino Acid Derivatives | Govender ...

    African Journals Online (AJOL)

    The synthesis of four novel trishomocubane amino acid derivatives is described. The hydantoin precursor and bis-Boc protected hydantoin (>95% yield) were previously reported. A mild hydrolysis of the bis-Boc hydantoin with lithium hydroxide at room temperature quantitatively yielded the corresponding novel cage amino ...

  16. Glycosylation of a Newly Functionalized Orthoester Derivative

    Directory of Open Access Journals (Sweden)

    Kohei Kawa

    2014-02-01

    Full Text Available Tandem glycosylation of the 6-O-Fmoc-substituted benzyl orthoester derivative 2a was carried out in moderate yields by electrogenerated acid (EGA. The Fmoc group was effectively removed under mild basic conditions, and the product was submitted to the subsequent glycosylation.

  17. Particle production in higher derivative theory

    Indian Academy of Sciences (India)

    Abstract. The effect of particle production on the evolution of the spatially flat Friedmann–. Lemaitre–Robertson–Walker cosmological model during the early stages of the universe is analysed in the framework of higher derivative theory. The universe has been considered as an open thermo- dynamic system where particle ...

  18. Microscopic Derivation of Ginzburg-Landau Theory

    DEFF Research Database (Denmark)

    Frank, Rupert; Hainzl, Christian; Seiringer, Robert

    2012-01-01

    We give the first rigorous derivation of the celebrated Ginzburg-Landau (GL) theory, starting from the microscopic Bardeen-Cooper-Schrieffer (BCS) model. Close to the critical temperature, GL arises as an effective theory on the macroscopic scale. The relevant scaling limit is semiclassical...

  19. Pharmacological characterization of tachykinin tetrabranched derivatives.

    Science.gov (United States)

    Ruzza, Chiara; Rizzi, Anna; Malfacini, Davide; Cerlesi, Maria Camilla; Ferrari, Federica; Marzola, Erika; Ambrosio, Caterina; Gro, Cristina; Severo, Salvadori; Costa, Tommaso; Calo, Girolamo; Guerrini, Remo

    2014-09-01

    Peptide welding technology (PWT) is a novel chemical strategy that allows the synthesis of multibranched peptides with high yield, purity and reproducibility. Using this technique, we have synthesized and pharmacologically characterized the tetrabranched derivatives of the tachykinins, substance P (SP), neurokinin A (NKA) and B (NKB). The following in vitro assays were used: calcium mobilization in cells expressing human recombinant NK receptors, BRET studies of G-protein - NK1 receptor interaction, guinea pig ileum and rat urinary bladder bioassays. Nociceptive behavioural response experiments were performed in mice following intrathecal injection of PWT2-SP. In calcium mobilization studies, PWT tachykinin derivatives behaved as full agonists at NK receptors with a selectivity profile similar to that of the natural peptides. NK receptor antagonists display similar potency values when tested against PWT2 derivatives and natural peptides. In BRET and bioassay experiments PWT2-SP mimicked the effects of SP with similar potency, maximal effects and sensitivity to aprepitant. After intrathecal administration in mice, PWT2-SP mimicked the nociceptive effects of SP, but with higher potency and a longer-lasting action. Aprepitant counteracted the effects of PWT2-SP in vivo. The present study has shown that the PWT technology can be successfully applied to the peptide sequence of tachykinins to generate tetrabranched derivatives characterized with a pharmacological profile similar to the native peptides. In vivo, PWT2-SP displayed higher potency and a marked prolongation of action, compared with SP. © 2014 The British Pharmacological Society.

  20. Deriving force field parameters for coordination complexes

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Brandt, Peter

    2001-01-01

    The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters...

  1. Nanomaterials derived from metal-organic frameworks

    Science.gov (United States)

    Dang, Song; Zhu, Qi-Long; Xu, Qiang

    2018-01-01

    The thermal transformation of metal-organic frameworks (MOFs) generates a variety of nanostructured materials, including carbon-based materials, metal oxides, metal chalcogenides, metal phosphides and metal carbides. These derivatives of MOFs have characteristics such as high surface areas, permanent porosities and controllable functionalities that enable their good performance in sensing, gas storage, catalysis and energy-related applications. Although progress has been made to tune the morphologies of MOF-derived structures at the nanometre scale, it remains crucial to further our knowledge of the relationship between morphology and performance. In this Review, we summarize the synthetic strategies and optimized methods that enable control over the size, morphology, composition and structure of the derived nanomaterials. In addition, we compare the performance of materials prepared by the MOF-templated strategy and other synthetic methods. Our aim is to reveal the relationship between the morphology and the physico-chemical properties of MOF-derived nanostructures to optimize their performance for applications such as sensing, catalysis, and energy storage and conversion.

  2. reaction-diffusion system with fractional derivatives

    Directory of Open Access Journals (Sweden)

    Kamel Haouam

    2006-01-01

    Full Text Available We give some necessary conditions for local and global existence of a solution to reaction-diffusion system of type (FDS with temporal and spacial fractional derivatives. As in the case of single equation of type (STFE studied by M. Kirane et al. (2005, we prove that these conditions depend on the behavior of initial conditions for large |x|.

  3. Characterization of sugar beet pulp derived oligosaccharides

    NARCIS (Netherlands)

    Leijdekkers, M.

    2015-01-01

    Abstract

    This thesis aimed at characterizing complex mixtures of sugar beet pulp derived oligosaccharides, in order to be able to monitor and optimize the enzymatic saccharification of sugar beet pulp.

    Hydrophilic interaction chromatography with on-line evaporative

  4. arene derivatives containing multiple aromatic groups

    Indian Academy of Sciences (India)

    ... two novel thiacalix[4]arene derivatives containing multiple aromatic groups in yields of 86% and 90%. Their complexation properties for four organic dyes were investigated by liquid-liquid extraction experiments, complexation UV-Vis spectra and mass spectrum. The highest extraction percentage was 97% for Neutral red.

  5. Derivation of Stochastic Equations for Computational Uncertainties ...

    African Journals Online (AJOL)

    This paper presents a simple mathematical algorithm or procedure for computing the uncertainties at the various percent of data input, using the stochastic approach of simulating the input variables to compute the output variables. A simple algorithm was used to derive stochastic equations for some selected petrophysical ...

  6. Resveratrol derivatives: a patent review (2009 - 2012).

    Science.gov (United States)

    Pezzuto, John M; Kondratyuk, Tamara P; Ogas, Talysa

    2013-12-01

    There is currently a wealth of information on the effects of resveratrol and its derivatives in therapeutic, cosmetic and nutraceutical patent applications. Structure-activity studies of the resveratrol scaffold provide a foundation for the development of new analogs with potent activity or other beneficial properties. Ongoing research has yielded promising results and potential use in the treatment of various diseases. This review provides analysis of patents published from January 2009 to April 2013. There is a focus on different approaches for the production of resveratrol derivatives, combinations of new derivatives with old drugs, and applications in therapeutic areas, nutraceutical compositions and cosmetics. The ability of resveratrol to interact with a disparate array of subcellular targets is uncanny. Nonetheless, even though limited or no toxicity is apparent, the molecule is not a panacea due to lack of potency and issues with bioavailability. Thus, as witnessed by a number of patents, a large assortment of derivatives have been synthesized under the guise of having superior characteristics for treating or preventing various diseases or for use as neutraceutics and cosmetics. Some of these suppositions are probably correct, but evidence-based applications are essentially nil due to a lack of commitment in terms of investing the resources necessary for the conduct of obligatory clinical trials. Current usage is largely based on anecdotes and publicity. Hopefully, at some point in time, it will be possible to follow a standard protocol with a predicable outcome.

  7. Waste-wood-derived fillers for plastics

    Science.gov (United States)

    Brent English; Craig M. Clemons; Nicole Stark; James P. Schneider

    1996-01-01

    Filled thermoplastic composites are stiffer, stronger, and more dimensionally stable than their unfilled counterparts. Such thermoplastics are usually provided to the end-user as a precompounded, pelletized feedstock. Typical reinforcing fillers are inorganic materials like talc or fiberglass, but materials derived from waste wood, such as wood flour and recycled paper...

  8. Enabling quaternion derivatives: the generalized HR calculus.

    Science.gov (United States)

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

    2015-08-01

    Quaternion derivatives exist only for a very restricted class of analytic (regular) functions; however, in many applications, functions of interest are real-valued and hence not analytic, a typical case being the standard real mean square error objective function. The recent HR calculus is a step forward and provides a way to calculate derivatives and gradients of both analytic and non-analytic functions of quaternion variables; however, the HR calculus can become cumbersome in complex optimization problems due to the lack of rigorous product and chain rules, a consequence of the non-commutativity of quaternion algebra. To address this issue, we introduce the generalized HR (GHR) derivatives which employ quaternion rotations in a general orthogonal system and provide the left- and right-hand versions of the quaternion derivative of general functions. The GHR calculus also solves the long-standing problems of product and chain rules, mean-value theorem and Taylor's theorem in the quaternion field. At the core of the proposed GHR calculus is quaternion rotation, which makes it possible to extend the principle to other functional calculi in non-commutative settings. Examples in statistical learning theory and adaptive signal processing support the analysis.

  9. Temperature stochastic modeling and weather derivatives pricing ...

    African Journals Online (AJOL)

    ... over a sufficient period to apply a stochastic process that describes the evolution of the temperature. A numerical example of a swap contract pricing is presented, using an approximation formula as well as Monte Carlo simulations. Keywords: Weather derivatives, temperature stochastic model, Monte Carlo simulation.

  10. Immunochemical analysis of apamin and its derivatives

    International Nuclear Information System (INIS)

    Vasilenko, S.V.; Kolesnikova, I.N.; Miroshnikov, A.I.; Komissarenko, S.V.

    1981-01-01

    The radioimmunologic analysis of apamin (neurotoxin of the venom of Apis mellifica honey bee) is carried out using its derivatives which have modifications of various aminoacidic remnants and antibodies against apamin. The curves of 125 J apamin binding with antiserum against apamin and the curves of inhibition with various nonlabelled binding effectors of 125 J-apamin with antiserum are obtained

  11. quinoxaline dyes derived from Anthraquinone f

    Indian Academy of Sciences (India)

    chemsci

    to increase the solubility of the target molecules and later, the 5–methylated isatin derivatives were reacted with 1,2- diaminoathraquinone in acetic acid for 1–2h to produce the desired cyclocondensed product. The five target com- pounds were obtained in good yield (72–78%) as deep red solids. The identity and purity of ...

  12. Undesired Plant-Derived Components in Food

    NARCIS (Netherlands)

    Dusemund, Birgit; Rietjens, Ivonne M.C.M.; Abraham, Klaus; Cartus, Alexander; Schrenk, Dieter

    2017-01-01

    Among the various chemical compounds, the class of natural plant-derived substances in the modern food chain is generating increasing concern. Adverse effects encountered may be various and pose risks of acute, subchronic, or chronic toxicity. The underlying mechanisms of toxicity may be

  13. Nitration of Thiacalix[4]arene Derivatives

    Czech Academy of Sciences Publication Activity Database

    Lhoták, P.; Svoboda, J.; Stibor, I.; Sýkora, Jan

    2002-01-01

    Roč. 43, č. 41 (2002), s. 7413-7417 ISSN 0040-4039 R&D Projects: GA ČR GA104/00/1722 Keywords : derivatives * nitation of thiacalix[4]arene Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.357, year: 2002

  14. Orchard navigation using derivative free Kalman filtering

    DEFF Research Database (Denmark)

    Hansen, Søren; Bayramoglu, Enis; Andersen, Jens Christian

    2011-01-01

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

  15. Ineffective higher derivative black hole hair

    Science.gov (United States)

    Goldstein, Kevin; Mashiyane, James Junior

    2018-01-01

    Inspired by the possibility that the Schwarzschild black hole may not be the unique spherically symmetric vacuum solution to generalizations of general relativity, we consider black holes in pure fourth order higher derivative gravity treated as an effective theory. Such solutions may be of interest in addressing the issue of higher derivative hair or during the later stages of black hole evaporation. Non-Schwarzschild solutions have been studied but we have put earlier results on a firmer footing by finding a systematic asymptotic expansion for the black holes and matching them with known numerical solutions obtained by integrating out from the near-horizon region. These asymptotic expansions can be cast in the form of trans-series expansions which we conjecture will be a generic feature of non-Schwarzschild higher derivative black holes. Excitingly we find a new branch of solutions with lower free energy than the Schwarzschild solution, but as found in earlier work, solutions only seem to exist for black holes with large curvatures, meaning that one should not generically neglect even higher derivative corrections. This suggests that one effectively recovers the nonhair theorems in this context.

  16. Methodology for deriving optimal exploration target zones

    CSIR Research Space (South Africa)

    Debba, Pravesh

    2010-03-01

    Full Text Available This research describes a quantitive methodology for deriving optimal exploration target zones based on a probalistic mineral prospectivity map.The Rodalquilar mineral district is located in the Sierra del Cabo de Gata volcanic field, in the south...

  17. MEAN OF MEDIAN ABSOLUTE DERIVATION TECHNIQUE MEAN ...

    African Journals Online (AJOL)

    eobe

    The accurate estimation of noise variance in an image is the first important stage ... lung image was lung image was developed. developed. developed. The development of mean of median absolute derivation technique development of mean of median absolute .... that are non-real numbers during initial processing.

  18. Deriving Process Congruences from Reaction Rules

    DEFF Research Database (Denmark)

    Sobocinski, Pawel

    This thesis is concerned with the development of a theory which, given a formalism with a reduction semantics, allows the derivation of a canonical labelled transition system on which bisimilarity as well as other other equiv� alences are congruences; provided that the contexts of the formalism f...

  19. Econometric Analysis of Financial Derivatives : An overview

    NARCIS (Netherlands)

    C-L. Chang (Chia-Lin); M.J. McAleer (Michael)

    2014-01-01

    markdownabstract__Abstract__ One of the fastest growing areas in empirical finance, and also one of the least rigorously analyzed, especially from a financial econometrics perspective, is the econometric analysis of financial derivatives, which are typically complicated and difficult to analyze.

  20. Econometric Analysis of Financial Derivatives: An Overview

    NARCIS (Netherlands)

    C-L. Chang (Chia-Lin); M.J. McAleer (Michael)

    2014-01-01

    markdownabstract__Abstract__ One of the fastest growing areas in empirical finance, and also one of the least rigorously analyzed, especially from a financial econometrics perspective, is the econometric analysis of financial derivatives, which are typically complicated and difficult to analyze.