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Sample records for benzoyl naphthyl hydrazone

  1. Organotin(IV) complexes with 2-acetylpyridine benzoyl hydrazones: antimicrobial activity

    Energy Technology Data Exchange (ETDEWEB)

    Despaigne, Angel A.R.; Vieira, Lorena F.; Mendes, Isolda C.; Costa, Fernanda B. da; Beraldo, Heloisa, E-mail: hberaldo@ufmg.b [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Quimica; Speziali, Nivaldo L. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Fisica

    2010-07-01

    Reaction of n-butyltin trichloride, [Bu{sup n}SnCl{sub 3}], and phenyltin trichloride, [PhSnCl{sub 3}], with 2-acetylpyridine benzoyl hydrazone (H2AcPh), 2-acetylpyridine para-chloro-benzoyl hydrazone (H2AcpClPh) and 2-acetylpyridine para-nitro-benzoyl hydrazone (H2AcpNO{sub 2}Ph) gave [Bu{sup n}Sn(2AcPh)Cl{sub 2}] (1), [Bu{sup n}Sn(2AcpClPh)Cl{sub 2}] (2), [Bu{sup n}Sn(2AcpNO{sub 2}Ph)Cl{sub 2}] (3), [PhSn(2AcPh)Cl{sub 2}] (4), [PhSn(2AcpClPh)Cl{sub 2}] (5) and [PhSn(2AcpNO{sub 2}Ph)Cl{sub 2}] (6) as products. Among the hydrazones H2AcpClPh proved to be the most active against Staphylococcus aureus and Candida albicans. Upon coordination the antibacterial activity of both tin and the hydrazones significantly increases. Complexes 2 and 5 revealed to be the most active as antimicrobial agents. (author)

  2. Synthesis, characterization and applications of polymer-metal chelates derived from poly[((4-acryloxy acetophenone)-divinylbenzene)] benzoyl hydrazone resins

    Indian Academy of Sciences (India)

    Thammisetty Ravi Sankar; K Kesavulu; Peddakotla Venkata Ramana

    2014-05-01

    4-Acryloxy acetophenone was prepared and subjected to suspension polymerization with divinylbenzene as a cross-linking agent. The resulting network polymer was ligated with benzoyl hydrazone. The functional polymer was treated with metal ions [Cu(II), Fe(II)]. The polymer-metal complexes obtained were characterized by elemental analysis, IR, 1H-NMR, solid state 13C cross-polarization magic-angle spinning (CP/MAS) NMR, electron paramagnetic resonance (EPR), thermogravimetric and scanning electron microscopy (SEM) studies. The maximum uptake efficiency for the metal ions was determined. The reusability of the polymer ligand was tested and it was shown that even after four cycles, the efficiency of the uptake was not altered.

  3. 糠醛苯甲酰腙的合成及生物活性研究%Synthesis and Bioactivities of Furfural Benzoyl Hydrazone

    Institute of Scientific and Technical Information of China (English)

    李水清; 赵春

    2011-01-01

    Furfural benzoyl hydrazone was synthesized using furfural, methyl benzoate and hydrazine hydrate as and its chemical structure was confirmed by elemental analysis and infrared spectrum. The bioactivities of furfural benzoyl hydrazone a-gainst Pieris rapae larvae was also tested in lab. The results showed that furfural benzoyl hydrazone had strong contact toxici-ty, stomach toxicity and weak antifeeding activity.%以糠醛、苯甲酸甲酯、水合肼为原料,合成了糠醛苯甲酰腙.经元素分析、红外光谱对目标化合物进行了结构表征.研究了糠醛苯甲酰腙对菜粉蝶(Pieris rapae L.)的生物活性,结果表明,糠醛苯甲酰腙对菜粉蝶具有较强的触杀活性和胃毒活性,而拒食作用较弱.

  4. Protonation constant of salicylidene (N-benzoyl)glycyl hydrazone and its coordination behaviour towards some bivalent metal ions

    Indian Academy of Sciences (India)

    R K Lonibala; T R Rao; R K Babita Devia

    2006-07-01

    Protonation constant of an unsymmetrical Schiff base, salicylidene(N-benzoyl)glycyl hydrazone (SalBzGH), and formation constants of its complexes have been determined potentiometrically at different temperatures in aqueous dioxane medium. Complexes of SalBzGH with VO(IV), Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) have been prepared. Elemental analyses, pH-metric, molar conductance, magnetic susceptibility, electronic, IR, ESR, XRD (powder) and NMR studies have been carried out to study the coordination behaviour of SalBzGH toward these metal ions. pH-metric and 1H NMR studies show the presence of two dissociable protons in the ligand. IR and NMR spectra suggest the tridentate nature of the ligand, coordinating as a uninegative species in the Mn(II) complex and as a dinegative species in all the other complexes. Presence of two different conformers of the ligand at room temperature and stabilization of a single conformer upon complex formation have been established from 1H NMR spectra of the metal-free ligand, Zn(II) and Hg(II) complexes recorded at 296 K. Electronic and ESR spectra indicate highly distorted tetragonal geometry for VO(IV) and Cu(II) complexes. XRD powder patterns of the Zn(II) complexes are indexed for an orthorhombic crystal system.

  5. A Simple Spectrophotometric Method for the Determination of Copper in Some Real, Environmental, Biological, Food and Soil Samples Using Salicylaldehyde Benzoyl Hydrazone

    Directory of Open Access Journals (Sweden)

    M. Jamaluddin Ahmed

    2012-06-01

    Full Text Available A very simple, ultra-sensitive, highly selective and non-extractive spectrophotometric method for the determination of trace amounts copper(II has been developed. Salicylaldehy debenzoyl hydrazone (SAL-BH has been proposed as a new analytical reagent for the direct non-extractive spectrophotometric determination of copper(II. SAL-BH reacts with copper in a slightly acidic (0.0001-0.005 M H2SO4 in 40% 1,4-dioxane media with copper(II to give a highly absorbent greenish yellow chelate with a molar ratio 1:1(CuII: SAL-BH The reaction is instantaneous and the maximum absorption was obtained at 404 nm and remains stable for 72 h. The average molar absorptivity and Sandell’s sensitivity were found to be 1.4×105 L mol-1 cm-1 and 5.0 ng cm-2 of copper(II, respectively. Linear calibration graphs were obtained for 0.01 – 18 mg L-1 of CuII. The detection limit and quantification limit of the reaction system were found to be 1 ng mL-1 and 10 µg L-1, respectively. A large excess of over 50 cations, anions and complexing agents (e.g., tartrate, oxalate, citrate, phosphate, thiocyanate etc. do not interfere in the determination. The method is highly selective for copper and was successfully used for the determination of copper in several standard reference materials (steels and alloys as well as in some environmental waters (portable and polluted, biological (human blood and urine, food and soil samples and solutions containing both copper(I and copper(II as well as some complex synthetic mixtures. The results of the proposed method for biological and food samples were comparable with AAS and were found to be in good agreement. The method has high precision and accuracy (s = ± 0.01 for 0.5 mg L-1.

  6. A simple spectrophotometric method for the determination of copper in some real, environmental, biological, food and soil samples using salicylaldehyde benzoyl hydrazone

    International Nuclear Information System (INIS)

    A very simple, ultra-sensitive, highly selective and non-extractive spectrophotometric method for the determination of trace amounts copper (II) has been developed. Salicylaldehyde debenzoyl hydrazone (SAL-BH) has been proposed as a new analytical reagent for the direct non-extractive spectrophotometric determination of copper (II). SAL-BH reacts with copper in a slightly acidic (0.0001-0.005 M H/sub 2/SO/sub 4/) in 40% 1,4-dioxane media with copper(lI) to give a highly absorbent greenish yellow chelate with a molar ratio 1:1(CuII: SAL-BH) The reaction is instantaneous and the maximum absorption was obtained at 404 nffi and remains stable for 72 h. The average molar absorptivity and Sandell's sensitivity were found to be 1.4x105 L mol-I cm/sup -1/ and 5.0 ng cm-2 of copper (II), respectively. Linear calibration graphs were obtained for 0.01 -18 mg L-1 of C/sup 11/. The detection limit and quantification limit of the reaction system were found to be 1 ng mL/sup -1/ and 10 micro.g L/sup -1/, respectively. A large excess of over 50 cations, anions and complexing agents (e.g., tartrate, oxalate, citrate, phosphate, thiocyanate etc.) do not interfere in the determination. The method is highly selective for copper and was successfully used for the determination of copper in several standard reference materials (steels and alloys) as well as in some environmental waters (portable and polluted), biological (human blood and urine), food and soil samples and solutions containing both copper (I) and copper( II) as well as some complex synthetic mixtures. The results of the proposed method for biological and food samples were comparable with AAS and were found to be in good agreement. The method has high precision and accuracy (s = t 0.01 for 0.5 mgL/sup -1/). (author)

  7. 查耳酮-2-羟基苯甲酰腙的超声波合成与热稳定性%Ultrasonic synthesis and thermal stability of chalcone-2-hydroxy benzoyl hydrazone

    Institute of Scientific and Technical Information of China (English)

    王燕燕; 郑长征; 王亮

    2015-01-01

    A compound of chalcone‐2‐hydroxybenzoyl hydrazone was ultrasonic synthesized through the condensation of chalcone and 2‐hydroxybenzoyl hydrazine ,and the effects of the reaction time ,the amount of solvent ,the temperature and the material ratio on the yield were discussed .Results show that under the condition of ultrasonic , the reaction time of 4. 5h , 10mL of the volume of solvent ,temperature of 75℃ and material ratio of 1∶1.2 is more ap‐propriate .The compound was characterized by elemental analysis ,infrared spectroscopy and 1 H NMR .The thermogravimetric analysis shows that the compound is stable below 190.98℃ .%以查耳酮和2‐羟基苯甲酰肼为原料,采用超声波合成查耳酮‐2‐羟基苯甲酰腙,研究反应时间、溶剂量、温度和摩尔比对收率的影响.结果表明,在超声波条件下,反应时间4.5h ,溶剂量10mL ,温度75℃和摩尔比1∶1.2较为适宜.通过元素分析、红外光谱和核磁共振氢谱对其结构进行了表征.热重分析表明标题化合物处于190.98℃以下时较为稳定.

  8. Hydrolyses of alpha-naphthyl acetate, beta-naphthyl acetate, and acetyl-DL-phenylalanine beta-naphthyl ester

    DEFF Research Database (Denmark)

    Kirkeby, S; Moe, D

    1983-01-01

    Using simultaneous coupling azo dye techniques kidney enzymes active against alpha-naphthyl acetate, beta-naphthyl acetate, and acetyl-DL-phenylalanine beta-naphthyl ester are characterized. The enzymes show identical distribution in the section. The banding patterns in zymograms are the same after...

  9. Clindamycin and Benzoyl Peroxide Topical

    Science.gov (United States)

    ... benzoyl peroxide works by killing the bacteria that cause acne. ... E-Mycin, Erythrocin) and other topical medications for acne. Your doctor ... colitis (a condition which causes swelling and sores in the lining of the ...

  10. Compound list: naphthyl isothiocyanate [Open TG-GATEs

    Lifescience Database Archive (English)

    Full Text Available naphthyl isothiocyanate ANIT 00009 ftp://ftp.biosciencedbc.jp/archive/open-tggates/...LATEST/Human/in_vitro/naphthyl_isothiocyanate.Human.in_vitro.Liver.zip ftp://ftp.biosciencedbc.jp/archive/op...en-tggates/LATEST/Rat/in_vitro/naphthyl_isothiocyanate.Rat.in_vitro.Liver.zip ftp://ftp.biosciencedbc.jp/arc...hive/open-tggates/LATEST/Rat/in_vivo/Liver/Single/naphthyl_isothiocyanate.Rat.in_...vivo.Liver.Single.zip ftp://ftp.biosciencedbc.jp/archive/open-tggates/LATEST/Rat/in_vivo/Liver/Repeat/naphthyl_isothiocyanate.Rat.in_vivo.Liver.Repeat.zip ...

  11. Ground state of naphthyl cation: Singlet or triplet?

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, Achintya Kumar; Vaval, Nayana, E-mail: np.vaval@ncl.res.in; Pal, Sourav, E-mail: s.pal@ncl.res.in [Physical Chemistry Division, CSIR-National Chemical Laboratory, Pune 411008 (India); Manohar, Prashant U. [Department of Chemistry, BITS Pilani, Pilani Campus (India)

    2014-03-21

    We present a benchmark theoretical investigation on the electronic structure and singlet-triplet(S-T) gap of 1- and 2-naphthyl cations using the CCSD(T) method. Our calculations reveal that the ground states of both the naphthyl cations are singlet, contrary to the results obtained by DFT/B3LYP calculations reported in previous theoretical studies. However, the triplet states obtained in the two structural isomers of naphthyl cation are completely different. The triplet state in 1-naphthyl cation is (π,σ) type, whereas in 2-naphthyl cation it is (σ,σ{sup ′}) type. The S-T gaps in naphthyl cations and the relative stability ordering of the singlet and the triplet states are highly sensitive to the basis-set quality as well as level of correlation, and demand for inclusion of perturbative triples in the coupled-cluster ansatz.

  12. Spectrophotometric determination of some metal ions using hydrazones

    International Nuclear Information System (INIS)

    In this research many starting materials were prepared, like methyl salicylate and salicylic acid hydrazide from which different derivatives of hydrazones were synthesized by coupling with carbonyl compounds like benzil monoxime and benzil mono hydrazone which are prepared and others like salicylaldehyde and benzoin. The hydrazones that were synthesized are salicylaldehyde salicylic acid hydrazone, benzoin salicylic acid hydrazone, benzil mono hydrazone salicylic acid hydrazone and benzil monoxime salicylic acid hydrazone. These reagents were determined by different methods, IR spectrophotometric determination, the nitrogen content method and melting point determination. These hydrazones act as ligands for determination of some metal ions by making different coloured complexes that were prepared for eight hydrazones with eight metal ions U (VI), Fe (II), Fe (III), Co (II), V (II), Mo (VI), Ni (II) and Cu (II). These complexes were determined by ultraviolet and visible spectrophotometer (UV/VIS) to detect their absorbance and wavelengths (λ max). The two hydrazones salicylaldehyde salicylic acid-hydrazone and benzoin salicylic acid hydrazone, were selected for determination of five metal ions (Fe (II), Fe (III), U (VI), Ni (II) and Cu (II)), using two micelles sodium n-dodecyl sulphate and pyridinium hexa decyl bromide mono hydrate. Their absorbance and wavelengths were detected using UV/VIS spectrophotometer. (Author)

  13. STUDY OF ANTIVIRAL ACTIVITY OF SOME HYDRAZONE PINOSTROBIN DERIVATIVES

    Directory of Open Access Journals (Sweden)

    G. K. Mukusheva

    2014-01-01

    Full Text Available New derivatives on the basis of hydrazone pinostrobin molecule were synthesized. Significant antiviral activity of received samples of new hydrazone pinstrobin derivatives was identified.

  14. 2-Benzoyl-4-chloroaniline thiosemicarbazone

    Directory of Open Access Journals (Sweden)

    Katlen C. T. Bandeira

    2014-06-01

    Full Text Available In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloroaniline with thiosemicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31 (13°. In the crystal, the molecules are linked by three N—H...S hydrogen bonds, forming centrosymmetric rings with set-graph motif R22(8 and R22(18, and resulting in the formation of a two-dimensional network lying parallel to (010.

  15. Isomerization mechanism in hydrazone-based rotary switches: lateral shift, rotation, or tautomerization?

    Science.gov (United States)

    Landge, Shainaz M; Tkatchouk, Ekatarina; Benítez, Diego; Lanfranchi, Don Antoine; Elhabiri, Mourad; Goddard, William A; Aprahamian, Ivan

    2011-06-29

    Two intramolecularly hydrogen-bonded arylhydrazone (aryl = phenyl or naphthyl) molecular switches have been synthesized, and their full and reversible switching between the E and Z configurations have been demonstrated. These chemically controlled configurational rotary switches exist primarily as the E isomer at equilibrium and can be switched to the protonated Z configuration (Z-H(+)) by the addition of trifluoroacetic acid. The protonation of the pyridine moiety in the switch induces a rotation around the hydrazone C=N double bond, leading to isomerization. Treating Z-H(+) with base (K(2)CO(3)) yields a mixture of E and "metastable" Z isomers. The latter thermally equilibrates to reinstate the initial isomer ratio. The rate of the Z → E isomerization process showed small changes as a function of solvent polarity, indicating that the isomerization might be going through the inversion mechanism (nonpolar transition state). However, the plot of the logarithm of the rate constant k vs the Dimroth parameter (E(T)) gave a linear fit, demonstrating the involvement of a polar transition state (rotation mechanism). These two seemingly contradicting kinetic data were not enough to determine whether the isomerization mechanism goes through the rotation or inversion pathways. The highly negative entropy values obtained for both the forward (E → Z-H(+)) and backward (Z → E) processes strongly suggest that the isomerization involves a polarized transition state that is highly organized (possibly involving a high degree of solvent organization), and hence it proceeds via a rotation mechanism as opposed to inversion. Computations of the Z ↔ E isomerization using density functional theory (DFT) at the M06/cc-pVTZ level and natural bond orbital (NBO) wave function analyses have shown that the favorable isomerization mechanism in these hydrogen-bonded systems is hydrazone-azo tautomerization followed by rotation around a C-N single bond, as opposed to the more common

  16. Halogenated naphthyl methoxy piperidines for mapping serotonin transporter sites

    Science.gov (United States)

    Goodman, M.M.; Faraj, B.

    1999-07-06

    Halogenated naphthyl methoxy piperidines having a strong affinity for the serotonin transporter are disclosed. Those compounds can be labeled with positron-emitting and/or gamma emitting halogen isotopes by a late step synthesis that maximizes the useable lifeterm of the label. The labeled compounds are useful for localizing serotonin transporter sites by positron emission tomography and/or single photon emission computed tomography.

  17. Guieranone A, a naphthyl butenone from the leaves of Guiera senegalensis with antifungal activity.

    Science.gov (United States)

    Silva, Olga; Gomes, Elsa T

    2003-03-01

    A new methoxylated naphthyl butenone, guieranone A (1), was isolated from the leaves of Guiera senegalensis. Its structure was elucidated as (2E)-1-(1,3,6,8-tetramethoxy-2-naphthyl)but-2-en-1-one, on the basis of spectroscopic data. Also isolated were two known naphthopyrones, 5-methyldihydroflavasperone (2) and 5-methylflavasperone (3). Guieranone (1) exhibited potent antifungal activity against Cladosporium cucumerinum and is the first naphthyl ketone derivative to have been isolated from the family Combretaceae. PMID:12662113

  18. Synthesis and Structure Elucidation of Benzoylated Deoxyfluoropyranosides

    OpenAIRE

    Esmurziev, Aslan M.; Simic, Nebojsa; Hoff, Bard Helge; Sundby, Eirik

    2010-01-01

    Benzoylated deoxyfluoropyranosides have been synthesized, starting with protected, unprotected, or fluorinated precursors. Fluorination of eight derivatives was compared using DAST and Deoxo-Fluor as reagents. Deoxo-Fluor was found to be especially useful in the fluorination of methyl 2,3,4-O-tribenzoyl -D-mannopyranoside and -D-glucopyranoside, resulting in better yields and avoiding the 1,6-methoxy migration experienced with DAST for one derivative. The two reagents gave comparable yields i...

  19. Characteristic of Schiff Base Salicylaldehyde Benzoyl Hydrazone%Schiff碱水杨醛苯甲酰腙的特性

    Institute of Scientific and Technical Information of China (English)

    鲁伊恒; 吕玉卫

    2004-01-01

    研究了Schiff碱水杨醛苯甲酰腙(简称SBH)晶体在DMSO及其DMSO-H2O的混合溶剂中的红外光谱,通过SBH氘代前后的IR对比发现,羟基氢质子与混合溶剂DMSO-H2O(3:1,V/V)产生较大的相互作用.向溶有SBH的75%DMSO-25%H2O的溶液滴加KOH发现,SBH分子上的C=O羰基基团先与KOH作用,其后与O-H羟基基团作用.

  20. SYNTHESIS AND CHARACTERIZATION OF N-(1-NAPHTHYL) SUCCINIMIDE

    Institute of Scientific and Technical Information of China (English)

    LI Hexian; YANG Hailong; LIU Kun; WANG Ying; YUAN Jialong; WANG Guochang

    2007-01-01

    In this paper a modified two-step procedure for synthesis of N-(1-naphthyl) succinimide (NaS) was developed, and the molecular structure of NaS was properly characterized by XRD, FT-IR,1H NMR, DSC, etc. The results show that the melting point of our product is 159 ℃~160.5 ℃, and the characteristic infrared absorption band of carbonyl group splits into two peaks (1705cm-1/1779cm-1),which are found to be quite different from the documented data (mp 147 ℃~149 ℃; IR C=O,~1700cm-1 ). Besides, photophysical spectroscopy was found to be powerful to study the molecular structure and crystal morphology of NaS compound.

  1. SYNTHESIS AND CHARACTERIZATION OF N-(1-NAPHTHYL) SUCCINIMIDE

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper a modified two-step procedure for synthesis of N-(1-naphthyl) succinimide (NaS) was developed, and the molecular structure of NaS was properly characterized by XRD, FT-IR, 1H NMR, DSC, etc. The results show that the melting point of our product is 159℃~160.5 ℃, and the characteristic infrared absorption band of carbonyl group splits into two peaks (1705cm-1/1779cm-1), which are found to be quite different from the documented data (mp 147℃~149℃;IR C=O,~1700cm-1). Besides, photophysical spectroscopy was found to be powerful to study the molecular structure and crystal morphology of NaS compound.

  2. Azo-hydrazone tautomerism of aryl azo pyridone dyes

    Directory of Open Access Journals (Sweden)

    Mirković Jelena M.

    2013-01-01

    Full Text Available In the last three or four decades disperse dyes derived from pyridones (in particular azo pyridone dyes have gained in importance, and are widely used in various fields. These compounds have excellent coloration properties, and are suitable for the dyeing of polyester fabrics. Basic features of these dyes are simplicity of their synthesis by diazotation and azo coupling. They generally have high molar extinction coefficient with medium to high light and wet fastness. The absorption maxima of these dyes show their visible absorption wavelength ranging from yellow to orange, which can be attributed to poorly delocalized electrons in the pyridone ring. However, there are several dyes with deep colors such as red or violet. Pyridone dyes with alkyl and aryl groups in ortho position to azo group show 2-pyridone/2-hydroxypyridine tautomerism, while those containing OH and NHR groups conjugated with the azo group show azo-hydrazone tautomerism. Determining azo-hydrazone tautomerism could be therefore interesting, since the tautomers have different physico-chemical properties and most importantly different coloration. The literature on azo-hydrazone tautomerism, determination of equilibrium position, and investigation of substituent and solvent influence on tautomerism has been summarized in the presented review. The general conclusion is that the equilibrium between two tautomers is influenced by the structure of the compounds and by the solvents used. The tautomeric behavior patterns of the arylazo pyridone dyes in the reviewed literature has been studied using various instrumental techniques, including FT-IR, UV-vis, and NMR spectroscopy. The quantum chemical calculations related to the azo-hydrazon tautomerism have also been included. A large number of pyridone dyes exist in hydrazone form in solid state, while in solvents there is a mixture of tautomers. In addition, the X-ray single-crystal diffraction data analysis of some commercial pyridone

  3. Naphthyl-Containing Organophosphonate Derivatives of Keggin-Type Polyoxotungstates

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    Nerea Andino

    2016-05-01

    Full Text Available New organophosphonate derivatives of monovacant Keggin-type polyoxotungstates that contain naphthyl groups have been synthesized and characterized in both solid state and solution. Single-crystal structural analysis shows that two phosphonate groups occupy the vacant position of the lacunary cluster unit in the isostructural compounds [N(C4H94]3[H(POC11H92(α-HBW11O39] (TBA-1 and [N(C4H94]3[H(POC11H92(α-SiW11O39] (TBA-2. Liquid-solution UV–Vis transmittance and solid-state diffuse reflectance spectroscopy studies reveal the presence of a new absorption band in the visible region, the charge transfer character of which has been further confirmed by time-dependent density functional theory (TD-DFT calculations. The latter evidence that the charge transfer process is dominated by transitions from the highest occupied molecular orbital (HOMO, localized in the aromatic ring of the organic group, to the lowest unoccupied molecular orbital (LUMO, localized in the Keggin anion. Photoluminescence studies show that the fluorescent properties of the 1-naphthylmethylphosphonate group are quenched upon its incorporation into the inorganic oxo-tungstate skeleton. The solution stability of the hybrid clusters has been evaluated by a combination of 1H-, 13C- and 31P-Nuclear Magnetic Resonance spectroscopy and Electrospray Ionization-Mass Spectrometry. The hybrid polyanion [H(POC11H92(α-HBW11O39]3− (1 herein constitutes the first structurally characterized organo-p-block containing borotungstate, and hence it confirms that this strategy for the organic functionalization of polyoxometalate clusters can be applied to new platforms belonging to the family of group-13 heteropolyoxotungstates.

  4. Synthesis of 1-Benzoyl-3-aryl-4-hydroxy-4-phenylimidazolidin-2-thiones

    Institute of Scientific and Technical Information of China (English)

    曾润生; 邹建平; 穆学军; 沈琪

    2003-01-01

    l-Benzoyl-3-aryl-4-hydroxy-4-phenylimidazolidin-2-thiones can be synthesized readily from the cyclization of 1-benzoyl-3-arylthioureas with bromine-acetophenone in the presence of excess triethylamiqe.

  5. Infrared Spectroscopic Characterization of Calcium and Barium Hydrazone Complexes

    Directory of Open Access Journals (Sweden)

    *A. Adeniyi

    2013-06-01

    Full Text Available Hydrazones have attracted considerable interest on account of their biological activities. Introduction of calcium and barium metal ions into m- and p-nitrobenzoic hydrazones is expected to modify these biological properties for enhanced activity and versatility. The ligands were synthesized from the parent acids. The complexes have been characterized using C, H and N microanalyses and IR spectrometry. The IR spectral data of the ligands and complexes revealed bonding via the C=O and C=N groups. The suggested metal to ligand stoichiometries are: [M (m-NBHx]Cl2.yH2O, x, y = 1 and 4 for M = Ca; x, y = 2 and 3 for M = Ba respectively. [M(p-NBHx]Cl2.yH2O, x, y = 1 and 12 for M = Ca; x, y = 1 and 3 for M = Ba respectively. The structural deductions are tentative pending future X-ray structural studies.

  6. Microwave-assisted facile and rapid Friedel-Crafts benzoylation of arenes catalysed by bismuth trifluoromethanesulfonate

    DEFF Research Database (Denmark)

    Tran, Phoung Hoang; Hansen, Poul Erik; Pham, Thuy Than;

    2014-01-01

    The catalytic activity of metal triflates was investigated in Friedel–Crafts benzoylation under microwave irradiation. Friedel–Crafts benzoylation with benzoyl chloride of a variety of arenes containing electron-rich and electron-poor rings using bismuth triflate under microwave irradiation is...

  7. Methyllithium-Doped Naphthyl-Containing Conjugated Microporous Polymer with Enhanced Hydrogen Storage Performance.

    Science.gov (United States)

    Xu, Dan; Sun, Lei; Li, Gang; Shang, Jin; Yang, Rui-Xia; Deng, Wei-Qiao

    2016-06-01

    Hydrogen storage is a primary challenge for using hydrogen as a fuel. With ideal hydrogen storage kinetics, the weak binding strength of hydrogen to sorbents is the key barrier to obtain decent hydrogen storage performance. Here, we reported the rational synthesis of a methyllithium-doped naphthyl-containing conjugated microporous polymer with exceptional binding strength of hydrogen to the polymer guided by theoretical simulations. Meanwhile, the experimental results showed that isosteric heat can reach up to 8.4 kJ mol(-1) and the methyllithium-doped naphthyl-containing conjugated microporous polymer exhibited an enhanced hydrogen storage performance with 150 % enhancement compared with its counterpart naphthyl-containing conjugated microporous polymer. These results indicate that this strategy provides a direction for design and synthesis of new materials that meet the US Department of Energy (DOE) hydrogen storage target. PMID:27106536

  8. Transition metal complexes of an isatinic quinolyl hydrazone

    Directory of Open Access Journals (Sweden)

    Seleem Hussein S

    2011-06-01

    Full Text Available Abstract Background The importance of the isatinic quinolyl hydrazones arises from incorporating the quinoline ring with the indole ring in the same compound. Quinoline ring has therapeutic and biological activities. On the other hand, isatin (1H-indole-2,3-dione and its derivatives exhibit a wide range of biological activities. Also, the indole ring occurs in Jasmine flowers and Orange blossoms. Recently, the physiological and biological activities of quinolyl hydrazones arise from their tendency to form metal chelates with transition metal ions. In this context, we have reported to isolate, characterize and study the biological activity of some transition metal complexes of an isatinic quinolyl hydrazone; 3-[2-(4-methyl quinolin-2-ylhydrazono] indolin-2-one. Results Mono- and binuclear as well as dimeric chelates were obtained from the reaction of a new isatinic quinolyl hydrazone with Fe(III, Co(II, Ni(II, Cu(II, VO(II and Pd(II ions. The ligand showed a variety of modes of bonding viz. (NNO2-, (NO- and (NO per each metal ion supporting its ambidentate and flexidentate characters. The mode of bonding and basicity of the ligand depend mainly on the type of the metal cation and its counter anion. All the obtained Pd(II- complexes have the preferable square planar geometry (D4h- symmetry and depend mainly on the mole ratio (M:L. Conclusion The effect of the type of the metal ion for the same anion (Cl- is obvious from either structural diversity of the isolated complexes (Oh, Td and D4h or the various modes of bonding. The isatinic hydrazone uses its lactim form in all complexes (Cl- except complex 5 (SO42- in which it uses its lactam form. The obtained Pd(II- complexes (dimeric, mono- and binuclear are affected by the mole ratio (M:L and have the square planar (D4h geometry. Also, the antimicrobial activity is highly influenced by the nature of the metal ion and the order for S. aureus bacteria is as follows: Nickel(II > Vanadyl(II > Cobalt

  9. Improved Convenient Synthesis of Benzoyl Metronidazole: A Nitroimidazole Antibiotics

    Directory of Open Access Journals (Sweden)

    Zhi-zhong Wang

    2013-01-01

    Full Text Available An improved, cost-effective, and one-pot method for the synthesis of benzoyl metronidazole was achieved by using N,N′-carbonyldiimidazole as a coupling reagent. Moreover, the byproduct imidazole as the catalyst promoted the reaction. The procedures are simple and suitable to large-scale manufactures.

  10. Probing the interaction of spermine and 1-naphthyl acetyl spermine with DNA polynucleotides: a comparative biophysical and thermodynamic investigation.

    Science.gov (United States)

    Kabir, Ayesha; Kumar, Gopinatha Suresh

    2014-05-01

    The interaction of spermine and its analogue, 1-naphthyl acetyl spermine with four double stranded DNA polynucleotides has been studied to understand the structural and thermodynamic basis of the binding. The efficacy and specificity of DNA binding of this analogue has not yet been revealed. The energetics of the interaction was studied by isothermal titration calorimetry and differential scanning calorimetry. Circular dichroism spectroscopy, UV-thermal melting and ethidium bromide displacement assay have been employed to characterize the association. Circular dichroism studies showed that 1-naphthyl acetyl spermine caused a stronger structural perturbation in the polynucleotides. Among the adenine-thymine polynucleotides the alternating polynucleotide was more preferred by naphthyl acetyl spermine compared to the preference of spermine for the homo sequence. The higher melting stabilization revealed by the optical melting and differential scanning calorimetry results suggested that the binding of 1-naphthyl acetyl spermine increased the melting temperature and the total standard molar enthalpy of the transition of adenine-thymine polynucleotides. Microcalorimetry results revealed that unlike spermine the binding of 1-naphthyl acetyl spermine was endothermic. The interaction was characterized by total enthalpy-entropy compensation and high standard molar heat capacity values. There are differences in the mode of association of 1-naphthyl acetyl spermine and spermine. 1-naphthyl acetyl spermine binds with an enhanced affinity with the adenine-thymine hetero polynucleotide. Thus, the result suggests the importance of polyamine analogues and their ability to interfere with normal polyamine interactions.

  11. Ligand substitution reactions of a phenolic quinolyl hydrazone; oxidovanadium (IV complexes

    Directory of Open Access Journals (Sweden)

    Seleem Hussein S

    2011-08-01

    Full Text Available Abstract Background Quinoline ring has therapeutic and biological activities. Quinolyl hydrazones constitute a class of excellent chelating agents. Recently, the physiological and biological activities of quinolyl hydrazones arise from their tendency to form metal chelates with transition metal ions. In this context, we have aimed to study the competency effect of a phenolic quinolyl hydrazone (H2L; primary ligand with some auxiliary ligands (Tmen, Phen or Oxine; secondary ligands towards oxidovanadium (IV ions. Results Mono- and binuclear oxidovanadium (IV - complexes were obtained from the reaction of a phenolic quinolyl hydrazone with oxidovanadium (IV- ion in absence and presence of N,N,N',N'- tetramethylethylenediamine (Tmen, 1,10-phenanthroline (Phen or 8-hydroxyquinoline (Oxine. The phenolic quinolyl hydrazone ligand behaves as monobasic bidentate (NO- donor with O- bridging. All the obtained complexes have the preferable octahedral geometry except the oxinato complex (2 which has a square pyramid geometry with no axial interaction; the only homoleptic complex in this study. Conclusion The ligand exchange (substitution/replacement reactions reflect the strong competency power of the auxiliary aromatic ligands (Phen/Oxine compared to the phenolic quinolyl hydrazone (H2L towards oxidovanadium (IV ion; (complexes 2 and 3. By contrast, in case of the more flexible aliphatic competitor (Tmen, an adduct was obtained (4. The obtained complexes reflect the strength of the ligand field towards the oxidovanadium (IV- ion; Oxine or Phen >> phenolic hydrazone (H2L > Tmen.

  12. Uptake of {sup 188}Re-{beta}-naphthyl-peptide in cervical carcinoma tumours in athymic mice

    Energy Technology Data Exchange (ETDEWEB)

    Arteaga de Murphy, Consuelo E-mail: cmurphy@data.net.mx; Pedraza-Lopez, Martha; Ferro-Flores, Guillermina; Murphy-Stack, Eduardo; Chavez-Mercado, Leonora; Ascencio, Jorge A.; Garcia-Salinas, Laura; Hernandez-Gutierrez, Salomon

    2001-04-01

    Radiolabelled somatostatin analogues have been used in diagnostic and therapeutic nuclear medicine to treat cancerous tumours. Lanreotide, a cyclic octapeptide, {beta}-naphthyl-peptide, with antiproliferative action on human small cell lung carcinoma was {sup 188}Re labelled and characterised, and its biodistribution was studied in mice. Molecular modelling indicates that the lipophilic radiopharmaceutical might be an oxo-rhenium (V) penta-coordinated complex. The implanted human cervical tumour of epidermoid origin was positive for cytokeratins and Vimentin. Uptake of {sup 188}Re-labelled peptide in the implanted tumour in athymic mice was 6.2{+-}2.9% and was rapidly cleared via the hepatobiliary system. {sup 188}Re-{beta}-naphthyl-peptide might be a potential therapeutic agent.

  13. Physical, Thermal, and Spectroscopic Characterization of Biofield Energy Treated Methyl-2-Naphthyl Ether

    OpenAIRE

    Trivedi, Mahendra Kumar

    2015-01-01

    Methyl-2-naphthyl ether (MNE) is an organic compound and used as the primary moiety for the synthesis of several antimicrobial and anti-inflammatory agents. This study was attempted to evaluate the impact of biofield energy treatment on the physical, thermal, and spectroscopic properties of MNE. The study was carried out in two groups i.e., control and treated. The treated group was subjected to Mr. Trivedi’s biofield treatment. Afterward, the control and treated samples of MNE were eva...

  14. Structural studies of PCU-hydrazones: NMR spectroscopy, X-ray diffractions, and DFT calculations

    Science.gov (United States)

    Veljković, Jelena; Šekutor, Marina; Molčanov, Krešimir; Lo, Rabindranath; Ganguly, Bishwajit; Mlinarić-Majerski, Kata

    2011-06-01

    In this article we present a detailed structural investigation for the configurational isomers of PCU-hydrazones. The structural characterization of these hydrazones was performed using NMR spectroscopy, X-ray diffraction analysis and theoretical calculations. The single crystal X-ray structures of PCU-hydrazones 6B and 6C have been solved and used to conclusively confirm the characterization obtained via NMR spectra of a particular isomer. Nuclear magnetic shielding values calculated for 6A-C using DFT calculations were correlated with the experimentally determined chemical shifts. The computed results were found to be in good agreement with the observed 13C NMR values. The computed NMR results helped to ascertain the isomers of PCU-hydrazones 4A-C.

  15. Reactions of azoalkenes derived from hydrazones of ethyl bromopyruvate with electron rich alkenes and heterocycles

    OpenAIRE

    Clarke, S.; Gilchrist, Thomas L.; Lemos, A.; G. Roberts, Tony

    1991-01-01

    Three hydrazones of ethyl bromopyruvate, the dinitrophenylhydrazone 2a, the toluene-4-sulphonylhydrazone 2b and the t-butoxycarbonylhydrazone 2c, have been reacted with a series of nucleophilic alkenes and heterocycles in the presence of sodium carbonate. Azoalkenes 3 are presumed as intermediates and adducts have been isolated. The azoalkenes derived from hydrazones 2a and 2c are found to be useful electrophiles and electrophilic dienes.

  16. Synthesis and Biological Activities of Camphor Hydrazone and Imine Derivatives

    Science.gov (United States)

    da Silva, Emerson T.; da Silva Araújo, Adriele; Moraes, Adriana M.; de Souza, Leidiane A.; Silva Lourenço, Maria Cristina; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.

    2015-01-01

    Both sonochemical and classical methodologies have been employed to convert camphor, 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, C9H16C=O, into a number of derivatives including hydrazones, C9H16C=N-NHAr 3, imines, C9H16C=N-R 7, and the key intermediate nitroimine, C9H16C=N-NO2 6. Reactions of nitroamine 6 with nucleophiles by classical methods provided the desired compounds in a range of yields. In evaluations of activity against Mycobacterium tuberculosis, compound 7j exhibited the best activity (minimal inhibitory concentration (MIC) = 3.12 µg/mL), comparable to that of the antitubercular drug ethambutol. The other derivatives displayed modest antimycobacterial activities at 25–50 µg/mL. In in vitro tests against cancer cell lines, none of the synthesized camphor compounds exhibited cytotoxic activities.

  17. The antibacterial activity of some sulfonamides and sulfonyl hydrazones, and 2D-QSAR study of a series of sulfonyl hydrazones

    Science.gov (United States)

    Aslan, H. Güzin; Özcan, Servet; Karacan, Nurcan

    2012-12-01

    Benzenesulfonicacid-1-methylhydrazide (1) and its four aromatic sulfonyl hydrazone derivatives (1a-1d), N-(3-amino-2-hydroxypropyl)benzene sulfonamide (2) and N-(2-hydroxyethyl)benzenesulfonamide (3) were synthesized and their structures were determined by IR, 1H NMR, 13C NMR, and LCMS techniques. Antibacterial activities of new synthesized compounds were evaluated against various bacteria strains by microdilution and disk diffusion methods. The experimental results show that presence of OH group on sulfonamides reduces the antimicrobial activity, and antimicrobial activities of the sulfonyl hydrazones (1a-1d) are smaller than that of the parent sulfonamide (1), except Candida albicans. In addition, 2D-QSAR analysis was performed on 28 aromatic sulfonyl hydrazones as antimicrobial agents against Escherichia coli and Staphylococcus aureus. In the QSAR models, the most important descriptor is total point-charge component of the molecular dipole for E. coli, and partial negative surface area (PNSA-1) for S. aureus.

  18. Preparation and Antimicrobial Activity of s-Triazine Hydrazones of 7-Hydroxy Coumarin and Their Metal Complexes

    Directory of Open Access Journals (Sweden)

    G. R. Jani

    2009-01-01

    Full Text Available Metal complexes of 7-hydroxy coumarin hydrazone of s-triazine derivatives derived from 7-hydroxy-8-aceto-N-(4',6’-dichloro-1',3',5'-s-triazine coumarin hydrazone and transition metals have been synthesized and screened for their antibacterial, antifungal and antiseptic activity. The geometry of the complexes has been proposed. The ligand system co-ordinates with the metal ion in a bidentate manner through the nitrogen atom of hydrazone group.

  19. Comparative study of Palladium (II using 4-Hydroxy 3, 5 dimethoxy benzaldehyde 4-hydroxy benzoyl hydrazone and Cinnamaldehyde 4-hydroxy benzoylhydrazone in presence of micellar medium by Spectrophotometry

    Directory of Open Access Journals (Sweden)

    D.Gopala Krishna,

    2010-09-01

    Full Text Available Two simple, sensitive, rapid and selective spectrophotometric methods have been developed for the determination of Palladium (II using newly synthesized reagents 4-Hdroxy3,5dimethoxy benzaldehyde-4-hydroxybenzoylhydrazone (HDMBHBH and Cinnamaldehyde 4-hydroxy benzoylhydrazone (CMHBH in presence of neutral surfactant TritonX-100-5% (micellar medium. Palladium (II forms a brown coluored water-soluble complex with HDMBHBH and CMHBH-in the pH range 1.0-6.0. The Pd (II-HDMBHBH complex shows maximum absorbance at max 373 nm in the pH range 3.0-4.0 and Pd (II-CMHBH shows at max 375 nm in thepH range 4.0-5.0. At these wavelengths (max, the complex shows maximum absorbance while the reagent blanks shows negligible absorbance. Hence, analytical studies were carried out at max 373 nm at pH 3.0 for HDMBHBH and 375 nm at pH 4.0 for CMHBH against reagent blanks. Beer's law is obeyed in the range 0.106-1.064 μg ml-1 and the optimum concentration range from ringbom plot is 0.212-0.957 g/ml of Palladium (II for both reagents. The molar absorptivity and Sandell's sensitivity for the coloured solution were found to be 7.5 x 104 L mol-1 cm-1 and 0.0015-μg. cm-2 for HDMBHBH, 6.0x104L mol-1 cm-1 , and 0.0017 -μg. cm-2 for CMHBH respectively. The interference effects of various diverse ions have been studied. Palladium (II forms 1:1 complex with HDMBHBH and CMHBH stoichiometry with stability constant 7.29 x 106 for HDMBHBH and 3.55 x 106 for CMHBH. The standard deviation in the determination of 0.638-μg ml-1 of Palladium (II is 0.003 for HDMBHBH and 0.008 for CMHBH. The Relative standard deviation is 0.71% for HDMBHBH and 2.5% for CMHBH. First and second order derivative spectroscopic methods were developed at max 422 nm and 444 nm for HDMBHBH and at 402 nm and438 nm for CMHBH respectively, for the determination of Palladium (II, which is more sensitive than the zero order method. The developed method has been employed for the determination of Palladium (II in hydrogenation catalyst samples, synthetic alloy samples and in water samples. The results are in good agreement with the certifiedvalues.

  20. Simple hydrazone building blocks for complicated functional materials.

    Science.gov (United States)

    Tatum, Luke A; Su, Xin; Aprahamian, Ivan

    2014-07-15

    CONSPECTUS: The ability to selectively and effectively control various molecular processes via specific stimuli is a hallmark of the complexity of biological systems. The development of synthetic structures that can mimic such processes, even on the fundamental level, is one of the main goals of supramolecular chemistry. Having this in mind, there has been a foray of research in the past two decades aimed at developing molecular architectures, whose properties can be modulated using external inputs. In most cases, reversible conformational, configurational, or translational motions, as well as bond formation or cleavage reactions have been used in such modulations, which are usually initiated using inputs including, irradiation, metalation, or changes in pH. This research activity has led to the development of a diverse array of impressive adaptive systems that have been used in showcasing the potential of molecular switches and machines. That being said, there are still numerous obstacles to be tackled in the field, ranging from difficulties in getting molecular switches to communicate and work together to complications in integrating and interfacing them with surfaces and bulk materials. Addressing these challenges will necessitate the development of creative new approaches in the field, the improvement of the currently available materials, and the discovery of new molecular switches. This Account will describe how our quest to design new molecular switches has led us to the development of structurally simple systems that can be used for complicated functions. Our focus on the modular and tunable hydrazone functional group was instigated by the desire to simplify the structure and design of molecular switches in order to circumvent multistep synthesis. We hypothesized that by avoiding this synthetic bottleneck, which is one of the factors that hinder fast progress in the field, we can expedite the development and deployment of our adaptive materials. It should be

  1. 芳酰腙配体与Ni(Ⅱ)和Co(Ⅱ)配合物的水热合成与晶体结构%Hydrothermal Synthesis and Crystal Structure of Ni(Ⅱ) and Co(Ⅱ) Complexes with Hydrazone Ligand

    Institute of Scientific and Technical Information of China (English)

    郑长征; 王亮; 刘娟

    2012-01-01

    A new bidentate ON hydrazone ligand,has been designed and synthesized by benzylidene acetophenone with benzoyl hydrazine (Hbabh).Two coordination compounds,namely [M(babh)2(py)2] (M=Ni,1;Co,2; Hbabh=benzylidene acetophenone benzoyl hydrazone,py=pyridine),have been hydrothermally synthesized and characterized by analytical,IR,TG analysis and single-crystal X-ray diffraction measurements.The two compounds crystallize in the Monoclinic space group P21/n.A view of 2D sheet structure in 1 and 2 are packed alongside with each other through weak C-H...π interactions.CCDC:819582,1; 819583,2.%由苯亚甲基苯乙酮和苯甲酰肼合成一种新型双齿(O、N)酰腙配体(苯亚甲基苯乙酮苯甲酰腙).由水热法合成了两种配合物[M(babh)2(py)2](M=Ni,1;Co,2;Hbabh=苯亚甲基苯乙酮苯甲酰腙,py=吡啶),并用元素分析、红外、热重及X-射线单晶衍射对其进行了表征.晶体结构分析结果表明:两个化合物均属单斜晶系,空间群均是P21/n.化合物1和2通过分子间弱的C-H…π堆积形成二维片状超分子层.

  2. Formulation and characterization of benzoyl peroxide gellified emulsions.

    Science.gov (United States)

    Thakur, Naresh Kumar; Bharti, Pratibha; Mahant, Sheefali; Rao, Rekha

    2012-12-01

    The present investigation was carried out with the objective of formulating a gellified emulsion of benzoyl peroxide, an anti-acne agent. The formulations were prepared using four different vegetable oils, viz. almond oil, jojoba oil, sesame oil, and wheat germ oil, owing to their emollient properties. The idea was to overcome the skin irritation and dryness caused by benzoyl peroxide, making the formulation more tolerable. The gellified emulsions were characterized for their homogeneity, rheology, spreadability, drug content, and stability. In vitro permeation studies were performed to check the drug permeation through rat skin. The formulations were evaluated for their antimicrobial activity, as well as their acute skin irritation potential. The results were compared with those obtained for the marketed formulation. Later, the histopathological examination of the skin treated with various formulations was carried out. Formulation F3 was found to have caused a very mild dysplastic change to the epidermis. On the other hand, the marketed formulation led to the greatest dysplastic change. Hence, it was concluded that formulation F3, containing sesame oil (6%w/w), was the optimized formulation. It exhibited the maximum drug release and anti-microbial activity, in addition to the least skin irritation potential.

  3. White organic light-emitting diodes with 9, 10-bis (2-naphthyl) anthracene

    Energy Technology Data Exchange (ETDEWEB)

    Guan Yunxia; Niu Lianbin [Key Laboratory of Optical Engineering, College of Physics and Information Technology, Chongqing Normal University, Chongqing 400047 (China)], E-mail: gyxybsy@126.com, E-mail: niulb03@126.com

    2009-03-01

    White organic light-emitting diodes were fabricated by 9, 10-bis (2-naphthyl) anthracene (ADN) doped with Rubrene with a structure of ITO/copper phthalocyanine (CuPc) / NPB /ADN: Rubrene /Alq{sub 3} /CsF/Mg:Ag/Ag. Multilayer organic devices using AND and Rubrene as an emitting layer produced white emissions with good chromaticity and luminous efficiency as high as 5.93 cd/A. This performance can be explained by Foerster energy transfer from the blue-emitting host to the orange-emitting dopant.

  4. (Z)-4-(2-Naphthyl­amino)­pent-3-en-2-one

    OpenAIRE

    Harrad, Mohamed Anoir; Boualy, Brahim; Oudahmane, Abdelghani; Avignant, Daniel; Rizzoli, Corrado

    2011-01-01

    The title compound, C15H15NO, which was synthesized under solvent-free conditions by the reaction of acetoacetone and 2-naphthyl­amine, adopts a Z conformation about the C=C bond. The enamine–ketone fragment is approximately planar [maximum deviation = 0.026 (3) Å] and forms a dihedral angle of 39.78 (3)° with the naphthalene ring system. An intra­molecular N—H⋯O hydrogen bond is observed.

  5. Synthesis, spectroscopic characterizations, crystal structures and DFT studies of nalidixic acid carbonyl hydrazones derivatives

    Science.gov (United States)

    Bergamini, F. R. G.; Ribeiro, M. A.; Lancellotti, M.; Machado, D.; Miranda, P. C. M. L.; Cuin, A.; Formiga, A. L. B.; Corbi, P. P.

    2016-09-01

    This article describes the synthesis and characterization of the 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide (hzd) and six carbonyl hydrazones derivatives of the nalidixic with 1H-pyrrol-2-ylmethylidene (hpyrr), 1H-imidazol-2-ylmethylidene (h2imi), pyridin-2-ylmethylidene (h2py), pyridin-3-ylmethylidene (h3py), pyridin-4-ylmethylidene(h4py) and (2-hydroxyphenyl)methylidene (hsali). The carbonyl hydrazones were characterized by elemental and ESI-QTOF-MS analyses, IR and detailed NMR spectroscopic measurements. The 2D NMR experiments allowed the unambiguous assignment of the hydrogen, carbon and nitrogen atoms, which have not been reported for nalidixic acid carbonyl hydrazone derivatives so far. Crystal structures of hzd and the new carbonyl hydrazones h2imi, hpyrr and h3py were determined by X-ray diffraction studies. Although the synthesis of hzd was reported decades ago, the hzd crystal structure have not been reported yet. Geometric optimizations of all the characterized structures were performed with the aid of DFT studies. Despite the fact that the hydrazones with 2-pyridine carboxylic acid (h2py) and salicyl aldehyde (hsali) were already reported by literature, a detailed spectroscopic study followed by DFT studies are also reported for such compounds in this manuscript. Antimicrobial studies of the compounds are also presented.

  6. Synthesis and Biological Evaluation of Hydrazone Derivatives as Antifungal Agents

    Directory of Open Access Journals (Sweden)

    Bruna B. Casanova

    2015-05-01

    Full Text Available Emerging yeasts are among the most prevalent causes of systemic infections with high mortality rates and there is an urgent need to develop specific, effective and non-toxic antifungal agents to respond to this issue. In this study 35 aldehydes, hydrazones and hydrazines were obtained and their antifungal activity was evaluated against Candida species (C. parapsilosis, C. tropicalis, C. krusei, C. albicans, C. glabrata and C. lusitaneae and Trichosporon asahii, in an in vitro screening. The minimum inhibitory concentrations (MICs of the active compounds in the screening was determined against 10 clinical isolates of C. parapsilosis and 10 of T. asahii. The compounds 4-pyridin-2-ylbenzaldehyde] (13a and tert-butyl-(2Z-2-(3,4,5-trihydroxybenzylidinehydrazine carboxylate (7b showed the most promising MIC values in the range of 16–32 μg/mL and 8–16 μg/mL, respectively. The compounds’ action on the stability of the cell membrane and cell wall was evaluated, which suggested the action of the compounds on the fungal cell membrane. Cell viability of leukocytes and an alkaline comet assay were performed to evaluate the cytotoxicity. Compound 13a was not cytotoxic at the active concentrations. These results support the discovery of promising candidates for the development of new antifungal agents.

  7. Rapid detection of benzoyl peroxide in wheat flour by using Raman scattering spectroscopy

    Science.gov (United States)

    Zhao, Juan; Peng, Yankun; Chao, Kuanglin; Qin, Jianwei; Dhakal, Sagar; Xu, Tianfeng

    2015-05-01

    Benzoyl peroxide is a common flour additive that improves the whiteness of flour and the storage properties of flour products. However, benzoyl peroxide adversely affects the nutritional content of flour, and excess consumption causes nausea, dizziness, other poisoning, and serious liver damage. This study was focus on detection of the benzoyl peroxide added in wheat flour. A Raman scattering spectroscopy system was used to acquire spectral signal from sample data and identify benzoyl peroxide based on Raman spectral peak position. The optical devices consisted of Raman spectrometer and CCD camera, 785 nm laser module, optical fiber, prober, and a translation stage to develop a real-time, nondestructive detection system. Pure flour, pure benzoyl peroxide and different concentrations of benzoyl peroxide mixed with flour were prepared as three sets samples to measure the Raman spectrum. These samples were placed in the same type of petri dish to maintain a fixed distance between the Raman CCD and petri dish during spectral collection. The mixed samples were worked by pretreatment of homogenization and collected multiple sets of data of each mixture. The exposure time of this experiment was set at 0.5s. The Savitzky Golay (S-G) algorithm and polynomial curve-fitting method was applied to remove the fluorescence background from the Raman spectrum. The Raman spectral peaks at 619 cm-1, 848 cm-1, 890 cm-1, 1001 cm-1, 1234 cm-1, 1603cm-1, 1777cm-1 were identified as the Raman fingerprint of benzoyl peroxide. Based on the relationship between the Raman intensity of the most prominent peak at around 1001 cm-1 and log values of benzoyl peroxide concentrations, the chemical concentration prediction model was developed. This research demonstrated that Raman detection system could effectively and rapidly identify benzoyl peroxide adulteration in wheat flour. The experimental result is promising and the system with further modification can be applicable for more products in near

  8. Investigation of Keto-enol Tautomers during the Synthesis of Aryl-bis (2-hydroxy-1-naphthyl)Methanes

    Indian Academy of Sciences (India)

    Papia Dutta; Mrinal Saikia; Rashmi Jyoti Das; Ruli Borah

    2014-11-01

    This study investigated the existence of keto-enol tautomers for the first time during the synthesis of aryl-bis(2-hydroxy-1-naphthyl)methane from 2-naphthol and -tolualdehyde or 4-chlorobenzaldehyde in methanol using CuSO4.5H2O as catalyst under reflux condition. The exclusive formation of aryl-bis(2-hydroxy-1-naphthyl)methaneswas observed in dichloromethane at room temperature in the presence of BF3.OEt2/AcOH as catalyst. The keto productswere isolated and characterized by 1HNMR, 13C NMR, COSY and DEPTspectra.

  9. Colorectal anticancer activities of polymethoxylated 3-naphthyl-5-phenylpyrazoline-carbothioamides.

    Science.gov (United States)

    Shin, Soon Young; Ahn, Seunghyun; Yoon, Hyuk; Jung, Hyeryoung; Jung, Yearam; Koh, Dongsoo; Lee, Young Han; Lim, Yoongho

    2016-09-01

    To develop potent chemotherapeutic agents for treating colorectal cancers, polymethoxylated 3-naphthyl-5-phenylpyrazoline-carbothioamide derivatives were designed. Twenty-two novel derivatives were synthesized and their cytotoxicities were measured using a clonogenic long-term survival assay. Of these derivatives, 3-(1-hydroxynaphthalen-2-yl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-pyrazoline-1-carbothioamide (NPC 15) exhibited the best half-maximal cell growth inhibitory concentrations (196.35nM). To explain its cytotoxicity, further biological experiments were performed. Treatment with NPC 15 inhibited cell cycle progression and triggered apoptosis through the caspase-mediated pathway. Its inhibitory effects on several kinases participating in the cell cycle were investigated using an in vitro kinase assay. Its half-maximal inhibitory concentrations for aurora kinases A and B were 105.03μM and 8.53μM, respectively. Further analysis showed that NPC 15 decreased phosphorylation of aurora kinases A, B, and C and phosphorylation of histone H3, a substrate of aurora kinases A and B. Its molecular binding mode for aurora kinase B was elucidated using in silico docking. In summary, polymethoxylated 3-naphthyl-5-phenylpyrazoline-carbothioamides could be potent chemotherapeutic agents. PMID:27476140

  10. Ruthenium(II) hydrazone Schiff base complexes: Synthesis, spectral study and catalytic applications

    Science.gov (United States)

    Manikandan, R.; Viswanathamurthi, P.; Muthukumar, M.

    2011-12-01

    Ruthenium(II) hydrazone Schiff base complexes of the type [RuCl(CO)(B)(L)] (were B = PPh 3, AsPh 3 or Py; L = hydrazone Schiff base ligands) were synthesized from the reactions of hydrazone Schiff base ligand (obtained from isonicotinoylhydrazide and different hydroxy aldehydes) with [RuHCl(CO)(EPh 3) 2(B)] (where E = P or As; B = PPh 3, AsPh 3 or Py) in 1:1 molar ratio. All the new complexes have been characterized by analytical and spectral (FT-IR, electronic, 1H, 13C and 31P NMR) data. They have been tentatively assigned an octahedral structure. The synthesized complexes have exhibited catalytic activity for oxidation of benzyl alcohol to benzaldehyde and cyclohexanol to cyclohexanone in the presence of N-methyl morpholine N-oxide (NMO) as co-oxidant. They were also found to catalyze the transfer hydrogenation of aliphatic and aromatic ketones to alcohols in KOH/Isopropanol.

  11. Synthesis, spectral studies and structure of 2-hydroxyacetophenone nicotinic acid hydrazone

    Science.gov (United States)

    Sreeja, P. B.; Sreekanth, A.; Nayar, Chandini R.; Prathapachandra Kurup, M. R.; Usman, A.; Razak, I. A.; Chantrapromma, S.; Fun, H. K.

    2003-01-01

    2-Hydroxyacetophenone nicotinic acid hydrazone (H 2ApNH) was synthesized as a part of our work, in search for non-linear optical crystal based on hydrazones, and studied spectroscopically. Complete NMR assignments for the hydrazone was made using COSY homonuclear and HMQC heteronuclear correlation techniques. Solid state reflectance was also studied in order to understand the electronic structure of the synthesized compound. The crystal and molecular structures of H 2ApNH were determined. The compound crystallizes into an orthorhombic lattice with a non-centrosymmetric space group Pca2 1 with two crystallographically unique molecules of in an asymmetric unit. The geometry reveals quasi co planarity in the whole molecular skeleton with localization of the double bonds in the CN-N-CO with an E-configuration.

  12. Comparative metabolism and mutagenicity of azo and hydrazone dyes in the Ames test.

    Science.gov (United States)

    De France, B F; Carter, M H; Josephy, P D

    1986-02-01

    Enteric bacterial and hepatic azoreductase enzymes are capable of reducing azo dyes to yield the constituent aromatic amines. Azo dyes based on benzidine and benzidine congeners have received particular attention because of their widespread use and the known carcinogenicity of benzidine to humans. Azo dyes based on beta-diketone coupling components exist preferentially as the tautomeric hydrazones. A series of hydrazone dyes based on benzidine and benzidine congeners was prepared and characterized by NMR and UV-visible spectroscopy. These dyes were tested for mutagenicity using a modified Ames assay and, unlike the true azo dyes, showed no significant mutagenic activity. The hydrazone dyes were resistant to enzymatic reduction by FMN-supplemented hamster-liver post-mitochondrial supernatant (S-9); under identical conditions, azo dyes such as trypan blue were rapidly reduced.

  13. Supramolecular arrangement in mono and bi-camphor acyl hydrazones: A structural study

    Science.gov (United States)

    Galvão, Adelino M.; Carvalho, M. Fernanda N. N.; Ferreira, Ana S. D.

    2016-03-01

    New acyl hydrazones were synthesized by condensation with camphorquinone aiming at extending the range of applications of the biologically active camphor compounds and structural studies by XRD, 1H-NMR and IR were used in conjunction with advanced computational methodologies to understand the new structural chemistry enabled by the conjugation of the camphor ketone group to the hydrazone Ndbnd C double bond. In particular, were analysed supramolecular arrangements either by hydrogen bonding to water molecules or electrostatic interactions with non protic solvents. The relative stability of all conformers (E/Z) prompted by the hydrazone bond was addressed by state of the art methods such as CR-CCSD(T) and their inter-conversion in both S0 and S1 by CR-EOM-CCSD(T).

  14. Regioselective Benzoylation of Diols and Carbohydrates by Catalytic Amounts of Organobase

    Directory of Open Access Journals (Sweden)

    Yuchao Lu

    2016-05-01

    Full Text Available A novel metal-free organobase-catalyzed regioselective benzoylation of diols and carbohydrates has been developed. Treatment of diol and carbohydrate substrates with 1.1 equiv. of 1-benzoylimidazole and 0.2 equiv. of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU in MeCN under mild conditions resulted in highly regioselective benzoylation for the primary hydroxyl group. Importantly, compared to most commonly used protecting bulky groups for primary hydroxyl groups, the benzoyl protective group offers a new protection strategy.

  15. The ligational behavior of an isatinic quinolyl hydrazone towards copper(II- ions

    Directory of Open Access Journals (Sweden)

    Mousa Marwa A

    2011-04-01

    Full Text Available Abstract Background The importance of the isatinic quinolyl hydrazones arises from incorporating the quinoline ring with the indole ring. Quinoline ring has therapeutic and biological activities whereas, the indole ring occurs in Jasmine flowers and Orange blossoms. As a ligand, the isatin moiety is potentially ambidentate and can coordinate the metal ions either through its lactam or lactim forms. In a previous study, the ligational behavior of a phenolic quinolyl hydrazone towards copper(II- ions has been studied. As continuation of our interest, the present study is planned to check the ligational behavior of an isatinic quinolyl hydrazone. Results New homo- and heteroleptic copper(II- complexes were obtained from the reaction of an isatinic quinolyl hydrazone (HL with several copper(II- salts viz. Clˉ, Brˉ, NO3ˉ, ClO4-, SO42- and AcO-. The obtained complexes have Oh, Td and D4h- symmetry and fulfill the strong coordinating ability of Clˉ, Brˉ, NO3ˉ and SO42- anions. Depending on the type of the anion, the ligand coordinates the copper(II- ions either through its lactam (NO3ˉ and ClO4- or lactim (the others forms. Conclusion The effect of anion for the same metal ion is obvious from either the geometry of the isolated complexes (Oh, Td and D4h or the various modes of bonding. Also, the obtained complexes fulfill the strong coordinating ability of Clˉ, Brˉ, NO3ˉ and SO42- anions in consistency with the donor ability of the anions. In case of copper(II- acetate, a unique homoleptic complex (5 was obtained in which the AcO- anion acts as a base enough to quantitatively deprotonate the hydrazone. The isatinic hydrazone uses its lactim form in most complexes.

  16. Tridentate hydrazone metal complexes derived from cephalexin and 2-hydrazinopyridine: Synthesis, characterization and antibacterial activity

    Science.gov (United States)

    Anacona, J. R.; Rincones, Maria

    2015-04-01

    Metal(II) coordination compounds of a tridentate hydrazone ligand (HL) derived from the condensation of cephalexin antibiotic with 2-hydrazinopyridine were synthesized. The hydrazone ligand and mononuclear [ML(OAc)(H2O)] (M(II) = Mn, Co, Ni, Cu, Zn, Ag) complexes were characterized by several techniques, including elemental and thermal analysis, molar conductance and magnetic susceptibility measurements, electronic, FT-IR, EPR and 1H NMR spectral studies. The cephalexin 2-pyridinylhydrazone ligand HL behaves as a monoanionic tridentate NNO chelating agent. The biological applications of complexes have been studied on three bacteria strains (Escherichia coli, Acinetobacter baumannii and Enterococcus faecalis) by agar diffusion disc method.

  17. A Novel Greenish Blue-emitting Amorphous Molecular Material:2,5-Bis {4- [2-naphthyl (phenyl) amino] phenyl} thiophene

    Institute of Scientific and Technical Information of China (English)

    刘平; 童真

    2001-01-01

    A novel greenish blue-emitting amorphous molecular material,2,5-bis{4-[2-naphthyl(phenyl) amino] phenyl} thiophene (BNpA-1T), was designed and synthesized. Its molecular properties, glass-forming property, and application to an organic EL device were investigated.

  18. SH groups in the alpha-naphthyl acetate esterase in the thyroid of the guinea-pig. A histochemical study

    DEFF Research Database (Denmark)

    Kirkeby, S

    1976-01-01

    The alpha-naphthyl acetate esterase in both group I and group II thyroid cells is shown to contain SH groups since there is a decline in activity in both cell groups when certain sulfhydryl reagents [DTNB; 5,5'-Dithiobis-(2-nitrobenzoic acid)-AgNO3-Mersalyl-PCMB (parachloro mercuribenzoate) + urea...

  19. Precursor-Directed Combinatorial Biosynthesis of Cinnamoyl, Dihydrocinnamoyl, and Benzoyl Anthranilates in Saccharomyces cerevisiae.

    Directory of Open Access Journals (Sweden)

    Aymerick Eudes

    Full Text Available Biological synthesis of pharmaceuticals and biochemicals offers an environmentally friendly alternative to conventional chemical synthesis. These alternative methods require the design of metabolic pathways and the identification of enzymes exhibiting adequate activities. Cinnamoyl, dihydrocinnamoyl, and benzoyl anthranilates are natural metabolites which possess beneficial activities for human health, and the search is expanding for novel derivatives that might have enhanced biological activity. For example, biosynthesis in Dianthus caryophyllus is catalyzed by hydroxycinnamoyl/benzoyl-CoA:anthranilate N-hydroxycinnamoyl/ benzoyltransferase (HCBT, which couples hydroxycinnamoyl-CoAs and benzoyl-CoAs to anthranilate. We recently demonstrated the potential of using yeast (Saccharomyces cerevisiae for the biological production of a few cinnamoyl anthranilates by heterologous co-expression of 4-coumaroyl:CoA ligase from Arabidopsis thaliana (4CL5 and HCBT. Here we report that, by exploiting the substrate flexibility of both 4CL5 and HCBT, we achieved rapid biosynthesis of more than 160 cinnamoyl, dihydrocinnamoyl, and benzoyl anthranilates in yeast upon feeding with both natural and non-natural cinnamates, dihydrocinnamates, benzoates, and anthranilates. Our results demonstrate the use of enzyme promiscuity in biological synthesis to achieve high chemical diversity within a defined class of molecules. This work also points to the potential for the combinatorial biosynthesis of diverse and valuable cinnamoylated, dihydrocinnamoylated, and benzoylated products by using the versatile biological enzyme 4CL5 along with characterized cinnamoyl-CoA- and benzoyl-CoA-utilizing transferases.

  20. Precursor-Directed Combinatorial Biosynthesis of Cinnamoyl, Dihydrocinnamoyl, and Benzoyl Anthranilates in Saccharomyces cerevisiae

    Science.gov (United States)

    Eudes, Aymerick; Teixeira Benites, Veronica; Wang, George; Baidoo, Edward E. K.; Lee, Taek Soon; Keasling, Jay D.; Loqué, Dominique

    2015-01-01

    Biological synthesis of pharmaceuticals and biochemicals offers an environmentally friendly alternative to conventional chemical synthesis. These alternative methods require the design of metabolic pathways and the identification of enzymes exhibiting adequate activities. Cinnamoyl, dihydrocinnamoyl, and benzoyl anthranilates are natural metabolites which possess beneficial activities for human health, and the search is expanding for novel derivatives that might have enhanced biological activity. For example, biosynthesis in Dianthus caryophyllus is catalyzed by hydroxycinnamoyl/benzoyl-CoA:anthranilate N-hydroxycinnamoyl/ benzoyltransferase (HCBT), which couples hydroxycinnamoyl-CoAs and benzoyl-CoAs to anthranilate. We recently demonstrated the potential of using yeast (Saccharomyces cerevisiae) for the biological production of a few cinnamoyl anthranilates by heterologous co-expression of 4-coumaroyl:CoA ligase from Arabidopsis thaliana (4CL5) and HCBT. Here we report that, by exploiting the substrate flexibility of both 4CL5 and HCBT, we achieved rapid biosynthesis of more than 160 cinnamoyl, dihydrocinnamoyl, and benzoyl anthranilates in yeast upon feeding with both natural and non-natural cinnamates, dihydrocinnamates, benzoates, and anthranilates. Our results demonstrate the use of enzyme promiscuity in biological synthesis to achieve high chemical diversity within a defined class of molecules. This work also points to the potential for the combinatorial biosynthesis of diverse and valuable cinnamoylated, dihydrocinnamoylated, and benzoylated products by using the versatile biological enzyme 4CL5 along with characterized cinnamoyl-CoA- and benzoyl-CoA-utilizing transferases. PMID:26430899

  1. Precursor-Directed Combinatorial Biosynthesis of Cinnamoyl, Dihydrocinnamoyl, and Benzoyl Anthranilates in Saccharomyces cerevisiae.

    Science.gov (United States)

    Eudes, Aymerick; Teixeira Benites, Veronica; Wang, George; Baidoo, Edward E K; Lee, Taek Soon; Keasling, Jay D; Loqué, Dominique

    2015-01-01

    Biological synthesis of pharmaceuticals and biochemicals offers an environmentally friendly alternative to conventional chemical synthesis. These alternative methods require the design of metabolic pathways and the identification of enzymes exhibiting adequate activities. Cinnamoyl, dihydrocinnamoyl, and benzoyl anthranilates are natural metabolites which possess beneficial activities for human health, and the search is expanding for novel derivatives that might have enhanced biological activity. For example, biosynthesis in Dianthus caryophyllus is catalyzed by hydroxycinnamoyl/benzoyl-CoA:anthranilate N-hydroxycinnamoyl/ benzoyltransferase (HCBT), which couples hydroxycinnamoyl-CoAs and benzoyl-CoAs to anthranilate. We recently demonstrated the potential of using yeast (Saccharomyces cerevisiae) for the biological production of a few cinnamoyl anthranilates by heterologous co-expression of 4-coumaroyl:CoA ligase from Arabidopsis thaliana (4CL5) and HCBT. Here we report that, by exploiting the substrate flexibility of both 4CL5 and HCBT, we achieved rapid biosynthesis of more than 160 cinnamoyl, dihydrocinnamoyl, and benzoyl anthranilates in yeast upon feeding with both natural and non-natural cinnamates, dihydrocinnamates, benzoates, and anthranilates. Our results demonstrate the use of enzyme promiscuity in biological synthesis to achieve high chemical diversity within a defined class of molecules. This work also points to the potential for the combinatorial biosynthesis of diverse and valuable cinnamoylated, dihydrocinnamoylated, and benzoylated products by using the versatile biological enzyme 4CL5 along with characterized cinnamoyl-CoA- and benzoyl-CoA-utilizing transferases.

  2. Iridium mediated phenolic O-H activation and cyclometalation of 2-(naphthyl-1'-azo)-4-methylphenol - Formation of organoiridium complexes

    Indian Academy of Sciences (India)

    Rama Acharyya; Shie-Ming Peng; Gene-Hsiang Lee; Samaresh Bhattacharya

    2009-07-01

    Reaction of 2-(naphthyl-1'-azo)-4-methylphenol with [Ir(PPh3)3Cl] in refluxing ethanol in the presence of a base (NEt3) affords an organoiridium complex of type [Ir(PPh3)2(L)(H)], where L represents the coordinated 2-(naphthyl-1'-azo)-4-methylphenolate ligand. A similar reaction carried out in toluene affords the [Ir(PPh3)2(L)(H)] complex along with a similar complex of type [Ir(PPh3)2(L)Cl]. Structures of both the [Ir(PPh3)2(L)(H)] and [Ir(PPh3)2(L)Cl] complexes have been determined by X-ray crystallography. In both the complexes, 2-(naphthyl-1'-azo)-4-methylphenol is coordinated to iridium, via C-H activation at the 2' position of the naphthyl ring, as a dianionic tridentate C, N, O-donor and the two triphenylphosphines are trans. The organoiridium complexes show intense MLCT transitions in the visible region. Cyclic voltammetry on the [Ir(PPh3)2(L)(H)] and [Ir(PPh3)2(L)Cl] complexes shows a reversible Ir(III)-Ir(IV) oxidation respectively at 0.55 and 0.73 V vs SCE. An irreversible oxidation of the coordinated 2-(naphthyl-1'-azo)-4-methylphenolate ligand is observed above 1.0 V vs SCE and an irreversible reduction of the same is observed near -1.0 V vs SCE.

  3. Synthesis, Characterization, and Modeling of Naphthyl-Terminated sp Carbon Chains: Dinaphthylpolyynes

    CERN Document Server

    Cataldo, Franco; Cinquanta, Eugenio; Castelli, Ivano Eligio; Manini, Nicola; Onida, Giovanni; Milani, Paolo; 10.1021/jp104863v

    2010-01-01

    We report a combined study on the synthesis, spectroscopic characterization and theoretical modelling of a series of {\\alpha},{\\omega}-dinaphthylpolyynes. We synthesized this family of naphtyl-terminated sp carbon chains by reacting diiodoacetylene and 1-ethynylnaphthalene under the Cadiot-Chodkiewicz reaction conditions. By means of liquid chromatography (HPLC), we separated the products and recorded their electronic absorption spectra, which enabled us to identify the complete series of dinaphthylpolyynes Ar-C2n-Ar (with Ar = naphthyl group and n = number of acetilenic units) with n ranging from 2 to 6. The longest wavelength transition (LWT) in the electronic spectra of the dinaphthylpolyynes red shifts linearly with n away from the LWT of the bare termination. This result is also supported by DFT-LDA simulations. Finally, we probed the stability of the dinaphthylpolyynes in a solid-state precipitate by Fourier-transform infrared spectroscopy and by differential scanning calorimetry (DSC).

  4. Surface diffusion and surface crystal growth of tris-naphthyl benzene glasses

    Science.gov (United States)

    Ruan, Shigang; Zhang, Wei; Sun, Ye; Ediger, M. D.; Yu, Lian

    2016-08-01

    Surface self-diffusion coefficients of α,α,β-tris-naphthyl benzene (TNB) glasses have been measured using the method of surface grating decay. For 1000 nm wavelength gratings, the decay occurs by viscous flow at temperatures above Tg + 15 K, where Tg is the glass transition temperature (347 K), and by surface diffusion at lower temperatures. Surface diffusion of TNB is vastly faster than bulk diffusion, by a factor of 107 at Tg. Comparing TNB with other molecular glasses, each evaluated at its own Tg, we find that surface diffusion has a greater system-to-system variation than bulk diffusion, slowing down with increasing molecular size and intermolecular hydrogen bonding. Experimentally determined surface diffusion coefficients are in reasonable agreement with those from simulations and theoretical predictions. TNB and other molecular glasses show fast crystal growth on the free surface and the growth velocity is nearly proportional to the surface diffusion coefficient, indicating that the process is supported by surface mobility.

  5. POLYBINAPHTHYLS INCORPORATING (R)-20,'-BINAPHTHO-20-CROWN-6AND NAPHTHYL MOITIES

    Institute of Scientific and Technical Information of China (English)

    Dan Zhu; Yi-xiang Cheng; Xiao-wei Zou; Ling-wu Chen; Jin-feng Song; Zhi-liu Wang

    2006-01-01

    Chiral polymer was synthesized by the polymerization of (R)-6,6'-bistributylstannyl-2,2'-binaphtho-20-crown-6(M-1) with 1,4-dibromo-2,3-bisbutoxy-naphthyl (M-2) by Pd(PPh3)4 catalyzed Stille coupling reaction. Both monomer and polymer were analyzed by NMR, MS, FT-IR, UV, polarimetry, DSC-TGA, CD, fluorescent spectroscopy and GPC. The major difference between monomer and polymer is that a long wavelength Cotton Effect was observed for the polymer due to its more extended conjugation in the repeating unit and a highly rigid backbone in the polymer chain. Polymer has strong blue fluorescence due to the efficient energy migration from the extended π-electronic structure of the repeating unit of the polymer to the chiral binaphthyl core and is expected to have potential application in the materials of fluorescent sensors and chiral chromatographic packing for resolution ofracemic amino acid.

  6. Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.

    Science.gov (United States)

    Zheng, Jing; Qi, Jifeng; Cui, Sunliang

    2016-01-01

    A novel Fe-catalyzed olefin hydroamination with diazo compounds for accessing hydrazones has been developed. Diazo compounds are used as radical acceptors and can be trapped by the in situ generated alkyl radical toward C-N bond formation. The reaction conditions are mild, and the substrate scope is broad. Additionally, this hydroamination protocol is applicable for intramolecular reactions to construct diverse heterocycles.

  7. Asymmetric Synthesis of 2-Substituted Azetidin-3-ones via Metalated SAMP/RAMP Hydrazones.

    Science.gov (United States)

    Pancholi, Alpa K; Geden, Joanna V; Clarkson, Guy J; Shipman, Michael

    2016-09-01

    2-Substituted azetidin-3-ones can be prepared in good yields and enantioselectivities (up to 85% ee) by a one-pot procedure involving the metalation of the SAMP/RAMP hydrazones of N-Boc-azetidin-3-one, reaction with a wide range of electrophiles, including alkyl, allyl, and benzyl halides and carbonyl compounds, followed by hydrolysis using oxalic acid. PMID:27447363

  8. Synthesis and larvicidal and adult topical activity of some hydrazide-hydrazone derivatives against Aedes aegypti

    Science.gov (United States)

    A series of novel hydrazide-hydrazone derivatives were synthesized and evaluated for their larvicidal and adult topical activity against Aedes aegypti. The proposed structures of all the synthesized compounds were confirmed using elemental analysis, UV, IR, 1H-NMR, 13C-NMR and mass spectroscopy. Com...

  9. Robust naphthyl methacrylate monolithic column for high performance liquid chromatography of a wide range of solutes.

    Science.gov (United States)

    Jonnada, Murthy; El Rassi, Ziad

    2015-08-28

    An organic monolithic column based on the co-polymerization of 2-naphthyl methacrylate (NAPM) as the functional monomer and trimethylolpropane trimethacrylate (TRIM) as the crosslinker was introduced for high performance reversed-phase liquid chromatography (RPC). The co-polymerization was performed in situ in a stainless steel column of 4.6mm i.d. in the presence of a ternary porogen consisting of 1-dodecanol and cyclohexanol. This monolithic column (referred to as naphthyl methacrylate monolithic column or NMM column) showed high mechanical stability at relatively high mobile phase flow velocity indicating that the column has excellent hydrodynamic characteristics. To characterize the NMM column, different probe molecules including alkyl benzenes, and aniline, benzene, toluene and phenol derivatives were chromatographed on the column and the results in terms of k, selectivity and plate counts were compared to those obtained on an octadecyl silica (ODS) column in order to assess the presence of π-π and hydrophobic interactions on the NMM column under otherwise the same elution conditions. The NMM column offered additional π-π interactions with aromatic molecules in addition to hydrophobic interactions under RPC elution conditions. Run-to-run and column-to-column reproducibility of solute k values were evaluated, and percent relative standard deviation of column using shallow (30min at 1.0mL/min), steep (10min at 1.0mL/min) and ultra steep (1min at 3.0mL/min) linear gradient elution at increasing ACN concentration in the mobile phase using a 10cm×4.6mm i.d. column in case of shallow and steep linear gradients and a 3cm×4.6mm i.d. column for ultra steep linear gradient.

  10. Tetradentate metal complexes derived from cephalexin and 2,6-diacetylpyridine bis(hydrazone): Synthesis, characterization and antibacterial activity

    Science.gov (United States)

    Anacona, J. R.; Rangel, Victor; Loroño, Marcos; Camus, Juan

    2015-10-01

    Metal(II) coordination compounds of a hydrazone ligand (HL) derived from the condensation of cephalexin antibiotic with 2,6-diacetylpyridine bis(hydrazone) were synthesized. The hydrazone ligand and mononuclear [ML(H2O)2][PF6] (M(II) = Mn, Co, Ni, Zn) complexes were characterized by several techniques, including elemental and thermal analysis, molar conductance and magnetic susceptibility measurements, electronic, FT-IR, EPR and 1H NMR spectral studies. The cephalexin 2,6-diacetylpyridine bis(hydrazone) ligand HL behaves as a monoanionic tetradentate NNNO chelating agent. The biological applications of complexes have been studied on two bacteria strains (Escherichia coli and Staphylococcus aureus) by agar diffusion disc method.

  11. Density functional theory studies on the nano-scaled composites consisted of graphene and acyl hydrazone molecules

    Science.gov (United States)

    Ren, J. L.; Zhou, L.; Lv, Z. C.; Ding, C. H.; Wu, Y. H.; Bai, H. C.

    2016-07-01

    Graphene, which is the first obtained single atomic layer 2D materials, has drawn a great of concern in nano biotechnology due to the unique property. On one hand, acyl hydrazone compounds belonging to the Schif bases have aroused considerable attention in medicine, pharmacy, and analytical reagent. However, few understanding about the interaction between graphene and acyl hydrazone molecules is now available. And such investigations are much crucial for the applications of these new nano-scaled composites. The current work revealed theoretical investigations on the nano-scaled composites built by acyl hydrazone molecules loaded on the surface of graphene. The relative energy, electronic property and the interaction between the counterparts of graphene/acyl hydrazone composites are investigated based on the density functional theory calculations. According to the obtained adsorption energy, the formation of the nano-scaled composite from the isolated graphene and acyl hydrazone molecule is exothermic, and thus it is energetically favorable to form these nano composites in viewpoint of total energy change. The frontier molecular orbital for the nano composite is mainly distributed at the graphene part, leading to that the energy levels of the frontier molecular orbital of the nano composites are very close to that of isolated graphene. Moreover, the counterpart interaction for the graphene/acyl hydrazone composites is also explored based on the discussions of orbital hybridization, charge redistribution and Van der Waals interaction.

  12. Photoluminescence of (quinap)tricarbonylrhenium(I) chloride with QUINAP=1-(2-diphenylphosphino-1-naphthyl)isoquinoline

    Science.gov (United States)

    Kunkely, Horst; Vogler, Arnd

    2002-05-01

    The complex (quinap)Re I(CO) 3Cl, with quinap =1-(2-diphenylphosphino-1-naphthyl)isoquinoline, shows a luminescence at λ max=582 nm with φ=0.12 and τ=1.4 μs in solution (e.g., CH 2Cl 2) at r.t. It is suggested that this emission originates from a Re I to quinap metal-to-ligand charge transfer triplet.

  13. A 6% Benzoyl Peroxide Foaming Cloth Cleanser Used in the Treatment of Acne Vulgaris: Aesthetic Characteristics, Patient Preference Considerations, and Impact on Compliance with Treatment

    OpenAIRE

    Del Rosso, James Q.

    2009-01-01

    Objective: The study was conducted to evaluate the product attributes of a new benzoyl peroxide-containing foaming cloth cleanser and to compare the overall patient satisfaction of this product with two currently available benzoyl peroxide acne products (6% benzoyl peroxide cleanser and 4% benzoyl peroxide wash). Design: This was a randomized, single-blind study. Setting: Two clinical trial sites. Participants: Male and female subjects (N=193) aged 17 to 30 years with a history of acne vulgar...

  14. A facile BPO-mediated ortho-hydroxylation and benzoylation of N-alkyl anilines for synthesis of 2-benzamidophenols.

    Science.gov (United States)

    Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui

    2014-06-20

    A facile benzoyl peroxide (BPO) mediated ortho-hydroxylation and benzoylation of N-alkyl anilines for the synthesis of 2-benzamidophenols has been developed. The reaction tolerates a wide range of functional groups and is a good method for the straightforward synthesis of valuable 2-benzamidophenols in good yields under mild conditions.

  15. Spectroscopic and theoretical study of the o-vanillin hydrazone of the mycobactericidal drug isoniazid

    Science.gov (United States)

    González-Baró, Ana C.; Pis-Diez, Reinaldo; Parajón-Costa, Beatriz S.; Rey, Nicolás A.

    2012-01-01

    A complete and detailed study of the hydrazone obtained from condensation of antituberculous isoniazid (hydrazide of the isonicotinic acid, INH) and o-vanillin (2-hydroxy-3-methoxybenzaldehyde, o-HVa) is performed. It includes structural and spectroscopic analyses, comparing experimental and theoretical results. The compound was obtained as a chloride of the pyridinic salt (INHOVA +Cl -) but it will be referred as INHOVA for the sake of simplicity. The conformational space was searched and optimized geometries were determined both in gas phase and including solvent effects. Vibrational (IR and Raman), electronic and NMR spectra were registered and assigned with the help of computational methods based on the Density Functional Theory. Isoniazid hydrazones are good candidates for therapeutic agents against tuberculosis with conserved efficiency and lower toxicity and resistance than parent INH.

  16. SYNTHESIS AND BIOLOGICAL EVALUATION OF SOME PHENYL ACETIC ACID HYDRAZONE DERIVATIVES

    Directory of Open Access Journals (Sweden)

    Jadon Gunjan

    2011-11-01

    Full Text Available These products are the result of further operation after the derivation of three hydrazones derivative compounds-N'-(4-Chlorobenzylidene-2-phenylacetohydrazideN'-(2chlorobenzylidene-2-phenylacetohydrazideN'-(3, 4, 5-trimethoxybenzylidene-2-phenylacetohydrazideN'-(furan-2-ylmethylene-2-phenylacetohydrazideN'-(3, 4, 5-Trimethoxybenzylidene-2-phenylacetohydrazideN'-(1-(4-hydroxyhenyl ethylidene-2-phenylacetohydrazideThese make a considerable interest in process development of novel compounds with anticonvulsant, antidepressant, analgesic, and anti-inflammatory, anti platelet, anti malarial, antimicrobial, antimycobacterial, antitumoral, vasodilator, and antiviral and antis chistosomiasis activities. These all three compounds evaluated their biological activities. These observations have been guiding for the development of new hydrazones that possess varied biological activities.

  17. Integrated kinetic studies and computational analysis on naphthyl chalcones as mushroom tyrosinase inhibitors.

    Science.gov (United States)

    Radhakrishnan, Sini; Shimmon, Ronald; Conn, Costa; Baker, Anthony

    2015-10-01

    Melanin helps to protect skin from the damaging ultraviolet radiation of the sun. Tyrosinase, the key enzyme in melanogenesis is responsible for coloration of skin, hair and eyes. This enzyme is considered to have a critical role in governing the quality and economics of fruits and vegetables, as tyrosinase activity can lead to spoilage through browning. Development of tyrosinase inhibitors is a promising approach to combat hyperpigmentation conditions like ephelides, lentigo, freckles and post-inflammatory hyperpigmentation. In the present study, we have used a docking algorithm to simulate binding between tyrosinase and hydroxy-substituted naphthyl chalcone oxime compounds and studied the inhibition of tyrosinase. The results of virtual screening studies indicated that the estimated free energy of binding of all the docked ligands ranged between -19.29 and -9.12 kcal/mol. Two of the oximes synthesized were identified as competitive tyrosinase inhibitors and were found to be twice as potent as the control kojic acid with their IC50 values of 12.22 μM and 19.45 μM, respectively. This strategy of integrating experimental and virtual screening methods could give better insights to explore potent depigmentation agents. PMID:26318997

  18. Synthesis, Antifungal Activities and Qualitative Structure Activity Relationship of Carabrone Hydrazone Derivatives as Potential Antifungal Agents

    OpenAIRE

    Hao Wang; Shuang-Xi Ren; Ze-Yu He; De-Long Wang; Xiao-Nan Yan; Jun-Tao Feng; Xing Zhang

    2014-01-01

    Aimed at developing novel fungicides for relieving the ever-increasing pressure of agricultural production caused by phytopathogenic fungi, 28 new hydrazone derivatives of carabrone, a natural bioactive sesquisterpene, in three types were designed, synthesized and their antifungal activities against Botrytis cinerea and Colletotrichum lagenarium were evaluated. The result revealed that all the derivatives synthesized exhibited considerable antifungal activities in vitro and in vivo, which l...

  19. Direct Electrochemical Synthesis of Mono, Bi And Polynuclear Complexes of Some Hydrazide and Hydrazone Derivatives

    OpenAIRE

    El Asmy, A. A. [احمد فوزي عبد الحميد العصمي; Amin, R. R.; Al-Ansi, T. Y.; El-Shahat, M. F.

    2000-01-01

    Transition metal complexes of mono-, di- and tetrahydrazides and their hydrazones have been prepared by electrochemical techniques using the metal as a sacrifical anode. The electrochemical oxidation of Co, Ni and Cu in non-aqueous (acetone) solution ofbenzoic hydrazide (HBzH), malonic dihydrazide HiMH), 1,1,3,3' - propanetetracarbohydrazide (I-LiPTCH), acetyl sal-isoylhydrazone (FLASH), benzolsalisolyhdrazone (H2BSH), 1,3 - malonyldisalisoylhydrazone (H4MDSH) and 1,1,3,3' -propanetetrasaliso...

  20. Peroxo complexes of uranium(VI) with N-benzoyl urea and related ligands: synthesis, characterization and antifungal activity

    International Nuclear Information System (INIS)

    The peroxouranium(VI) complexes containing N-benzoyl urea and related ligands having composition (UO(O2)L-L(NO3)2).H2O (where L-L=N-benzoyl urea (NBU), N-benzoyl thiourea (NBT). N-benzoyl hydrazine (NBHz) and N-benzoyl hydroxylamine (NBHA)) are reported. The synthesized complexes have been characterized by various physico-chemical techniques, viz, elemental analysis, molar conductivity, magnetic susceptibility measurements, infra red, electronic, mass spectral and TGA/DTA studies. These studies revealed that the synthesized complexes are non-electrolytic and diamagnetic in nature. The ligands are bound to metal in a bidentate mode. Thermal analysis results provide conclusive evidence for the presence of water molecule in the complexes. Mass spectra confirm the molecular mass of the complexes. Antifungal activity of complexes revealed enhanced activity of complexes as compared to corresponding ligands. (author)

  1. Bach Adsorption Study for the Extraction of Silver Ions by Hydrazone Compounds from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Abdussalam Salhin Mohamad Ali

    2012-01-01

    Full Text Available Sorbent materials based on a hydrazone Schiff base compound, C14H11BrN4O4, were prepared either by immobilizing the ligand into sol-gel (SG1 or bonding to silica (SG2. The sorbent materials were characterized by FT-IR, EDX, SEM, TEM, and TGA. The sorption characteristics of a matrix of eight transition metal ions (Ag+, Cu2+, Co2+, Ni2+, Fe3+, Pb2+, Zn2+, and Mn2+ using batch method were studied. Several key parameters that affected the extraction efficiency such as pH, contact time, metal ions concentration, and gel size (for SGl were investigated and optimized. Under the optimized conditions, the physically immobilized hydrazone sorbent (SG1 exhibits highest selectivity towards Ag+ ions, while the chemically bonded hydrazone sorbent (SG2 exhibits high extraction for all metal ions tested. However, for practical applications such as the removal and preconcentration of Ag+, the physically immobilized sorbent (SG1 is preferred.

  2. In vitro nematicidal activity of aryl hydrazones and comparative GC-MS metabolomics analysis.

    Science.gov (United States)

    Eloh, Kodjo; Demurtas, Monica; Deplano, Alessandro; Ngoutane Mfopa, Alvine; Murgia, Antonio; Maxia, Andrea; Onnis, Valentina; Caboni, Pierluigi

    2015-11-18

    A series of aryl hydrazones were synthesized and in vitro assayed for their activity on the root-knot nematode Meloidogyne incognita. The phenylhydrazones of thiophene-2-carboxyaldehyde 5, 3-methyl-2-thiophenecarboxyaldehyde, 6, and salicylaldehyde, 2, were the most potent with EC50/48h values of 16.6 ± 2.2, 23.2 ± 2.7, and 24.3 ± 1.4 mg/L, respectively. A GC-MS metabolomics analysis, after in vitro nematode treatment with hydrazone 6 at 100 mg/L for 12 h, revealed elevated levels of fatty acids such as lauric acid, stearic acid, 2-octenoic acid, and palmitic acid. Whereas control samples showed the highest levels of monoacylglycerols such as monostearin and 2-monostearin, surprisingly, 2 h after treatment with hydrazone 6, nematodes excreted 3 times the levels of ammonia eliminated in the same conditions by controls. Thus, phenylhydrazones may represent a good scaffold in the discovery and synthesis of new nematicidal compounds, and a metabolomics approach may be helpful in understanding their mechanisms of toxicity and mode of action. PMID:26528945

  3. A study of intracellular iron metabolism using pyridoxal isonicotinoyl hydrazone and other synthetic chelating agents

    International Nuclear Information System (INIS)

    Rabbit reticulocytes with a high level of non-heme radioiron induced by preincubation with isonicotinic acid hydrazide and transferrin-bound 59Fe, were reincubated with various synthetic chelating agents and the amount of radioiron released from the cells was determined. Some substances, especially derivatives of pyridoxal or 2-hydroxybenzaldehyde and isonicotinic acid hydrazide or benzhydrazide, were found to mobilize significantly iron from 59Fe-labelled reticulocytes. Iron mobilizaiton from reticulocytes by pyridoxal isonicotinoyl hydrazone requires ATP to be produced by cells and is completely blocked by low temperatute (40C). Although the effect of desferrioxamine is also prevented by low temperature, modest iron mobilization due to this chelator seems to occur independently of ATP production in reticulocytes. Pyridoxal isonicotinoyl hydrazone mobilized iron mainly from mitochondria and in part also from ferritin. Although 2,2'-bipyridine seems to enter reticulocyte mitochondria and bind iron there, this chelator is not able to relaease iron either from mitochondria or from the cells. Reticulocytes with a high level of non-heme radioiron are envisaged as a useful system for testing biological effectiveness of various iron chelators. Pyridoxal isonicotinoyl hydrazone was shown to be an effective in vivo chelator since its adminstration to mice decreased 59Fe radioactivity in liver, spleen and kidney. (Auth.)

  4. Kinetics and Mechanistic Study of Permanganate Oxidation of Fluorenone Hydrazone in Alkaline Medium

    Directory of Open Access Journals (Sweden)

    Ahmed Fawzy

    2016-01-01

    Full Text Available The oxidation kinetics of fluorenone hydrazone (FH using potassium permanganate in alkaline medium were measured at a constant ionic strength of 0.1 mol dm−3 and at 25°C using UV/VIS spectrophotometer. A first-order kinetics has been monitored in the reaction of FH with respect to [permanganate]. Less-than-unit order dependence of the reaction on [FH] and [OH−] was revealed. No pronounced effect on the reaction rate by increasing ionic strength was recorded. Intervention of free radicals was observed in the reaction. The reaction mechanism describing the kinetic results was illustrated which involves formation of 1 : 1 intermediate complex between fluorenone hydrazones and the active species of permanganate. 9H-Fluorenone as the corresponding ketone was found to be the final oxidation product of fluorenone hydrazone as confirmed by GC/MS analysis and FT-IR spectroscopy. The expression rate law for the oxidation reaction was deduced. The reaction constants and mechanism have been evaluated. The activation parameters associated with the rate-limiting step of the reaction, along with the thermodynamic quantities of the equilibrium constants, have been calculated and discussed.

  5. Hydrazone based molecular glasses for solid-state dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Biscarbazole and terthiophene based molecular glasses with hydrazone functional goups (named respectively 2CzMPH and 3TDPH) have been synthesized and the thermal, optical and electrochemical properties have been studied. Differential scanning calorimetry characterizations confirm the metastable amorphous properties of these molecules with glass transition temperatures at 80 deg. C for the 3TDPH and 93 deg. C for the 2CzMPH. Their electrochemical properties have been studied and showed the effect of the conjugated hydrazone groups on the electronic delocalization of the structures. The concept of solid state dye-sensitized solar cells using hydrazone based molecular glasses has been verified with the elaboration of a SnO2: F/nc-TiO2/Ru-dye/2CzMPH /Au devices. Under full sunlight (98 mW/cm2, air mass 1.5) the I-V characterization of the device give a short circuit photocurrents Isc = 0.42 mA/cm2, open circuit voltage Voc = 500 mV with a fill factor of 0.35

  6. Nucleophilic Benzoylation Using a Mandelic Acid Dioxolanone as a Synthetic Equivalent of the Benzoyl Carbanion. Oxidative Decarboxylation of α-Hydroxyacids

    Directory of Open Access Journals (Sweden)

    José R. Pedro

    2004-04-01

    Full Text Available The synthesis of alkyl aryl ketones using a mandelic acid dioxolanone as a synthetic equivalent (Umpolung of the benzoyl carbanion is reported. The methodology involves alkylation of the mandelic acid dioxolanone, hydrolysis of the dioxolanone moiety in the alkylated products and oxidative decarboxylation of the resulting α-hydroxyacids. The last step is carried out in a catalytic aerobic way using a Co (III complex in the presence of pivalaldehyde under very mild conditions.

  7. Microwave assisted synthesis of some novel Flurbiprofen hydrazide- hydrazones as anti-HCV NS5B and anticancer agents

    Directory of Open Access Journals (Sweden)

    Sevil Aydın

    2013-01-01

    Full Text Available The synthesis of a new series of flurbiprofen hydrazide-hydrazones using microwave assisted reactions is described. Substituted aldehydes were condensed with flurbiprofen hydrazide by microwave irradiation to corresponding hydrazones. Synthesis of N’-[(4-bromothiophen-2-ylmethylidene]-2-(2-fluorobiphenyl-4-yl propanehydrazide (3o employing microwave assisted process resulted in higher yields, in faster time and with less chemical waste compared to traditional techniques. (2-fluorobiphenyl-4-yl-N’-(phenylmethylidenepropanehydrazide (3p andN’-[(2-chloro-6-fluorophenyl methylidene]-2-(2-fluorobiphenyl-4-ylpropanehydrazide (3s inhibited the growth of a leukemia cancercell line HL-60 (TB by 66.37% and an ovarian cancer cell line OVCAR-4 by 77.34% (singledose, 10μM, respectively at the National Cancer Institute (NCI, but had no significant ef-fect on a panel of sixty human tumor cell lines. Flurbiprofen hydrazide-hydrazones were weak inhibitors of hepatitis C virus NS5B polymerase activity with N’-[(5-ethylfuran-2-ylmethylidene]-2-(2-fluorobiphenyl-4-ylpropanehydrazide (3m being the most active of this series. Binding mode investigations of compound 3m suggested that allosteric pocket (AP-B may be the potential binding site for flurbiprofen hydrazones and these results will alsoassist in further derivatization of 3m using the green chemistry approach and improve the potency of S-flurbiprofen hydrazide hydrazones

  8. Investigation of the decomposition reaction and dust explosion characteristics of crystalline benzoyl peroxides

    Energy Technology Data Exchange (ETDEWEB)

    Lu, K.-T. [Department of Applied Chemistry and Materials Science, Chung Cheng Institute of Technology, National Defense University, Taoyuan 33509, Taiwan (China)], E-mail: ktlu@ndu.edu.tw; Chen, T.-C. [Department of Applied Chemistry and Materials Science, Chung Cheng Institute of Technology, National Defense University, Taoyuan 33509, Taiwan (China); Hu, K.-H. [Department of Occupational Safety and Health, Jen-Teh Junior College of Medicine, Nursing and Management, Miaoli, Taiwan (China)

    2009-01-15

    The benzoyl peroxide (BPO) is widely used in the chemical industry. Many catastrophes have been caused by its thermal instability or reactive incompatibility in storage or thermal decomposition reaction. Thus, its hazard characteristics have to be clearly identified. First of all, the differential scanning calorimeter (DSC) is used to measure the heat of decomposition reaction, which can contribute to understanding the reaction characteristics of benzoyl peroxide. The accelerating rate calorimeter (ARC) is used to measure the rates of temperature and pressure rises of decomposition reaction, and then the kinetics parameters are estimated. Furthermore, the MIKE 3 apparatus and the 20-l-Apparatus are used to measure and analyze the dust explosion characteristics of benzoyl peroxide under room temperature and atmospheric pressure. Finally, Semenov's thermal explosion theory is applied to investigate the critical runaway condition and the stability criterion of decomposition reaction, and to build the relationship of critical temperature, convective heat transfer coefficient, heat transfer surface area and ambient temperature. These results contribute to improving the safety in the reaction, transportation and storage processes of benzoyl peroxide.

  9. Benzoyl peroxide (BPO)-promoted oxidative trifluoromethylation of tertiary amines with trimethyl(trifluoromethyl)silane.

    Science.gov (United States)

    Chu, Lingling; Qing, Feng-Ling

    2010-09-14

    The benzoyl peroxide (BPO)-promoted oxidative functionalization of tertiary amines under transition-metal-free reaction conditions was developed. Various 1-trifluoromethylated tetrahydroisoquinoline derivatives were prepared by employing this method. It constitutes the first example of direct trifluoromethylation of tertiary amines.

  10. The Crystal Structure of N-Benzoyl-N'-(2-hydroxyethyl)-thiourea

    Institute of Scientific and Technical Information of China (English)

    XIAN Liang; ZHANG You-ming; WEI Tai-bao

    2004-01-01

    Thiourea compounds are excellent agents of bioactive substance. A number of biological activities are associated with substituted thiourea derivatives. A survey of literature reveals that some work has been reported on benzoylthiourea, which has found plenty of applications as a facile and simple ligand in determination of trances of the transition metal and as an available starting material in preparation of a wide variety of metal complexes. In recent years,N-benzoyl-N'-(2-hydroxyethyl)-thiourea has attracted considerable attention as selective reagents for the liquid-liquid extraction and preconcentration of platinum group metals and its antifungle activity.As a part of our works in studying coordination behaviours of N-benzoyl-N'-(2-hydroxyethyl)-thiourea and its bioactivity, in view of these observations and in continuation of our previous works on it, the present work was reported on the crystal structure of N-benzoyl-N'-( 2-hydroxyethyl)-thiourea.The crystals structure in the monoclinic system and space group of P21/c of N-benzoyl-N'-(2-hydroxyethyl)- thiourea (C10H12N2O2S) was determined from single-crystal X-ray diffraction analysis, a = 17.083 (3) A, b = 4.5490 (10) A, c = 14.279 (3)A, a = 90.00°, a = 102.44(3)°, a = 90.00 °, Ⅴ = 1083.6 (4)A3, Z = 4, Dc = 1.375 Mg/m3, i (Mo Ka)= 0.280 mm-1, F(000) =472. The final R and u R are 0.0399 and 0.0881 for 783 observed reflections [Ⅰ>26(Ⅰ)].Fig. 1 shows the molecular crystal structure of N-benzoyl-N'-(2-hydroxyethyl)thiourea indicating that the carbonyl and thiocarbonyl moieties are pointing in approximate opposite directions. The six atoms in the ring structure hydrogen bonded are almost in one plane. The N(2)-H proton pendant arm extends to the carbonyl oxygen atom, forms hydrogen bond between them.The existence of hydrogen bond in benzoyl-thiourea molecular six-membered ring structure has significant implications on coordination properties, suggest the possibility of intramolecular hydrogen bond

  11. SYNTHESIS OF POLYSTYRENE-BLOCK-POLYCAPROLACTAM WITH 1,1-BIS-(1'-NAPHTHYL) ETHYLENE AS A -DEACTIVATING AGENT

    Institute of Scientific and Technical Information of China (English)

    JIANG Rishan; QUIRK, Roderic P.

    1993-01-01

    The insertion of 1,1-bis (1'-naphthyl) ethylene monomer unit into the active polystyrene chain end greatly decreased the reactivity of the active chain end to the carbonyl group, and allowed the polymeric chain end to react only with the double bond in N-methacryloyl caprolactam, resulting in N-acylcaprolactam functionalized polystyrene in 100% conversion. New diblock copolymer of polystyrene with polycaprolactam was synthesized by direct reaction of the functionalized polymer with caprolactam without adding additional alkali metal or their caprolactam salts.

  12. N-(1-Naphthyl) Ethylenediamine Dinitrate: A New Matrix for Negative Ion MALDI-TOF MS Analysis of Small Molecules

    Science.gov (United States)

    Chen, Rui; Chen, Suming; Xiong, Caiqiao; Ding, Xunlei; Wu, Chih-Che; Chang, Huan-Cheng; Xiong, Shaoxiang; Nie, Zongxiu

    2012-09-01

    An organic salt, N-(1-naphthyl) ethylenediamine dinitrate (NEDN), with rationally designed properties of a strong UV absorbing chromophore, hydrogen binding and nitrate anion donors, has been employed as a matrix to analyze small molecules ( m/z interfering with MS analysis. For low-molecular-weight saccharides, the lowest detection limit achieved ranges from 500 amol to 5 pmol, depending on the molecular weight and the structure of the analytes. Additionally, the mass spectra in the lower mass range ( m/z analysis of small molecules with nitrate anion attachment.

  13. Efficacy and Tolerability of a Three-Step Acne System Containing a Solubilized Benzoyl Peroxide Lotion versus a Benzoyl Peroxide/Clindamycin Combination Product: An Investigator-Blind, Randomized, Parallel-Group Study

    OpenAIRE

    Green, Lawrence J.; Del Rosso, James Q.

    2008-01-01

    A brand three-step acne treatment system containing a solubilized 5% benzoyl lotion and a designated cleanser and moisturizer was compared with a brand benzoyl peroxide 5%/clindamycin 1% gel in subjects with acne vulgaris. The single-center, four-week study was investigator-blinded and randomized. The three-step acne treatment system proved to be comparable in efficacy and tolerability.

  14. Electrooxidation of carbo/thiocarbohydrazide and their hydrazone derivatives at a glassy carbon electrode

    Indian Academy of Sciences (India)

    G P Mamatha; B S Sherigara; K M Mahadevan

    2007-05-01

    Electrochemical oxidation of thio/carbohydrazide and their hydrazone derivatives Benzaldehyde thiocarbohydrazone [BTCH] diacetylene thiocarbohydrazone [DATCH] have been studied in Britton Robinson buffer in aqueous and nonaqueous media at a glassy carbon electrode. The effects of pH, sweep rate, concentration, temperature and surfactants have been studied. The complex bis (carbo/thiocabohydrazide) Zn(II) chloride was also subjected to voltammetric analysis in order to understand the reactivity both in free and metal bound states. The reaction conditions were optimized for the determination of above compounds in micrograms quantities by differential pulse voltammetry, analytical utility of this investigation is also highlighted.

  15. Synthesis and Crystal Structure of Binuclear Ytterbium Complex with Isonicotinoyl Hydrazone

    Institute of Scientific and Technical Information of China (English)

    卜显和; 鹿守亮; 陈巍; 张若桦

    2001-01-01

    The ytterbium complex of isonicotinoyl hydrazone was synthesized and the structure was determined by X-ray diffraction analysis. The crystal and molecular structure of the title complex [Yb2(L)3](OH)3 shows that the complex has two identical nine-coordinated ytterbium ions with each surrounded by N3O6 donor set. Two ytterbium ions are bridged by three phenolate oxygen atoms. The geometry around each ytterbium ions can be considered as a three-capped trigonal prism.

  16. Persistent Enhanced Conductivity Induced by Light Irradiation in Hydrazone-Polycarbonate Dispersions

    Science.gov (United States)

    Hirao, Akiko; Nishizawa, Hideyuki; Hosoya, Masahiro

    1994-04-01

    Photoinduced spins with extended lifetime have been observed in hydrazone-polycarbonate dispersions. The presence of the spins changed the electrical characteristics of the dispersions. Measurements of electrical current associated with thermal equilibration after photoexcitation in dispersions of diethylamino-benzaldehyde diphenylhydrazone (DEH) in polycarbonate have been carried out. Sandwiched layers of the dispersions were excited with absorbed light. After withdrawal of the light, a voltage was applied and the current was measured. Experimental data provide evidence that photoinduced spins are derived from trapped carriers.

  17. Kinetics and Mechanistic Study of Permanganate Oxidation of Fluorenone Hydrazone in Alkaline Medium

    OpenAIRE

    Fawzy, Ahmed; Saleh A. Ahmed; Althagafi, Ismail I.; Morad, Moataz H.; Khairou, Khalid S

    2016-01-01

    The oxidation kinetics of fluorenone hydrazone (FH) using potassium permanganate in alkaline medium were measured at a constant ionic strength of 0.1 mol dm−3 and at 25°C using UV/VIS spectrophotometer. A first-order kinetics has been monitored in the reaction of FH with respect to [permanganate]. Less-than-unit order dependence of the reaction on [FH] and [OH−] was revealed. No pronounced effect on the reaction rate by increasing ionic strength was recorded. Intervention of free radicals was...

  18. The synthesis and unusual luminescence behavior of 1,1-dimethyl-2,5-di(2-naphthyl)-3,4-diphenylsilole

    International Nuclear Information System (INIS)

    The synthesis and spectroscopic characteristics, including quantum yield and luminescence lifetime, of 1,1-dimethyl-2,5-di(2-naphthyl)-3,4-diphenylsilole are described. Unlike most aryl substituted siloles, the compound displays very efficient luminescence in solution, but does not exhibit aggregation-induced emission. In addition, the solution-phase emission intensity demonstrates an unusual time dependence. - Highlights: ► Novel naphthyl-substituted silole with large luminescence quantum yield. ► The silole exhibits aggregation-caused quenching. ► The compound displays a time-dependent emission intensity. ► Luminescence lifetimes are reported.

  19. Profile of clindamycin phosphate 1.2%/benzoyl peroxide 3.75% aqueous gel for the treatment of acne vulgaris

    Directory of Open Access Journals (Sweden)

    Nguyen TA

    2015-10-01

    Full Text Available Tuyet A Nguyen,1,2 Lawrence F Eichenfield1,31Division of Pediatric and Adolescent Dermatology, Rady Children's Hospital, San Diego, CA, 2Department of Medicine, Albert Einstein College of Medicine, Bronx, NY, 3Department of Dermatology, University of California, San Diego, La Jolla, CA, USA Abstract: Acne vulgaris is a common and chronic skin disease, and is a frequent source of morbidity for affected patients. Treatment of acne vulgaris is often difficult due to the multifactorial nature of this disease. Combination therapy, such as that containing clindamycin and benzoyl peroxide, has become the standard of care. Several fixed formulations of clindamycin 1% and benzoyl peroxide of varying concentrations are available and have been used with considerable success. The major limitation is irritation and dryness from higher concentrations of benzoyl peroxide, and a combination providing optimal efficacy and tolerability has yet to be determined. Recently, a clindamycin and benzoyl peroxide 3.75% fixed combination formulation was developed. Studies have suggested that this formulation may be a safe and effective treatment regimen for patients with acne vulgaris. Here, we provide a brief review of acne pathogenesis, benzoyl peroxide and clindamycin, and profile a new Clindamycin-BP 3.75% fixed combination gel for the treatment of moderate-to-severe acne vulgaris. Keywords: acne vulgaris, benzoyl peroxide, clindamycin

  20. Hydrazone based luminescent receptors for fluorescent sensing of Cu{sup 2+}: Structure and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Soma, E-mail: sommukh445@yahoo.co.in [Department of Environmental Science, University of Kalyani, Kalyani, Nadia, 741235 West Bengal (India); Mal, Palash [Department of Environmental Science, University of Kalyani, Kalyani, Nadia, 741235 West Bengal (India); Stoeckli-Evans, Helen [Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel (Switzerland)

    2014-11-15

    Two new luminescent hydrazones, HL1 and HL2 were investigated for selective and sensitive fluorescent recognition of Cu{sup 2+} in aqueous medium (CH{sub 3}CN/H{sub 2}O (1:4, v/v) solvent system) with a 1:1 binding stoichiometry. The emission peak of HL (λ{sub em}=405 nm), undergoes significant quenching upon complexation with Cu{sup 2+}. The quantum yields for the receptors and in situ formed Cu{sup 2+} complexes were determined. The absorption ratiometric analysis was carried out in presence of various metal ions to confirm the selectivity of the receptors towards Cu{sup 2+}. They were able to detect Cu{sup 2+} with a ∼0.9 µM detection limit as indicated by fluorimetric measurements. The molecular structures of the receptors were determined by single crystal X-ray diffraction analysis. - Highlights: • Small molecule luminescent hydrazones were developed for recognition of Cu{sup 2+}. • Selectivity and sensitivity were studied spectroscopically in aqueous medium. • Binding stoichiometry, association constant, and quantum yields were calculated. • Receptors have low detection limit for Cu{sup 2+}. • Crystal structures of the receptors were solved by X-ray diffractometry.

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

    Science.gov (United States)

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

    2015-01-01

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

  2. Synthesis and characterization of bio-based polyurethane from benzoylated cashewnut husk tannins

    Indian Academy of Sciences (India)

    A J Sunija; S Siva Ilango; K P Vinod Kumar

    2014-05-01

    Benzoylated tannin prepared by benzoylation of cashewnut husk tannin, was treated with hexame-thylenediisocyanate in the presence of 1,4-butanediol as an extender to prepare thermosetting polyurethane. The sample was characterized using FT–IR and 13C NMR spectra. Thermal, morphological, physico-chemical and electrical properties were also investigated. Polyurethane obtained was sensitive to moisture but had very good solvent resistance. Results show that g of the sample is 260 °C and thermal decomposition begins at 280 °C. The dielectric constant varies randomly with temperature. The conductivity of the sample was found to increase with increase in temperature but shows random variation at 90 and 150 °C

  3. Design, Synthesis and Biological Activities of Novel Benzoyl Hydrazines Containing Pyrazole

    Institute of Scientific and Technical Information of China (English)

    闫涛; 于淑晶; 刘鹏飞; 刘卓; 王宝雷; 熊丽霞; 李正名

    2012-01-01

    In search of environmentally benign compounds with high biological activity, low toxicity and low resistance, 8 novel benzoyl hydrazines containing pyrazole were designed and synthesized. All compounds were characterized by I H NMR spectra and HRMS. The preliminary results of biological activity assessment indicated that most of title compounds exhibited certain insecticidal activities against M),thimna separata Walker at 200 mg L-1 but excellent fungicidal activities against six fungus at 50 mg L-1, which were better than the control.

  4. Synthesis and antiproliferative activity of novel 2-aryl-4-benzoyl-imidazole derivatives targeting tubulin polymerization

    OpenAIRE

    Chen, Jianjun; Li, Chien-Ming; Wang, Jin; Ahn, Sunjoo; Wang, Zhao; Lu, Yan; Dalton, James T.; Miller, Duane D.; Li, Wei

    2011-01-01

    We previously reported the discovery of 2-aryl-4-benzoyl-imidazoles (ABI-I) as potent antiproliferative agents for melanoma. To further understand the structural requirements for the potency of ABI analogs, gain insight in the structure-activity relationships (SAR), and investigate metabolic stability for these compounds, we report extensive SAR studies on the ABI-I scaffold. Compared with the previous set of ABI-I analogs, the newly synthesized ABI-II analogs have lower potency in general, b...

  5. Benzoylation of anisole catalyzed by Ga/SBA-15 supported on carbon nanofibers composite

    OpenAIRE

    EL BERRICHI, F. Z.; Pham-Huu, C.; CHERIF, L.; Louis, B; M. J.; Ledoux

    2011-01-01

    Carbon nanofiber composite (C-NFC) shows several advantages compared to the conventional supports which are usually employed in catalysis such as alumina, silica or activated charcoal. In this present work we have developed a new hybrid catalyst consisting of SBA-15 supported on C-NFC for the benzoylation reaction. The structured materials allow an important improvement of the reaction hydrodynamics and favor the mass transfer between the active phase and the reactants, especially in the liqu...

  6. Synthesis and Conformational Assignment of N-(E-Stilbenyloxymethylenecarbonyl-Substituted Hydrazones of Acetone and o-(m- and p- Chloro- (nitro- benzaldehydes by Means of and NMR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Przemysław Patorski

    2013-01-01

    Full Text Available Eighteen new N-(E-stilbenyloxyalkylcarbonyl-substituted hydrazones of ortho- (meta- and para- chloro- (nitro- benzaldehydes 1–18 and two analogous hydrazones of acetone 19-20 were prepared. The stereochemical behavior of 1–18 in dimethyl-d6 sulfoxide solution has been studied by NMR and NMR techniques, using spectral data of 19 and 20 as supporting material. The E-geometrical isomers and cis-/trans-amide conformers have been found for these hydrazones. Energy barriers of isomers are reported.

  7. Analysis of benzoyl-peroxide and formaldehyde as dental allergens by FT-SPR method

    Science.gov (United States)

    Bako, J.; Kelemen, M.; Hegedus, Cs

    2013-12-01

    In parallel with the appearance of new dental materials the number of induced allergic diseases increases. Based on this fact more sensitive detection of allergens is major importance. The Fourier-Transform Surface Plasmon Resonance (FT-SPR) is a sensitive, broadly applicable real-time method for analysing thin layers of materials on gold surfaces. FT-SPR measurement is performed at a fixed angel of incident light, and reflectivity is measured over a range of wavelength in the near infrared. In our study the formaldehyde and benzoyl-peroxide were examined as members of the most common dental allergens by FT-SPR spectroscopy. The aim of this work was the investigation of the suitability of this method for the direct detection of these materials. Different concentrations of formaldehyde and benzoyl-peroxide solutions were measured from this purpose. The individual spectra were measured for all of the solutions, and calibration curves were calculated for the materials for the possibility of the determination of an unknown concentration. In addition, series measurements were performed whereby the association and dissociation properties of formaldehyde or benzoyl-peroxide were described. The results of the experiments proved that the method capable to measure directly these materials and can provide appropriate calibration curves for determination of unknown concentrations.

  8. Theoretical Studies on Thermal Decomposition of Benzoyl Peroxide in Ground State

    Institute of Scientific and Technical Information of China (English)

    SUN Cheng-ke; YANG Si-ya; LIN Xue-fei; MA Si-yu; LI Zong-he

    2003-01-01

    Systematic studies of the thermal decomposition mechanism of benzoyl peroxide(BPO) in ground state, leading to various intermediates, products and the potential energy surface(PES) of possible dissociation reactions were made computationally. The structures of the transition states and the activation energies for all the paths causing the formation of the reaction products mentioned above were calculated by the AM1 semi-empirical method. This method is shown to to be one predict correctly the preferred pathway for the title reaction. It has been found that in ground state, the thermal decomposition of benzoyl peroxide has two kinds of paths. The first pathway PhC(O)O-OC(O)Ph→PhC(O)O*→Ph*+CO2 produces finally phenyl radicals and carbon dioxide. And the second pathway PhC(O)OO-C(O)Ph→PhC(O)OO*+PhC(O)*→PhC(O)*+O2→Ph*+CO+O2, via which the reaction takes place only in two steps, produces oxygen and PhC(O)* radicals, and the further thermal dissociation of PhC(O)* is quite difficult because of the high activation energy in ground state. The calculated activation energies and reaction enthalpies are in good agreement with the experimental values. The research results also show that also the thermal dissociation process of the two bonds or the three bonds for the benzoyl peroxide doesn′t take place in ground state.

  9. PREPARATION, CHARACTERIZATION AND ADHESIVE PROPERTIES OF DI-AND TRI-HYDROXY BENZOYL CHITOSAN NANOPARTICLES

    Institute of Scientific and Technical Information of China (English)

    Mohamad Taghi Taghizadeh; Ali Bahadori

    2013-01-01

    Modified chitosans with 3,4-di-hydroxy benzoyl groups (CS-DHBA) and 3,4,5-tri-hydroxy benzoyl groups (CSTHBA) were synthesized and their nanoparticles were prepared via ionic crosslinking by tripolyphosphate (TPP).The chemical structure and degree of substitution (DS) of di-and tri-hydroxy benzoyl chitosans are determined by FTIR and 1HNMR spectroscopy.The morphology of particles,size distribution and zeta potential of nanoparticles were studied using transmission electron microscopy (TEM) and dynamic light scattering (DLS),respectively.The mean diameters of particles of CS-DHBA and CS-THBA nanoparticles were 144 nm and 112 nm,respectively.It was found that the particles size decreased slightly with decreasing the degree of substitution and increasing degree of deacetylation (DD),due to increasing of ionic crosslinking of ammonium ions and polyanions of tripolyphosphate.The TEM photographs of CS-DHBA show that these particles are spherical in shape,but the particles of CS-THBA show some aggregation.In addition,the solubility and the mechanical properties of the prepared modified chitosans and their nanoparticles were evaluated for bio-adhesive and biomedical application.The results of solubility tests indicated that,the CS-DHBA and CS-THBA have higher solubility at pH > 7 comparing to CS.Also the CS-DHBA,CS-THBA and their nanoparticles showed a significant adhesive capacity and enhanced tensile strength and tensile modulus.

  10. Efficacy and safety of topical nadifloxacin and benzoyl peroxide versus clindamycin and benzoyl peroxide in acne vulgaris: A randomized controlled trial

    Directory of Open Access Journals (Sweden)

    S Choudhury

    2011-01-01

    Full Text Available Background : Topical therapy with comedolytics and antibiotics are often advocated for mild and moderate severity acne vulgaris. Nadifloxacin, a new fluoroquinolone with anti-Propionibacterium acnes activity and additional anti-inflammatory activity, is approved for use in acne. This randomized controlled assessor blind trial compared the clinical effectiveness and safety of eight weeks therapy of nadifloxacin 1% versus clindamycin 1% as add-on therapy to benzoyl peroxide (2.5% in mild to moderate grade acne. Materials and Methods : The efficacy parameters were changes in the total, inflammatory and non-inflammatory lesion counts, Investigator Global Assessment (IGA, and Cardiff Acne Disability Index (CADI scales from baseline to study end (eight weeks. All treatment emergent dermatological adverse events were evaluated for safety assessment. Results : Out of 84 randomized subjects (43-nadifloxacin arm and (41-clindamycin 42 in nadifloxacin group, 37 in clindamycin group completed the study. Reduction from baseline of total, inflammatory and non-inflammatory lesion counts were highly significant in both the groups (P<0.0001, but between group differences were not significant. Significant improvement in CADI and IGA scales were noted in both groups. Between-group comparison showed no significant differences. The safety and tolerability profile of both regimens were good and statistically comparable. Conclusions: Topical nadifloxacin, a new fluoroquinolone is effective, tolerable, and safe for mild o moderate facial acne. Its clinical effectiveness is comparable to clindamycin when used as add-on therapy to benzoyl peroxide.

  11. Organic light-emitting diodes based on 9-(2-naphthyl)anthracene derivatives with a triphenylsilane unit as the deep-blue emitting layer

    Energy Technology Data Exchange (ETDEWEB)

    Song, Ji Young; Lee, Seul Bee [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Lee, Seok Jae [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Kim, Young Kwan, E-mail: kimyk@wow.hongik.ac.kr [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Yoon, Seung Soo, E-mail: ssyoon@skku.edu [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2015-02-27

    A series of 9-(2-naphthyl)anthracene derivatives with a triphenylsilane unit, which prevented molecular aggregation and self-quenching effect, was designed and synthesized. By using various bridges between the 9-(2-naphthyl)anthracene group and the triphenylsilane unit, five deep-blue emitters were obtained and applied as non-doped emitting materials in organic light-emitting diodes (OLEDs) with a device structure of indium–tin-oxide (ITO) (180 nm)/4,4-bis(N-(1-naphthyl)-N-phenylamino)biphenyl (NPB) (50 nm)/emitting materials (30 nm)/4,7-diphenyl-1,10-phenanthroline (Bphen) (30 nm)/lithium quinolate (Liq) (2 nm)/Aluminium (100 nm). All devices showed blue emissions and their electroluminescence efficiencies are sensitive to the structural changes of the emitting materials. In particular, a device using 9-(2-naphthalenyl)-10-[6-(triphenylsilyl)-2-naphthalenyl]-anthracene (4) exhibited high luminous, power and quantum efficiencies of 2.28 cd/A, 1.42 lm/W and 2.40% at 20 mA/cm{sup 2}, respectively, and this device showed the deep blue emission with the CIE coordinates of (0.16, 0.10) at 6.0 V. - Highlights: • We synthesized 9-(2-naphthyl)anthracene derivatives with a triphenylsilane unit. • We study the conjugation-length effect on the electroluminescence properties. • The bulky triphenylsilane-anthracene derivatives show resistance to self-aggregation.

  12. Structure-activity relationships of novel salicylaldehyde isonicotinoyl hydrazone (SIH analogs: iron chelation, anti-oxidant and cytotoxic properties.

    Directory of Open Access Journals (Sweden)

    Eliška Potůčková

    Full Text Available Salicylaldehyde isonicotinoyl hydrazone (SIH is a lipophilic, tridentate iron chelator with marked anti-oxidant and modest cytotoxic activity against neoplastic cells. However, it has poor stability in an aqueous environment due to the rapid hydrolysis of its hydrazone bond. In this study, we synthesized a series of new SIH analogs (based on previously described aromatic ketones with improved hydrolytic stability. Their structure-activity relationships were assessed with respect to their stability in plasma, iron chelation efficacy, redox effects and cytotoxic activity against MCF-7 breast adenocarcinoma cells. Furthermore, studies assessed the cytotoxicity of these chelators and their ability to afford protection against hydrogen peroxide-induced oxidative injury in H9c2 cardiomyoblasts. The ligands with a reduced hydrazone bond, or the presence of bulky alkyl substituents near the hydrazone bond, showed severely limited biological activity. The introduction of a bromine substituent increased ligand-induced cytotoxicity to both cancer cells and H9c2 cardiomyoblasts. A similar effect was observed when the phenolic ring was exchanged with pyridine (i.e., changing the ligating site from O, N, O to N, N, O, which led to pro-oxidative effects. In contrast, compounds with long, flexible alkyl chains adjacent to the hydrazone bond exhibited specific cytotoxic effects against MCF-7 breast adenocarcinoma cells and low toxicity against H9c2 cardiomyoblasts. Hence, this study highlights important structure-activity relationships and provides insight into the further development of aroylhydrazone iron chelators with more potent and selective anti-neoplastic effects.

  13. Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.

    Science.gov (United States)

    Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko

    2015-09-01

    We prepared hydrazone-palladium(II) complexes of [PdCl2(HL(n))] and [PdCl(L(n))] (n = 1-3) by the reaction of [PdCl2(cod)] or [PdCl2(PhCN)2] and the hydrazone ligands of HL(n) {N'-(pyridin-2-ylmethylene)picolinohydrazide (HL(1)), N'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide (HL(2)), and N'-[(6-methylpyridin-2-yl)methylene]picolinohydrazide (HL(3))}. The structures of the complexes were determined by X-ray analysis. The hydrazone ligands had κN(py1),κN(imine) and κN(amidate),κN(py2) bidentate coordination modes in [PdCl2(HL(n))] (1, n = 1; 2, n = 2) and in [PdCl2(HL(3))] (3), respectively. In contrast, tridentate coordination modes of κN(py1),κN(imine),κN(py2) and κN(py1),κN(amidate),κN(py2) were observed in [PdCl(L(n))] (4, n = 1; 5, n = 2) and in [PdCl(L(n))] (6, n = 1; 7, n = 2; 8, n = 3). Thermal conversion of complexes 1-3 to complexes 6-8 proceeded in acetonitrile. Complexes 4 and 5 were obtained from complexes 1 and 2, respectively, in a basic acetonitrile solution under dark conditions. Complex 4 reverted immediately to complex 1 in an acidic acetonitrile solution that included hydrochloric acid. However, under room light, in the basic acetonitrile solution that included trimethylamine, complex 4 converted photochemically to complex 6. The thermochromic or vapochromic structure conversion of these complexes also occurred in the solid state. On heating at 180 °C, the color of the crystals of complexes 1, 2, and 3 changed from yellow to orange in the solid state. (1)H NMR and/or UV-vis absorption spectroscopy confirmed that the orange complexes 6-8 were produced. The reddish-orange crystals of complexes 4 and 5 were exposed to hydrogen chloride vapor to yield the yellow products of complexes 1 and 2, respectively. PMID:26305775

  14. Synthesis, spectroscopic, thermal and antifungal studies on lanthanum(III) and praseodymium(III) derivatives of 1,1-diacetylferrocenyl hydrazones

    Science.gov (United States)

    Sengupta, S. K.; Pandey, O. P.; Rai, Anita; Sinha, A.

    2006-09-01

    A series of new coordination complexes of La(III) and Pr(III) with hydrazones, derived from 1,1-diacetylferrocene and different aromatic acid hydrazides have been synthesized and characterized by elemental analyses, electrical conductance, magnetic moment, IR, 1H NMR, UV-vis spectra and molar conductance. The thermal behaviour of the complexes under non-isothermal condition was investigated by TG and DTG techniques. The antifungal activity of hydrazones and their corresponding complexes were also investigated.

  15. Synthesis and preliminary evaluation of antinociceptive activity of novel isoxazolyl-aryl-hydrazones; Sintese e avaliacao preliminar de atividade antinociceptiva de novas isoxazolil-aril-hidrazonas

    Energy Technology Data Exchange (ETDEWEB)

    Reis, Silvio Leandro Goncalves Bomfim; Almeida, Valderes Moraes de; Almeida, Gleybson Correia de; Boaviagem, Karinna Moura; Mendes, Charles Christophe du Barriere; Faria, Antonio Rodolfo de, E-mail: rodolfo@ufpe.b [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Ciencias Farmaceuticas; Goes, Alexandre Jose da Silva; Magalhaes, Laudelina Rodrigues; Silva, Teresinha Goncalves da [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Antibioticos

    2011-07-01

    New 2-isoxazoline aldehydes were synthesized, in good yields, from cycloadduct of the 1,3-dipolar cycloaddition reaction between endocyclic enecarbamate and carboethoxyformonitrile oxide (CEFNO). Condensation of these 2-isoxazoline aldehydes with several phenyl-hydrazines produced new isoxazolyl-aryl-hydrazones, which showed low toxicity and excellent antinociceptive activity, when compared to dipyrone. The antinociceptive activity of isoxazolyl-aryl-hydrazones was performed using the acetic acid-induced mice abdominal constrictions test. (author)

  16. Synthesis and anticandidal evaluation of new benzothiazole derivatives with hydrazone moiety.

    Science.gov (United States)

    Yurttaş, Leyla; Kaplancıklı, Zafer Asım; Göger, Gamze; Demirci, Fatih

    2016-10-01

    In this study, we have performed the synthesis of new N'-(arylidene)-4-[(benzothiazol-2-yl)thio]butanoylhydrazide derivatives (3a-s) bearing azole moiety and hydrazone group in a lipophilic structural framework. The target compounds were prepared by a three step synthetic procedure starting from 2-mercaptobenzothiazole. The structures of the target compounds were elucidated by IR, (1)H NMR, (13)C NMR spectra and elemental analysis. The antifungal activity of the obtained compounds has been determined against a number of clinic and fluconazole-resistant Candida strains by using microdilution method. Compounds (3a-3s) exhibited anticandidal activity in different ratios varying between the range of MIC: 50 and 200 µg/mL. PMID:26247354

  17. Derivative spectrophotometric determination of uranium (VI using diacetyl monoxime isonicotinoyl hydrazone (DMIH

    Directory of Open Access Journals (Sweden)

    ChandraSekhar Reddy Gadikota

    2011-08-01

    Full Text Available Uranium (VI forms a yellow coloured water soluble complex with diacetyl monoxime isonicotinoyl hydrazone (DMIH reagent in acidic buffer of pH 3.25 with ?max at 364 nm. The molar absorptivity and sandell’s sensitivity are 1.63 X 10 4 L.mol -1.cm-1 and 0.00307692 µg/cm 2, respectively. The Beer’s law validity range is 1.19–14.28 µg/mL. Uranium (VI forms (M:L 1:1 complex with DMIH and stability constant of the complex is 4.928 X 106 .The derivative spectrophotometric determination of U (VI was carried out by measuring peak height method. The developed derivative spectrophotometric method was employed for the determination of uranium (VI in rock and synthetic samples. The effect of various diverse ions was also studied.

  18. Synthesis, Characterization and Properties of Lanthanide Nitrate Complexes with Isonicotinoyl Hydrazone

    Institute of Scientific and Technical Information of China (English)

    卜显和; 高育新; 陈巍; 刘河; 张若桦

    2001-01-01

    Some light-lanthanide nitrate complexes were obtained by the reaction of lanthanide nitrate with isonicotinoyl hydrazone (HL=N,N′-diisonicotinoyl-2-hydroxy-5-methyl-isophthalaldehyde dihydrazone) in methanol. The general formula of the complexes is Ln(L)(NO3)2*nH2O(Ln=La, Ce, Pr, Nd and Sm; n=0, 1). The complexes were characterized by elemental analyses, conductance, thermal analyses, UV and IR spectra. The results show that the lanthanide ion in each complex is coordinated by oxygen and nitrogen atoms of the ligand (L) and the oxygen atoms of the nitrate. The amide-oxygen atoms of L coordinate to the Ln ions in its keto-form. The magnetic susceptibility of the neodymium complex shows that the magnetic data obey Curie-Weiss law in the range of 75K<T<300K.

  19. Biosynthesis of benzoylformic acid from benzoyl cyanide with a new bacterial isolate of Brevibacterium sp. CCZU12-1.

    Science.gov (United States)

    He, Yu-Cai; Pan, Xue-He; Xu, Xiao-Feng; Wang, Li-Qun

    2014-03-01

    Brevibacterium sp. CCZU12-1 with high nitrilase activity could effectively hydrolyze benzoyl cyanide into benzoylformic acid. After the culture optimization, the preferred carbon sources, nitrogen sources, and inducer were glucose (10 g/L), a composite of peptone (10 g/L) plus yeast extract (2.5 g/L), and ε-caprolactam (2.0 mM), respectively. After the reaction optimization, the optimum reaction temperature, reaction pH, organic cosolvent, and metal ion were 30 °C, 7.0, ethanol (2%, v/v), and Ca(2+) (0.1 mM), respectively. At biotransformation of 120-mM benzoyl cyanide for 24 h, the yield of benzoylformic acid reached 91.8%. Moreover, the microbial nitrilase from Brevibacterium sp. CCZU12-1 could hydrolyze various nitriles, and it significantly exhibited high nitrilase activity against benzoyl cyanide, 3-cyanopyridine, and α-cyclohexyl-mandelonitrile. PMID:24504691

  20. 2-Benzoyl-4-chloro­aniline thio­semi­carbazone

    OpenAIRE

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

    2014-01-01

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

  1. Solvent extraction of lanthanide ions with 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HPMBP)

    International Nuclear Information System (INIS)

    The solvent extraction of Er(3), Yb(3) and Lu(3) by 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5(HPMBP or HL) in carbon tetrachloride has been studied as a function of the pH of the aqueous phase and the concentration of the extractant in the organic phase. The equation for the extraction reaction has been suggested as: Ln3++3HL(0) rightleftdblarrow LnL3(0)+3H+(Ln3+ = Er, Yb, Lu). The extraction equilibrium constants (Kex) and two-phase stability constants (β3x) for the LnL3 complexes have been evaluated. (Author)

  2. Auto oxidation of plutonium with 3-phenyl-4-benzoyl-5-isoxazolone as an extractant

    International Nuclear Information System (INIS)

    Extraction of Pu (III) using 3-phenyl-4-benzoyl-5-isoxazolone (HPBI) was investigated in the presence of several reducing agents. It was observed that Pu (IV) was the dominating species extracted even though the aqueous phase comprised exclusively of Pu (III) initially. While aqueous reducing agents such as hydrazinium nitrate, hydroxyl ammonium nitrate, di-ethyl hydroxyl amine had no effect in suppressing the oxidation of Pu (III); organophilic t-butyl hydroquinone was found to be an effective holding reductant. The observed rate constants for the oxidation reaction were calculated and were found to be independent on the hydrogen ion concentration. (author)

  3. Photocarcinogenesis and toxicity of benzoyl peroxide in hairless mice after simulated solar radiation

    DEFF Research Database (Denmark)

    Lerche, Catharina M; Philipsen, Peter A; Poulsen, Thomas;

    2010-01-01

    Topical benzoyl peroxide (BPO) gel has long been used to treat acne vulgaris and has recently been combined with clindamycin (BPO-clin). No skin malignancies have been reported after clinical use of BPO, but there has been concern about the possible carcinogenicity of BPO alone and in combination...... with UV radiation. BPO can promote skin tumorigenesis in a mouse skin chemical carcinogenesis model. As acne vulgaris is frequently localized on sun-exposed areas, we investigated whether BPO or BPO-clin accelerates photocarcinogenesis in combination with simulated solar radiation (SSR) in 12 groups of 25...

  4. Benzoyl peroxide increases UVA-induced plasma membrane damage and lipid oxidation in murine leukemia L1210 cells.

    Science.gov (United States)

    Ibbotson, S H; Lambert, C R; Moran, M N; Lynch, M C; Kochevar, I E

    1998-01-01

    Ultraviolet A radiation induces oxidative stress and cell damage. The purpose of this investigation was to examine whether ultraviolet A-induced cell injury was amplified by the presence of a non-ultraviolet A absorbing molecule capable of generating free radicals. Benzoyl peroxide was used as a lipid soluble potential radical-generating agent. Plasma membrane permeability assessed by trypan blue uptake was used to measure cell damage in murine leukemia L1210 cells. Cells were irradiated with a pulsed Nd/YAG laser at 355 nm using 0-160 J per cm2. The ratio of the fluence-response slope in the presence of 40 microM benzoyl peroxide to that of irradiated controls was 4.3 +/- 2.6. Benzoyl peroxide alone or benzoyl peroxide added after irradiation did not cause increased trypan blue uptake. The ratio of the fluence-response slopes in the presence of 40 microM benzoyl peroxide to that of irradiated controls was 4.7 +/- 1.4 when cells were irradiated (0-43 J per cm2) with a xenon lamp, filtered to remove wavelengths butylated hydroxytoluene, vitamin E, and trolox, a water-soluble vitamin E derivative. Lipid oxidation, assessed as thiobarbituric acid reactive substances, was significantly increased in samples irradiated with ultraviolet A in the presence of benzoyl peroxide at fluences >34 J per cm2. The increased trypan blue uptake and thiobarbituric acid reactive substances were inhibited by butylated hydroxytoluene. These results suggest that agents not absorbing ultraviolet A radiation may enhance ultraviolet A-initiated oxidative stress in cells. PMID:9424093

  5. Sensitive fluorescence probes for dihydrogen phosphonate anion based on calix[4]arene bearing naphthol-hydrazone groups

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    t-Butyl and t-pentylcalix[4]arenes bearing two 2-naphthol-1-hydrazone groups at the lower rim were synthesized,and showed excited-state intermolecular proton transfer fluorescent signal with basic anion.They are more sensitive to dihydrogen phosphate anion than to fluoride anion,although the latter has stronger basicity.Compared with t-butylcalix[4]arene bearing two 2-naphthol-1-hydrazone groups,t-pentylcalix[4]arenes derivative has a larger fluorescent difference between dihydrogen phosphate and fluoride anion.This finding may be used to analyze dihydrogen phosphate anion in the presence of fluoride anion and provide a new approach for designing fluorescence probes that are highly selective for H2PO4-.

  6. Nickel(II Complexes of Hydrazone of Isoniazid and Their Magneto-Spectral, Electrochemical, Thermal and Antimicrobial Investigations

    Directory of Open Access Journals (Sweden)

    Surendra Prasad

    2008-01-01

    Full Text Available The synthesis of novel nickel(II complexes with new ligand derived from hydrazone of isoniazid has been reported. The complexes have general compositions [Ni(L2X2] or [Ni(L3](ClO42, where L = N-isonicotinamido-furfuraldimine (INH-FFL and X=Cl− or NCS−. The ligand hydrazone behaves as neutral bidentate (N and O donor through the carbonyl oxygen and azomethine nitrogen. On the basis of elemental analysis, molecular weight determinations, magnetic susceptibility/moment, thermogravimetric, electrochemical, and spectroscopic studies, the new complexes have been characterized with octahedral geometry. The antibacterial and antifungal studies of the present complexes show that they are moderate antibacterial and antifungal agents.

  7. Synthesis, Characterization and Antioxidative Activity of Lanthanide Complexes with 3,5-Dibenzyloxybenzoyl-2,4-Dihydroxybenzaldehyde-Hydrazone

    Institute of Scientific and Technical Information of China (English)

    张玲; 唐宁; 房建国; 谭民裕

    2003-01-01

    In order to study the coordination character of the rare earth elements with hydrazones and the antioxidative activity of the ligand and the complexes, 3,5-dibenzyloxybenzoyl-2,4-dihydroxybenzaldehyde hydrazone (H2L), a new chelating ligand, and its six lanthanide complexes, Ln (HL)(OAc)2*n H2O [Ln=La(Ⅲ), Sm(Ⅲ), Eu(Ⅲ), Gd(Ⅲ), Tb(Ⅲ), Dy(Ⅲ); n=2, 4, 5], were synthesized and characterized on the basis of elemental analyses, IR and 1H NMR spectra, molar conductivity. The results show that the lanthanide ions are coordinated by O, O and N donors of the phenol (Ar-OH(A)) without deprotonation, the enol oxygen of the hydrazone group (NCO-) and the azomethine group (CH=N) from the ligand respectively, and by the four carboxylic oxygen from two acetate groups (CH3COO-) in the bidentate form. The scavenging activity of the ligand and the six lanthanides complexes on the 2,2-Diphenyl-1-picrylhydrazyl (DPPH) free radicals is also evaluated. The results show that both the ligand and the complexes have the scavenging activity on the DPPH radicals, and the scavenging activity of the complexes is better than the ligand.

  8. PPA-SiO2 Catalyzed Multi-component Synthesis of N-[α-(β-Hydroxy-α-naphthyl)(benzyl)]O-Alkyl Carbamate Derivatives

    Institute of Scientific and Technical Information of China (English)

    SHATERIAN,Hamid Reza; HOSSEINIAN,Asghar; GHASHANG,Majid

    2009-01-01

    Silica-supported polyphosphoric acid (PPA-SiO2) was found to be an efficient catalyst for the multi-component condensation reaction of benzaldehydes,2-naphthol,and methyl/benzyl carbamate to afford the corresponding N-[α-(β-hydroxy-α-naphthyl)(benzyl)]O-alkyl carbamate derivatives in good to excellent yields.This new approach consistently has the advantage of short reaction time,high conversions,clean reaction profiles,and simple experimental and work-up procedures.

  9. Determination of organophosphorus pesticide residues in vegetables by an enzyme inhibition method using α-naphthyl acetate esterase extracted from wheat flour*

    OpenAIRE

    WANG, JUN-LIANG; Xia, Qing; Zhang, An-Ping; Hu, Xiao-Yan; Lin, Chun-mian

    2012-01-01

    The widespread use of organophosphorus pesticides (OPs) poses a great threat to human health and has made the detection of OP residues in food an important task, especially in view of the fact that easy and rapid detection methods are needed. Because OPs have inhibitory effects on the activity of α-naphthyl acetate esterase (ANAE) in plants, in this work we evaluated the possibility of detecting OPs in vegetables with ANAE extracted from commercial flour. The limits of detection (LODs) obtain...

  10. Novel antimicrobial superporous cross-linked chitosan/pyromellitimide benzoyl thiourea hydrogels.

    Science.gov (United States)

    Mohamed, Nadia A; Abd El-Ghany, Nahed A; Fahmy, Mona M

    2016-01-01

    In this work, chitosan (CS) was cross-linked with different amounts of pyromellitimide benzoyl thiourea moieties. The structure of the cross-linked CS was confirmed by elemental analyses, FTIR and (1)H- NMR spectroscopy. The cross-linking process proceeds via reacting of the amino groups of CS with the isothiocyanate groups of the N,N'-bis [4-(isothiocyanate carbonyl)phenyl] pyromellitimide cross-linker. The amount of the cross-linker was varied with respect to CS to produce four new pyromellitimide benzoyl thiourea cross-linked CS (PIBTU-CS) hydrogels designated as PIBTU-CS-1, PIBTU-CS-2, PIBTU-CS-3, and PIBTU-CS-4 of increasing cross-linking degree percent of 11, 22, 44 and 88%, respectively. The scanning electron microscopy observation indicates the extremely porous structure of the hydrogels. XRD results showed that the crystallinity of CS was decreased upon cross-linking. The four hydrogels exhibit a higher antibacterial activity on Bacillus subtilis and Streptococcus pneumoniae as Gram positive bacteria and against Escherichia coli as Gram negative bacteria and higher antifungal activity on Aspergillus fumigatus, Syncephalastrum racemosum and Geotricum candidum than that of the parent CS as shown from their higher inhibition zone diameters and their lower MIC values. The swell ability of the hydrogel as well as their antimicrobial activity increased with increasing cross-linking density.

  11. Design, synthesis, and anti-melanogenic effects of (E-2-benzoyl-3-(substituted phenylacrylonitriles

    Directory of Open Access Journals (Sweden)

    Yun HY

    2015-08-01

    Full Text Available Hwi Young Yun,1 Do Hyun Kim,1 Sujin Son,1 Sultan Ullah,1 Seong Jin Kim,1 Yeon-Jeong Kim,2 Jin-Wook Yoo,1 Yunjin Jung,1 Pusoon Chun,2 Hyung Ryong Moon1 1College of Pharmacy, Pusan National University, Busan, 2College of Pharmacy, Inje University, Gimhae, Republic of Korea Background: Tyrosinase is the most prominent target for inhibitors of hyperpigmentation because it plays a critical role in melaninogenesis. Although many tyrosinase inhibitors have been identified, from both natural and synthetic sources, there remains a considerable demand for novel tyrosinase inhibitors that are safer and more effective. Methods: (E-2-Benzoyl-3-(substituted phenylacrylonitriles (BPA analogs with a linear β-phenyl-α,β-unsaturated carbonyl scaffold were designed and synthesized as potential tyrosinase inhibitors. We evaluated their effects on cellular tyrosinase activity and melanin biosynthesis in murine B16F10 melanoma cells and their ability to inhibit mushroom tyrosinase activity. Results: BPA analogs exhibited inhibitory activity against mushroom tyrosinase. In particular, BPA13 significantly suppressed melanin biosynthesis and inhibited cellular tyrosinase activity in B16F10 cells in a dose-dependent manner. A docking study revealed that BPA13 had higher binding affinity for tyrosinase than kojic acid. Conclusion: BPA13, which possesses a linear β-phenyl-α,β-unsaturated carbonyl scaffold, is a potential candidate skin-whitening agent and treatment for diseases associated with hyperpigmentation. Keywords: (E-2-benzoyl-3-(substituted phenylacrylonitriles, melanogenesis, tyrosinase inhibitor

  12. A novel surfactant S-benzoyl-N,N-diethyldithiocarbamate synthesis and its flotation performance to galena

    Science.gov (United States)

    Ma, Xin; Hu, Yuan; Zhong, Hong; Wang, Shuai; Liu, Guangyi; Zhao, Gang

    2016-03-01

    In this paper, a novel dithiocarbamate compound, S-benzoyl-N,N-diethyldithiocarbamate (BEDTC), was synthesized via one-pot reaction of diethylamine, carbon disulfide, sodium hydroxide and benzoyl chloride using abundant carbon disulfide as a solvent. Its flotation performance and adsorption mechanism on the galena was first investigated by flotation tests, adsorption quantity measurements, FTIR spectra, X-ray photoelectron spectra (XPS) and density functional theory (DFT) calculation. The flotation results illustrated that BEDTC exhibited stronger collecting power than the conventional sulphide collectors such as sodium diethyl dithiocarbamate (SEDTC) and sodium isobutyl xanthate (SIBX) and superior selectivity for galena against sphalerite. The adsorption data demonstrated that the adsorption affinity of BEDTC to galena was stronger than that of SEDTC and SIBX, and the preferable pH range for BEDTC adsorption on galena surfaces was 6-10. The results of FTIR spectra and XPS indicated that the interaction of BEDTC with galena may be dominated by the chemical adsorption, which was further confirmed by DFT calculation. BEDTC probably acted as a bidentate ligand, bonding with lead through the thiol sulfur and carbonyl oxygen atoms to form two distinct adsorption geometries, one with the same Pb atom to form a six-membered ring complex, and the other with two different Pb atoms to form a "bullet" shape complex.

  13. n-Benzoyl-n-phenylhydroxylamine impregnated Amberlite XAD-4 beads for selective removal of thorium

    Energy Technology Data Exchange (ETDEWEB)

    Chandramouleeswaran, S.; Ramkumar, Jayshree, E-mail: jrk@barc.gov.in

    2014-09-15

    Highlights: • XAD-4 was impregnated with a commonly used gravimetric agent n-benzoyl-n-phenylhydroxylamine. • Sorbent characterized by different techniques to understand the pore filling of XAD-4. • Sorption of Th was fast (30 min) and unaffected by initial solution pH. • Selectivity achieved by tuning the conditions of the mixture solution. - Abstract: n-Benzoyl-n-phenylhydroxylamine impregnated Amberlite XAD-4 beads were used for the removal of Th(IV) from a mixture of ions. The impregnated XAD was characterized using different techniques like weight and colour change, IR spectra, surface area and pore size measurements to confirm the presence of n-BPHA within the macroreticular resin structure. The experimental conditions were optimized to make the separation fast and selective. It was seen that the maximum sorption was achieved in the pH range of 3–7.5 and uptake was nearly complete within half an hour. The results obtained in the present study were subjected to extensive modelling in order to get a complete understanding of the sorption process. It is seen that the maximum uptake was calculated to be 500 mg/g and has very fast kinetics it was seen that the process is chemisorption. It was further deduced from the modelling that the overall sorption process was controlled dominantly by external mass transfer. Considering the simplicity this procedure, the present study has a possible application for the removal of thorium from different mixtures.

  14. Comparison of a chlorhexidine and a benzoyl peroxide shampoo as sole treatment in canine superficial pyoderma.

    Science.gov (United States)

    Loeffler, A; Cobb, M A; Bond, R

    2011-09-01

    The clinical and antibacterial efficacy of two shampoos used as a sole antibacterial treatment in dogs with superficial pyoderma were investigated and compared. In a randomised, partially blinded study, a 3 per cent chlorhexidine gluconate shampoo (Chlorhex 3; Leo Animal Health) was compared against a 2.5 per cent benzoyl peroxide shampoo (Paxcutol; Virbac) in 22 dogs with superficial pyoderma. Dogs were washed two to three times weekly with a 10-minute contact time over 21 days. Clinical scores and bacterial counts were assessed on days 1, 8 and 22 and compared within and between treatment groups; overall response was assessed at the end of the study. Twenty dogs completed the study; 15 (68.2 per cent) showed an overall clinical improvement and the clinical signs resolved in three chlorhexidine-treated dogs. In the chlorhexidine-treated group, scores for papules/pustules (P<0.001), investigator-assessed pruritus (P=0.003), total bacterial counts (P=0.003) and counts for coagulase-positive staphylococci (P=0.003) were reduced after three weeks. Scores and bacterial counts did not vary significantly in the benzoyl peroxide-treated group.

  15. Design, synthesis, and insecticidal activities of new N-benzoyl-N'-phenyl-N'-sulfenylureas.

    Science.gov (United States)

    Sun, Ranfeng; Zhang, Yonglin; Chen, Li; Li, Yongqiang; Li, Qingshan; Song, Haibin; Huang, Runqiu; Bi, Fuchun; Wang, Qingmin

    2009-05-13

    A series of new N'-alkylaminothio, N'-arylaminothio (or dithio), and N',N'-thio (or dithio) derivatives of N-benzoyl-N'-phenylureas were designed and synthesized as insect-growth regulators with sulfur dichloride or disulfur dichloride as the original reactant. The new compounds were identified by (1)H nuclear magnetic resonancee (NMR) spectroscopy, elemental analysis [or high-resolution mass spectrometry (HRMS)], and single-crystal X-ray diffraction analysis. The X-ray results demonstrated that there exist N-S-N or N-S-S-N bonds in these new compounds. In comparison to the parent N-benzoyl-N'-phenylureas, these derivatives displayed better solubility. The insecticidal activities of the target compounds were evaluated. The results of bioassays showed that compounds 1-24 retained the larvicidal activities of the corresponding benzoylphenylureas (BPUs) and some compounds exhibited better larvicidal activities against oriental armyworm and mosquitoes than the parent BPUs. The larvicidal activities of the selected target compounds 1 and 24 against diamondback moth were better than that of the corresponding parent compounds E and triflumuron. PMID:19326865

  16. Comparison of a chlorhexidine and a benzoyl peroxide shampoo as sole treatment in canine superficial pyoderma.

    Science.gov (United States)

    Loeffler, A; Cobb, M A; Bond, R

    2011-09-01

    The clinical and antibacterial efficacy of two shampoos used as a sole antibacterial treatment in dogs with superficial pyoderma were investigated and compared. In a randomised, partially blinded study, a 3 per cent chlorhexidine gluconate shampoo (Chlorhex 3; Leo Animal Health) was compared against a 2.5 per cent benzoyl peroxide shampoo (Paxcutol; Virbac) in 22 dogs with superficial pyoderma. Dogs were washed two to three times weekly with a 10-minute contact time over 21 days. Clinical scores and bacterial counts were assessed on days 1, 8 and 22 and compared within and between treatment groups; overall response was assessed at the end of the study. Twenty dogs completed the study; 15 (68.2 per cent) showed an overall clinical improvement and the clinical signs resolved in three chlorhexidine-treated dogs. In the chlorhexidine-treated group, scores for papules/pustules (P<0.001), investigator-assessed pruritus (P=0.003), total bacterial counts (P=0.003) and counts for coagulase-positive staphylococci (P=0.003) were reduced after three weeks. Scores and bacterial counts did not vary significantly in the benzoyl peroxide-treated group. PMID:21831997

  17. Synthesis, structure and photophysical properties of a binuclear Zn(II) complex based on 8-hydroxyquinoline ligand with naphthyl unit

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Guozan, E-mail: yuanguozan@163.com [School of Chemistry and Chemical Engineering, Anhui University of Technology, Maanshan 243002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, Fujian (China); Shan, Weilong; Chen, Jiangbo; Tian, Yulan; Wang, Haitao [School of Chemistry and Chemical Engineering, Anhui University of Technology, Maanshan 243002 (China)

    2015-04-15

    A 2-substituted-8-hydroxyquinoline ligand (E)-2-[2-naphthyl-ethenyl]-8-hydroxyquinoline (HL) was synthesized and characterized by LC–MS, NMR spectroscopy, elemental analysis and single-crystal X-ray diffraction. Using a solvothermal method, a binuclear complex [Zn{sub 2}L{sub 4}] (1) was fabricated by self-assembly of Zn(II) ion with ligand HL. X-ray structural analysis shows that the binuclear Zn(II) units are linked into 1D chain along the b axis via aromatic stacking. The coordination assembly of zinc salt and HL in solutions was investigated by UV–vis and photoluminescence (PL). Additionally, we also studied the thermal stability and photophysical properties of (fluorescent emission and lifetime) complex 1. The experimental results show that the complex 1 emits yellow luminescence in the solid state. - Highlights: • Ligand HL and binuclear complex 1 were synthesized and characterized. • Complex 1 features a 2D network constructed by non-covalent interactions. • Complex 1 emits yellow luminescence in the solid state.

  18. KrF pulsed laser ablation of thin films made from fluorinated heterocyclic poly(naphthyl-imide)s.

    Science.gov (United States)

    Damaceanu, Mariana-Dana; Rusu, Radu-Dan; Olaru, Mihaela Adriana; Timpu, Daniel; Bruma, Maria

    2012-06-01

    Among the many aspects of laser ablation, development of conical structures induced by excimer laser radiation on polyimide surfaces has been thoroughly investigated. Because the mechanisms that produce these surface textures are not fully understood, two theories, photochemical bond breaking and thermal reaction, have been introduced. Here we present the first study of ultraviolet laser ablation behavior of thin films made from fluorinated poly(naphthyl-imide)s containing oxadiazole rings and the investigation of the mechanism of cone-like structure formation at two laser fluences, 57 and 240 mJ/cm(2). The morphology of thin films before and after laser ablation was studied by using various spectroscopy techniques such as Fourier transform infrared spectroscopy, time-resolved emission and X-ray photoelectron spectroscopy, atomic force microscopy, and contact angle measurements. All of the data suggest impurities shielded at low fluence radiation (57 mJ/cm(2)) and a radiation hardening process at high value fluence (240 mJ/cm(2)), which are proposed as the main mechanisms for laser ablation of our polyimide films, and we bring evidence to support them.

  19. Effect on serum sex hormone levels, immune index of benzoyl peroxide combining with Hirudoid on acne vulgaris

    Institute of Scientific and Technical Information of China (English)

    Lin Li; Jie Sun; The authorsi-heng Yu; Yun-hao Hu

    2015-01-01

    Objective:To observe the effect on serum sex hormone levels, immune index of benzoyl peroxide combining with Hirudoid on acne vulgaris.Methods: 185 patients with acne vulgaris included in the study the authorsre divided into the observation group (85 cases) and the control group (80 cases), the observation group was given the treatment of benzoyl peroxide combining with Hirudoid, and the control group was treated with benzoyl peroxide. To observe the change of hormones (T, FSH, LH, E2) and immune indexes (IgG, IgA, IgM, C3, C4, IL-2, sIL-2R) after 1 month of treatment.Results: After treatment, IgG, C3, C4, IL-2 of the observation group the authorsre significantly different than those before trteatment(P0.05); After treatment, IgG, C3, C4, IL-2 level of two groups the authorsre statistically significant (P<0.05).Where the authorsre no significant difference on sex hormones betthe authorsen the two groups before and after treatment.Conclusion:Benzoyl peroxide combining with Hirudoid has certain effects on immune function for the patients with acne vulgaris, and may be related to therapeutic effect, but no obvious effect on sex hormone.

  20. Coordination diversity of new mononucleating hydrazone in 3d metal complexes: Synthesis, characterization and structural studies

    Directory of Open Access Journals (Sweden)

    RAJESH S. BALIGAR

    2006-12-01

    Full Text Available The mononucleating hydrazone ligand LH3, a condensation product of salicyloylhydrazine and (2-formylphenoxyacetic acid, was synthesized and its coordination behavior with first row transition metal(II ions was investigated by isolating and elucidating the structure of the complexes using elemental analysis, conductivity and magnetic susceptibility measurements, as well as IR, 1H-NMR, electronic and EPR spectral techniques. The ligand forms mononuclear metal(II complexes of the type [CoLH(H2O2], [NiLH(H2O2, [CuLH] and [ZnLH]. The ligand field parameters, Dq, B and b values, in the case of the cobalt and nickel complexes support not only the octahedral geometry around the metal ion, but also imply the covalent nature of the bonding in the complexes. The EPR study revealed the presence of a spin exchange interaction in the solid copper complex and the covalent nature of the bonding. The 1H-NMR study of the zinc(II complex indicated the non-involvement of the COOH group in the coordination. The physico-chemical study supports for the presence of octahedral geometry around cobalt(II, nickel(II and tetrahedral geometry around copper(II and zinc(II ions.

  1. Radiation induced conductivity of polycarbonate doped with different concentrations of aromatic hydrazone DEH

    Science.gov (United States)

    Vladimir, Saenko; Novikov, Lev; Tyutnev, Andrey

    Radiation induced conductivity (RIC) of polymers widely used on present-day spacecraft plays is an important factor affecting their charging by the hot plasma of the Earth’s magnetosphere. As a result, researchers pay special attention to laboratory investigations of RIC in polymers excited by 10 -100 keV electrons prevailing in the hot magnetospheric plasma, including auroral radiation. Due to fluctuating fluxes of plasma electrons and especially of auroral electrons, it is very important to know how RIC depends on time. In our report we present RIC results observed in polycarbonate (PC) molecularly doped with aromatic hydrazone DEH (10 to 30 mas. percent) under continuous irradiation with 50 keV electrons. It has been found that RIC behavior in this material differs markedly from what we observed earlier in most of the polymers. After beginning of the stepwise irradiation, the RIC of PC+DEH rises fast to the quasistationary level but unlike common polymers, does not fall by an order of magnitude, instead it starts to increase further thus causing the accumulating space charge to decrease. This fact combined with the confirmed high radiation and temperature tolerance allows us to recommend this material for application on the spacecraft outer surface and specifically, as a thermal blanket.

  2. Synthesis, characterization and density functional theory study of low cost hydrazone sensitizers

    KAUST Repository

    G. Al-Sehemi, A.

    2015-01-18

    © 2015 Chemical Society of Ethiopia The 2-{4-[2-benzylidenehydrazino]phenyl}ethylene-1,1,2-tricarbonitrile (System 1), 2-{4-[2-(1- naphthylmethylene)hydrazino]phenyl}ethylene-1,1,2-tricarbonitrile (System 2) and 2-{4-[2-(9-anthrylmethylene)- hydrazino]phenyl}ethylene-1,1,2-tricarbonitrile (System 3) were synthesized by direct tricyanovinylation of hydrazones. The bathochromic shift in absorption spectra has been observed by increasing the solvent polarity. The FTIR spectra of these new dyes exhibited three important absorption bands. The first band centered near 3260 cm-1 in System 1 while 3208 cm-1 and 3211 cm-1 in System 2 and System 3 for the vNH absorption, respectively. The second band is a sharp absorption band in the region of 2212-2209 cm-1, which was attributed to the cyano group absorption. The third is an absorption band in the region of 1611-1603 cm-1 ascribed for the C=N. Density functional theory (DFT) calculation of relative energies, relative enthalpies and free energies shows that E isomers are the most stable except System 3 in which the most stable is Z isomers. The conformational energy profile shows two maxima near (-90 and 90°) while three local minima observed at (-180, 0 and 180) for N1-N2-C1-C2 torsional angle. The highest occupied molecular orbitals (HOMOs) are localized on the whole molecules while lowest unoccupied molecular orbitals (LUMOs) are distributed on the tricarbonitrile.

  3. Synthesis, characterization and studies on the nonlinear optical parameters of hydrazones

    Science.gov (United States)

    Naseema, K.; Sujith, K. V.; Manjunatha, K. B.; Kalluraya, Balakrishna; Umesh, G.; Rao, Vijayalakshmi

    2010-07-01

    Three hydrazones, 2-(4-methylphenoxy)- N'-[(1E)-(4-nitrophenyl)methylene]acetohydrazide (compound-1), 2-(4-methylphenoxy)- N'-[(1E)-(4-methylphenyl)methylene]acetohydrazide ((compound-2) and N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-2-(4-ethylphenoxy) acetohydrazide(compound-3) were synthesized and their third order nonlinear optical properties were investigated using a single beam z-scan technique with nanosecond laser pulses at 532 nm. Open aperture data obtained from the three compounds indicates two photon absorption at this wavelength. The nonlinear refractive index n2, the nonlinear absorption coefficient β, the magnitude of the effective third order susceptibility χ(3), the second order hyperpolarizability γh and the coupling factor ρ have been estimated. The values obtained are comparable with the values obtained for 4-methoxy chalcone derivatives and dibenzylidene acetone derivatives. Among the compounds studied, compounds-1 and 3 exhibited the better optical power limiting behaviour at 532 nm. Our studies suggest that compounds-1, 2 and 3 are potential candidates for optical device applications such as optical limiters and optical switches.

  4. DFT MODELING OF BENZOYL PEROXIDE ADSORPTION ON α-Cr2O3 (0001) SURFACE

    Science.gov (United States)

    Maldonado, Frank; Stashans, Arvids

    2016-04-01

    Density functional theory (DFT) within the generalized gradient approximation (GGA) has been used to investigate possible adsorption configurations of benzoyl peroxide (BPO) molecule on the chromium oxide (α-Cr2O3) (0001) surface. Two configurations are found to lead to the molecular adsorption with corresponding adsorption energies being equal to -0.16 and -0.48eV, respectively. Our work describes in detail atomic displacements for both crystalline surface and adsorbate as well as discusses electronic and magnetic properties of the system. The most favorable adsorption case is found when the chemical bond between one of the molecular oxygens and one of the surface Cr atoms has been formed.

  5. Identification of Minor Benzoylated 4-Phenylcoumarins from a Mammea neurophylla Bark Extract

    Directory of Open Access Journals (Sweden)

    Bach Tai Dang

    2015-09-01

    Full Text Available Through dereplication analysis, seven known Mammea coumarins were identified in a fraction obtained from Mammea neurophylla dichloromethane bark extract selected for its ability to prevent advanced glycation end-product (AGE formation. Among them, a careful examination of the NMR dataset of pedilanthocoumarin B led to a structural revision. Inspection of LC-DAD-MSn chromatograms allowed us to predict the presence of four new compounds, which were further isolated. Using spectroscopic methods (1H-, 13C- and 2D-NMR, HRMS, UV, these compounds were identified as new benzoyl substituted 4-phenylcoumarins (iso-pedilanthocoumarin B and neurophyllol C and 4-(1-acetoxypropylcoumarins cyclo F (ochrocarpins H and I.

  6. ADSORPTION OF 4-METHYLANILINE IN AQUEOUS SOLUTION BY BENZOYL- CONTAINING POLYMERIC ADSORBENTS

    Institute of Scientific and Technical Information of China (English)

    Gen-cheng Zhang; Hai-suo Wu; Zheng-hao Fei

    2005-01-01

    New polymeric adsorbents (ZH-02, ZH-03) containing benzoyl group for adsorbing and removing 4-methylaniline from its aqueous solutions were prepared. Studies on the isotherms and the comparison of desorption conditions evidenced through the adsorption of 4-methylaniline in water onto ZH-02 and ZH-03, namely that there are chemisorption's transitions at a proper higher temperature. Mini-column adsorption studies of 4-methylaniline on XAD-4, ZH-02 and ZH-03 at 288 K show that the breakthrough capacities are 2.39, 2.99 and 3.19 mmol/g and the total capacities are 3.45, 3.92 and 4.35 mmol/g, respectively.

  7. Comparative evaluation of retinoic acid, benzoyl peroxide and erythromycin lotion in acne vulgarils

    Directory of Open Access Journals (Sweden)

    Dogra A

    1993-01-01

    Full Text Available Ninety three patients suffering from acne vulgaris were treated with 0.05% retinoic acid (23 patients, 10% benzyoyl peroxide (24 patients, 2% erythromycin lotin (25 patients and 50% glycerine in methylated spirit (21 patients used as a control, for a period of 6 weeks. The patients were evaluated at 2 weeks and 6 weeks by spot counting of the lesions and diagrammatic representations. Good to excellent results were obtained in 69.6% of patients of erythromycin lotion. Retinoic acid was more effective in reducing noninflammatory lesions (75.2% whereas inflammatory lesions showed better response (73.6% with erythromycin lotion and benzoyl peroxide was almost equally effective in both types of lesions.

  8. Photocarcinogenesis and toxicity of benzoyl peroxide in hairless mice after simulated solar radiation

    DEFF Research Database (Denmark)

    Lerche, Catharina M; Philipsen, Peter A; Poulsen, Thomas;

    2010-01-01

    Topical benzoyl peroxide (BPO) gel has long been used to treat acne vulgaris and has recently been combined with clindamycin (BPO-clin). No skin malignancies have been reported after clinical use of BPO, but there has been concern about the possible carcinogenicity of BPO alone and in combination...... with UV radiation. BPO can promote skin tumorigenesis in a mouse skin chemical carcinogenesis model. As acne vulgaris is frequently localized on sun-exposed areas, we investigated whether BPO or BPO-clin accelerates photocarcinogenesis in combination with simulated solar radiation (SSR) in 12 groups of 25...... hairless female C3.Cg/TifBomTac-immunocompetent mice. BPO or BPO-clin was applied topically to the back five times each week, followed by SSR three times each week (2, 3, or 4 standard erythema doses) 3-4 h later, for 365 days or until death. Generally BPO and BPO-clin did not accelerate the time to first...

  9. Synthesis, Characterization of α-Oxopentanedioic Acid-Isonicotinoyl Hydrazone Rare Earth-Complexes and Relaxivity of Gd-complex

    Institute of Scientific and Technical Information of China (English)

    杨正银; 杨汝栋

    2004-01-01

    α-Oxopentanedioic acid isonicotinoyl hydrazone (H2L) and its five rare earth complexes were synthesized with a view to further investigating MRI activities of the polycarboxylic Schiff base complexes. The complexes were characterized on the basis of elemental analyses, IR, UV, 1H NMR spectra and thermal analyses. The general formula of the complexes is [Ln(HL)(H2O)2]Cl2·H2O (where Ln(Ⅲ)=La, Pr, Nd, Eu and Gd). In addition, the relaxivity (R1) of the Gd-complex was determined by INVREC Au program.

  10. Coordination polymers of La(III) acetate with terephthalaldehyde bis isonicotinic acid hydrazone (Paper No. AL-12)

    International Nuclear Information System (INIS)

    Polymerization reactions involving the formation of schiff base metal complexes by condensation have been described. Metal complexes of schiff bases of hyrazides with aldehydes and ketones have been of special interest in recent years, particularly in the context of therapeutic value of hydrazide and hydrazone. The coordination occurs both in keto as well as in enolic form of ligands with metal ions. Coordination polymers of 3-d series have been extensively studied but less attention has been paid on rare earths polymeric complexes. The synthesis and characterization of lanthanide (La, Pr, Nd, Sr and Gd) acetate complexes with a schiff base derived from terephthalaldehyde and isonicotinic acidhydrazide are reported. (author)

  11. Synthesis, Spectral and Thermal Investigations of Some Oxovanadium(IV) Complexes of Hydrazones of Isonicotinic Acid Hydrazide

    OpenAIRE

    Agarwal, Ram K.; Singh, Lakshman

    2005-01-01

    A new series of 12 complexes of oxovanadium(IV) with hydrazones of isonicotinic acid hydrazide, namely N-isonicotinamido-3',4',5'-trimethoxybenzalaldimine (INH-TMB) and N-isonicotinamido-2'-furanaldimine (INH-FUR) with the general formula VOX2.nL (X = Cl, Br, I, NCS, NO3, n = 1; X = ClO4, n = 2; L = INH-TMB or INH-FUR) were synthesized and characterized on the basis of analytical, conductance, molecular weight, magnetic moment, infrared and electronic spectral data....

  12. Rhodamine 6G hydrazone bearing thiophene unit: A highly sensitive and selective off-on fluorescent chemosensor for Al3+

    Science.gov (United States)

    Wu, Wei-Na; Mao, Pan-Dong; Wang, Yuan; Zhao, Xiao-Lei; Jia, Lei; Xu, Zhou-Qing

    2016-10-01

    A rhodamine derivative (R1) has been synthesized by a hydrazone formation of rhodamine 6G hydrazide with 3-methylthiophene-2-carbaldehyde, which exhibits high selectivity and sensitivity as an "off-on" fluorescent sensor toward Al3+ in water containing media. The binding process was confirmed by UV-vis absorption, fluorescence measurements, mass spectroscopy and DFT calculation. The probe functions by Al3+ induced hydrolytic cleavage of the imine-bond to produce an intense rhodamine-based emission. To test the practical use of the probe, the determination of Al3+ in real water samples was also evaluated.

  13. Polymer complexes. XLXI. Supramolecular spectral studies on metal-ligand bonding of novel rhodanine sulphadrugs hydrazone

    International Nuclear Information System (INIS)

    Graphical abstract: The ESR spectra of copper complexes in powder form show a broad signal with values in order g|| > g( > ge (2.0023). The value of covalency factor β and orbital reduction factor K accounts for the covalent nature of the complexes. -- Abstract: Novel polymeric complexes with 5-sulphadiazineazo-3-phenyl-2-thioxo-4-thiazolidine (HL1), 5-sulphamethazineazo-3-phenyl-2-thioxo-4-thiazolidine (HL2) and 5-sulphamethoxazoleazo-3-phenyl-2-thioxo-4-thiazolidine (HL3) and various anions were prepared. Structural and spectroscopic properties have been studied on the basis of elemental analyses, infrared spectra, 1HNMR spectra, electronic spectra, magnetic measurements and ESR. IR and 1H NMR studies reveal that the ligands (HLn) exists in the tautomeric enol/hydrazo form in both states with intramolecular hydrogen bonding. The analytical data and the molar conductance measurements of the polymeric complexes reveal that three molecules of the ligand and four/two(Cl/SO4) of the anions are coordinated to the two metal atoms in all complexes. The infrared spectra of the ligands and their polymeric complexes, confirmed that the ligands coordinate to Cu(II) as a neutral and tetradentate via NH(hydrazone), oxygen of the carbonyl group (CO), nitrogen of the NH(3-phenylamine) and thion sulphur (CS) group. All the polymer complexes were found to have magnetic moments corresponding to one unpaired electrons. The ESR (g|| and gperpendicular) and bonding α2 parameters of the copper ion were greatly affected by substituting several groups position of ring of sulphadrug. The ESR spectra of copper complexes in powder form show a broad signal with values in order g|| > gperpendicular > ge (2.0023). The value of covalency factor β and orbital reduction factor K accounts for the covalent nature of the complexes.

  14. Reversible photochromic system based on rhodamine B salicylaldehyde hydrazone metal complex.

    Science.gov (United States)

    Li, Kai; Xiang, Yu; Wang, Xiaoyan; Li, Ji; Hu, Rongrong; Tong, Aijun; Tang, Ben Zhong

    2014-01-29

    Photochromic molecules are widely applied in chemistry, physics, biology, and materials science. Although a few photochromic systems have been developed before, their applications are still limited by complicated synthesis, low fatigue resistance, or incomplete light conversion. Rhodamine is a class of dyes with excellent optical properties including long-wavelength absorption, large absorption coefficient, and high photostability in its ring-open form. It is an ideal chromophore for the development of new photochromic systems. However, known photochromic rhodamine derivatives, such as amides, exhibit only millisecond lifetimes in their colored ring-open forms, making their application very limited and difficult. In this work, rhodamine B salicylaldehyde hydrazone metal complex was found to undergo intramolecular ring-open reactions upon UV irradiation, which led to a distinct color and fluorescence change both in solution and in solid matrix. The complex showed good fatigue resistance for the reversible photochromism and long lifetime for the ring-open state. Interestingly, the thermal bleaching rate was tunable by using different metal ions, temperatures, solvents, and chemical substitutions. It was proposed that UV light promoted isomerization of the rhodamine B derivative from enol-form to keto-form, which induced ring-opening of the rhodamine spirolactam in the complex to generate color. The photochromic system was successfully applied for photoprinting and UV strength measurement in the solid state. As compared to other reported photochromic molecules, the system in this study has its advantages of facile synthesis and tunable thermal bleaching rate, and also provides new insights into the development of photochromic materials based on metal complex and spirolactam-containing dyes. PMID:24397593

  15. The biosynthesis of phytoalexins in Dianthus caryophyllus L. cell cultures: induction of benzoyl-CoA:anthranilate N-benzoyltransferase activity.

    Science.gov (United States)

    Reinhard, K; Matern, U

    1989-11-15

    It has been shown that cell cultures of Dianthus caryophyllus L. c.v. Eleganz accumulate N-benzoyl-4-methoxyanthranilic acid, previously identified as the phytoalexin methoxydianthramide B, in response to treatment either with a crude elicitor isolated from the cell walls of Phytophthora megasperma f.sp. glycinea or with a commercial yeast extract. Cell-free extracts from the induced cells efficiently catalyzed the N-benzoylation of anthranilate in the presence of benzoyl-CoA. The partially purified transferase was shown to be specific for anthranilate with almost no activity toward 4-hydroxyanthranilate, whereas acyl donors other than benzoyl-CoA such as salicyloyl-, cinnamoyl-, or 4-coumaroyl-CoA were also accepted. Elicitor treatment of the cells additionally induced an S-adenosyl-L-methionine:N-benzoyl-4-hydroxyanthranilate 4-O-methyltransferase activity. We propose, therefore, that methoxydianthramide B is derived from N-benzoylanthranilic acid via N-benzoyl-4-hydroxyanthranilic acid. Dark-grown cells contained little N-benzoyltransferase activity (approx 8 mu kat/kg), which increased roughly ninefold within 6 h following the addition of the elicitor. In addition, phenylalanine ammonia-lyase activity of the cells increased about twofold under these conditions to a maximum (approx 40 mu kat/kg) at 5 h. The rapid induction of both enzyme activities suggests that the shikimate pathway is of crucial importance in the disease resistance response of carnation cells.

  16. Antimicrobial and antioxidant screening of N¢-substituted sulphonyl and benzoyl derivatives of 4-Pyridine carboxylic acid hydrazide.

    Science.gov (United States)

    Naeem, Sabahat; Akhtar, Shamim; Asghar, Nadia; Sherwani, Sikander Khan; Mushtaq, Nousheen; Kamil, Arfa; Zafar, Shaista; Arif, Mohammad; Saify, Zafar Saeed

    2015-11-01

    In this research program, the antibacterial, antifungal and antioxidant activities of six N'-substituted sulfonyl and benzoyl derivatives of lead molecule PCH were reported. Out of these compounds, sulphonyl derivatives 2,3 and benzoyl derivative 5 showed moderate to good activity against different strains of gram-positive and gram-negative bacteria including B. cereus, B. subtilis, B. thruingiensis and S. pyogenes, S. fecalis and E. coli ATCC 8739. Moreover, upon antifungal screening, the compound, N¢-[(2,4,6-trimethylbenzene) sulfonyl]pyridine-4-carbohydrazide possessed good antifungal activity against Candida species, a causative agent of systemic fungal infections. Antioxidant study demonstrated more than 50% inhibition in DPPH assay for sulphonyl derivative 2 indicating its potential as antioxidant while the other derivatives expressed low level of radical scavenging property. PMID:26639506

  17. The effect of dietary lipid on skin tumor promotion by benzoyl peroxide: comparison of fish, coconut and corn oil.

    Science.gov (United States)

    Locniskar, M; Belury, M A; Cumberland, A G; Patrick, K E; Fischer, S M

    1991-06-01

    Fish or vegetable oils were fed during the promotion stage of a mouse skin carcinogenesis model in order to investigate the effects of dietary fat on tumor development. Two weeks after initiation with 10 nmol dimethylbenz[a]anthracene, SENCAR mice were divided into five groups and maintained on one of the following semipurified diets containing 10% total fat and varying the type of fat: 8.5% coconut oil (CT)/1.5% corn oil (CO); 1% menhaden oil (MO)/7.5% CT/1.5% CO; 4% MO/4.5% CT/1.5% CO; 8.5% MO/1.5% CO; or 10% CO. Promotion with twice-weekly applications of 40 mg benzoyl peroxide was begun 2 weeks later and continued for 52 weeks. No statistically significant differences in kcal food consumed or body weights were observed between diet groups. Papilloma latency, incidence and yield differed among the diet groups with the group fed the 8.5% CT/1.5% CO diet having the shortest latency and highest papilloma incidence and number. In addition, carcinoma latency and incidence was assessed and the first carcinoma appeared in the group fed 8.5% CT/1.5% CO after 20 weeks of benzoyl peroxide treatment; this group yielded the highest carcinoma incidence throughout the study. In comparison, the group fed the 10% CO diet had the longest latency period, and among the lowest papilloma and carcinoma incidence and fewest tumors. In parallel studies, ornithine decarboxylase activity, vascular permeability and hyperplasia were elevated in the epidermis of benzoyl peroxide-treated mice but the extent of the response did not correlate with the different rates of tumor formation observed among the diet groups. These data indicate that dietary fat modulates tumor promotion by benzoyl peroxide in this skin carcinogenesis model with the predominantly saturated fat diet producing the highest rates of papilloma and carcinogen formation and the polyunsaturated fat diet the lowest.

  18. The effect of dietary lipid on skin tumor promotion by benzoyl peroxide: comparison of fish, coconut and corn oil.

    Science.gov (United States)

    Locniskar, M; Belury, M A; Cumberland, A G; Patrick, K E; Fischer, S M

    1991-06-01

    Fish or vegetable oils were fed during the promotion stage of a mouse skin carcinogenesis model in order to investigate the effects of dietary fat on tumor development. Two weeks after initiation with 10 nmol dimethylbenz[a]anthracene, SENCAR mice were divided into five groups and maintained on one of the following semipurified diets containing 10% total fat and varying the type of fat: 8.5% coconut oil (CT)/1.5% corn oil (CO); 1% menhaden oil (MO)/7.5% CT/1.5% CO; 4% MO/4.5% CT/1.5% CO; 8.5% MO/1.5% CO; or 10% CO. Promotion with twice-weekly applications of 40 mg benzoyl peroxide was begun 2 weeks later and continued for 52 weeks. No statistically significant differences in kcal food consumed or body weights were observed between diet groups. Papilloma latency, incidence and yield differed among the diet groups with the group fed the 8.5% CT/1.5% CO diet having the shortest latency and highest papilloma incidence and number. In addition, carcinoma latency and incidence was assessed and the first carcinoma appeared in the group fed 8.5% CT/1.5% CO after 20 weeks of benzoyl peroxide treatment; this group yielded the highest carcinoma incidence throughout the study. In comparison, the group fed the 10% CO diet had the longest latency period, and among the lowest papilloma and carcinoma incidence and fewest tumors. In parallel studies, ornithine decarboxylase activity, vascular permeability and hyperplasia were elevated in the epidermis of benzoyl peroxide-treated mice but the extent of the response did not correlate with the different rates of tumor formation observed among the diet groups. These data indicate that dietary fat modulates tumor promotion by benzoyl peroxide in this skin carcinogenesis model with the predominantly saturated fat diet producing the highest rates of papilloma and carcinogen formation and the polyunsaturated fat diet the lowest. PMID:1904320

  19. EFIKASI LARVASIDA BERBAHAN AKTIF BENZOYL PHENIL UREA SEBAGAI INSECT GROWTH REGULATOR TERHADAP LARVA Culex quinquefasciatus DI LABORATORIUM

    Directory of Open Access Journals (Sweden)

    Siti Alfiah

    2014-06-01

    Full Text Available This study was conducted to determine the efficacy of an insect growth regulator (IGRbenzoyl phenil urea against Culex quinquefasciatus larvae, laboratory scale trial. The researchused seven concentrations of IGR, were evaluated 0,5 ; 1 ; 2 ; 2,5 ; 3 and 5 ppm and untreatedcontrol, using 4 replications (20 larvae each. The result showed that 0,5 ppm of the benzoylphenil urea could kill more 90% of Cx. quinquefasciatus larvae in 5 days, while concentrations 1; 2 ; 2,5 and 3 ppm in 4 days, and concentration 5 ppm in 3 days. The result was also revealedthat LC50 and LC90 0,57 and 23,2 ppm. Mosquito larvae mortalities were showed statisticallydifferent among concentrations (p < 0,05.Key words : Efficacy, benzoyl phenil urea, Culex quinquefasciatus Penelitian untuk mengetahui efikasi insect growth regulator (IGR benzoyl phenil ureaterhadap larva Culex quinquefasciatus telah dilakukan. Penelitian menggunakan 7 konsentrasipengujian yaitu 0,5 ppm, 1 ppm, 2 ppm, 2,5 ppm, 3 ppm, 5 ppm dan kontrol. Setiap konsentrasimenggunakan 4 kali pengulangan. Hasil menunjukkan bahwa larvasida benzoyl phenil ureamembunuh lebih dari 90% larva Cx. quinquefasciatus dengan konsentrasi 0,5 ppm dalam 5 hari,konsentrasi 1 ; 2 ; 2,5 dan 3 ppm dalam waktu 4 hari dan konsentrasi 5 ppm dalam waktu 3 hari.Konsentrasi yang diperlukan untuk membunuh 50% (LC50 dan 90% (LC90 larva uji adalah 0,57ppm dan 23,2 ppm. Uji analisis varian memberikan hasil bahwa ada perbedaan bermaknakematian larva antar konsentrasi pada taraf nyata 5%.Kata kunci : Efikasi, benzoyl phenil urea, Culex quinquefasciatus

  20. Synthesis and spectral characterization of ternary complexes of oxovanadium(IV) containing some acid hydrazones and 2,2?-bipyridine

    Science.gov (United States)

    Sreeja, P. B.; Kurup, M. R. Prathapachandra

    2005-01-01

    An interesting series of heterocyclic base adducts of oxovanadium(IV) complexes have been synthesized by the reaction of vanadium(IV) oxide acetylacetonate with some hydrazones (H 2L) in the presence of a heterocyclic base 2,2'-bipyridine. The compounds were characterized by analytical and different physico-chemical techniques like IR, electron paramagnetic resonance (EPR) and UV-Vis spectral studies and magnetic studies. The EPR spectra indicate that the free electron is in the d xy orbital. The coordination geometry around oxovanadium(IV) in all complexes is octahedral, with one dibasic tridentate ligand L 2-, and one bidentate heterocyclic base. The IR spectra suggest that coordination takes place through azomethine nitrogen and enolate oxygen from the hydrazide moiety and phenolate oxygen. The pyridyl nitrogens of the hydrazones, H 2L 2 and H 2L 4 are not involved in the coordination. The molar conductivities show that all the complexes are non-electrolytes. All electronic transitions were assigned. All the compounds are paramagnetic. EPR studies of all compounds suggest axial symmetry. The calculated bonding parameters indicate that in-plane σ bonding is more covalent than in-plane π bonding.

  1. Synthesis and spectral characterization of ternary complexes of oxovanadium(IV) containing some acid hydrazones and 2,2'-bipyridine.

    Science.gov (United States)

    Sreeja, P B; Kurup, M R Prathapachandra

    2005-01-01

    An interesting series of heterocyclic base adducts of oxovanadium(IV) complexes have been synthesized by the reaction of vanadium(IV) oxide acetylacetonate with some hydrazones (H(2)L) in the presence of a heterocyclic base 2,2'-bipyridine. The compounds were characterized by analytical and different physico-chemical techniques like IR, electron paramagnetic resonance (EPR) and UV-Vis spectral studies and magnetic studies. The EPR spectra indicate that the free electron is in the d(xy) orbital. The coordination geometry around oxovanadium(IV) in all complexes is octahedral, with one dibasic tridentate ligand L(2-), and one bidentate heterocyclic base. The IR spectra suggest that coordination takes place through azomethine nitrogen and enolate oxygen from the hydrazide moiety and phenolate oxygen. The pyridyl nitrogens of the hydrazones, H(2)L(2) and H(2)L(4) are not involved in the coordination. The molar conductivities show that all the complexes are non-electrolytes. All electronic transitions were assigned. All the compounds are paramagnetic. EPR studies of all compounds suggest axial symmetry. The calculated bonding parameters indicate that in-plane sigma bonding is more covalent than in-plane pi bonding. PMID:15556457

  2. Multicenter study to evaluate efficacy and irritation potential of benzoyl peroxide 4% cream in hydrophase base (Brevoxyl in acne vulgaris

    Directory of Open Access Journals (Sweden)

    Sawleshwarkar S

    2003-01-01

    Full Text Available In this multicenter, open, non-comparative study, the efficacy and irritation potential of 4% benzoyl peroxide cream in hydrophase base (Brevoxyl was evaluated for the treatment of acne vulgaris. All evaluable patients (n=567 received treatment with 4% benzoyl peroxide cream in hydrophase base for six weeks. The investigators evaluated the patients at baseline and at 1,2,4 & 6 weeks. Patients also rated their improvement and adverse effects. Doctor′s assessment showed that at the end of 6′h week 85.6% had good to very good effect of the treatment. The profile of side effects observed by doctors revealed that 53.8% of total patients did not have any irritation whereas only 11.6% had moderate to severe irritation. 53.8% of patients did not report any irritation: 41.4% had some irritation whereas only 4.8% patients reported troublesome irritation. A satisfactory response was reported as ear;y as two weeks and most of the patients had a very satisfactory response after six weeks and were willing to continue the treatment. This supports the theory that the hydrophase formulation in ′Brevoxyl helped to enhance efficacy and decrease the irritation associated with use of benzoyl peroxide.

  3. Development and in-vitro characterization of fish oil oleogels containing benzoyl peroxide and salicylic acid as keratolytic agents.

    Science.gov (United States)

    Rehman, K; Tan, C M; Zulfakar, M H

    2014-03-01

    Topical keratolytic agents such as benzoyl peroxide (BP) and salicylic acid (SA) are one of the common treatments for inflammatory skin diseases. However, the amount of drug delivery through the skin is limited due to the stratum corneum. The purposes of this study were to investigate the ability of fish oil to act as penetration enhancer for topical keratolytic agents and to determine the suitable gelator for formulating stable fish oil oleogels. 2 types of gelling agents, beeswax and sorbitan monostearate (Span 60), were used to formulate oleogels. To investigate the efficacy of fish oil oleogel permeation, commercial hydrogels of benzoyl peroxide (BP) and salicylic acid (SA) were used as control, and comparative analysis was performed using Franz diffusion cell. Stability of oleogels was determined by physical assessments at 20°C and 40°C storage. Benzoyl peroxide (BP) fish oil oleogels containing beeswax were considered as better formulations in terms of drug permeation and cumulative drug release. All the results were found to be statistically significant (pskin and stability.

  4. Antimicrobial screening and one-pot synthesis of 4-(substituted-anilinomethyl-3-(2-naphthyl-1-phenyl-1H-pyrazole derivatives

    Directory of Open Access Journals (Sweden)

    Neelima Goel

    2014-01-01

    Full Text Available Aim: Synthesis of series of 4-(substituted-anilinomethyl-3-(2-naphthyl-1-phenyl-1H-pyrazole derivatives (4a-4k and their in vitro antifungal and antibacterial screening. Materials and Methods: A series of compounds (4a-4k was synthesized through direct reductive amination of 3-(naphthalen-2-yl-1-phenyl-1H-pyrazole-4-carbaldehyde with various substituted aromatic amines using NaBH 4 in the presence of I 2 as reducing agent. The reaction was carried out in anhydrous methanol under neutral conditions at room temperature. The structures of synthesized compounds (4a-4k were established on the basis of IR, 1 H and 13 C-NMR, and mass spectral data. Results: All 4-(substituted-anilinomethyl-3-(2-naphthyl-1-phenyl-1H-pyrazole derivatives (4a-4k were tested in vitro for antifungal and antibacterial activities against different fungal and bacterial strains. Most of the compounds exhibited considerable antifungal activity, but poor antibacterial activity against the test strains. Conclusion: In the series compound 4e, 4g, 4j, and 4k, showed excellent antifungal activity against the fungal strain Aspergillus niger (MTCC 281 and Aspergillus flavus MTCC 277 (% inhibition in the range of 47.7-58.9.

  5. Piperonal ciprofloxacin hydrazone induces growth arrest and apoptosis of human hepatocarcinoma SMMC-7721 cells

    Institute of Scientific and Technical Information of China (English)

    Zhen-yu SHI; Yong-qiang LI; YU-hua KANG; Guo-qiang HU; Chao-shen HUANG-FU; Jin-bo DENG; Bin LIU

    2012-01-01

    Aim:To investigate the cytotoxic effects of piperonal ciprofloxacin hydrazone (QNT4),a novel antibacterial fluoroquinolone derivative,against human hepatocarcinoma SMMC-7721 cells.Methods:Human hepatocarcinoma cells (SMMC-7721),human breast adenocarcinoma cells (MCF-7) and human colon adenocarcinoma cells (HCT-8) were tested.The effects of QNT4 on cell proliferation were examined using MTT assay.Cell apoptosis was determined using Hoechst 33258 fluorescence staining,TUNEL assay and agarose gel electrophoresis.The topoisomerase Ⅱ activity was measured using agarose gel electrophoresis with the DNA plasmid pBR322 as the substrate.Mitochondrial membrane potential (△ψm)was measured using a high content screening imaging system.Protein expression of caspase-9,caspase-8,caspase-3,p53,Bcl-2,Bax,and cytochrome c was detected with Western blot analysis.Results:Treatment with QNT4 (0.625-10 μmol/L) potently inhibited the proliferation of the cancer cells in time- and dose-dependent manners (the IC50 value at 24 h in SMMC-7721 cells,MCF-7 cells and HCT-8 cells was 2.956±0.024,3.710±0.027,and 3.694±0.030μmol/L,respectively).Treatment of SMMC-7721 cells with QNT4 (0.2146,2.964,and 4.600 μmol/L) for 24 h dose-dependently increased the percentage of apoptotic cells,elicited characteristic DNA “ladder” bands,and decreased the mitochondrial membrane potential.QNT4 dose-dependently increased topoisomerase Ⅱ-mediated DNA breaks while inhibiting DNA relegation,thus keeping the DNA in fragments.Treatment of SMMC-7721 cells with QNT4 significantly increased cytochrome c in the cytosol,and decreased cytochrome c in the mitochondrial compartment.QNT4 (3-7.39 μmol/L) significantly increased the protein expression of p53,Bax,caspase-9,caspase-3,and the cleaved activated forms of caspase-9 and caspase-3 in SMMC-7721 cells.In contrast,the expression of Bcl-2 was decreased,while caspase-8 had no significant change.Conclusion:QNT4 induced the apoptosis of SMMC-7721 cells via

  6. Synthesis and Crystal Structure of 2-Benzoyl Pyridine Thiosemicarbazato Palladium(Ⅱ)Chloride

    Institute of Scientific and Technical Information of China (English)

    刘泽华; 王守兴; 段春迎; 游效曾

    2001-01-01

    The title complex,2-benzoyl pyridine thiosemicarbazato palladium(Ⅱ)chloride [C13H11N4SPdCl,Mr=379.17],crystallizes in monoclinic,space group C2/c with a=12.1061(5),b=21.877(3),c=11.4832(6)A,β=108.29(9)°,V=2887.7(4)A3,Z=8,Dc=1.827g/cm3; μ=1.608cm-1 and F(000)=1568.R=0.0281 and wR=0.0684 for 1446 reflections with I > 2σ(Ⅰ).X-ray crystal structure analysis revealed that the coordination geometry of Pd atom is a distorted square plane with two Pd- N bonds,one Pd - S bond and one Pd - Cl bond.The Schiff-base ligand loses a proton from its tautomeric thiol form and coordinates to the Pd atom via the mercapto sulfur and theβ-nitrogen atoms.

  7. Polymeric micellar nanocarriers of benzoyl peroxide as potential follicular targeting approach for acne treatment.

    Science.gov (United States)

    Kahraman, Emine; Özhan, Gül; Özsoy, Yıldız; Güngör, Sevgi

    2016-10-01

    The aim of this work was to optimize polymeric nano-sized micellar carriers of the anti-acne compound benzoyl peroxide (BPO) and to examine the ability of these carriers to deposit into hair follicles with the objective of improving skin delivery of BPO. BPO loaded polymeric micelles composed of Pluronic(®) F127 were prepared by the thin film hydration method and characterized in terms of size, loading capacity, morphology and physical stability. The optimized micelle formulation was then selected for skin delivery studies. The penetration of BPO loaded micellar carriers into skin and skin appendages across full thickness porcine skin was examined in vitro. Confocal microscopy images confirmed the penetration of Nile Red into hair follicles, which was loaded into micellar carriers as a model fluorescent compound. The relative safety of the polymeric micelles was evaluated with the MTT viability test using mouse embryonic fibroblasts. The results indicated that nano-sized polymeric micelles of BPO composed of Pluronic(®) F127 offer a potential approach to enhance skin delivery of BPO and that targeting of micelles into hair follicles may be an effective and safe acne treatment. PMID:27434156

  8. Polymeric micellar nanocarriers of benzoyl peroxide as potential follicular targeting approach for acne treatment.

    Science.gov (United States)

    Kahraman, Emine; Özhan, Gül; Özsoy, Yıldız; Güngör, Sevgi

    2016-10-01

    The aim of this work was to optimize polymeric nano-sized micellar carriers of the anti-acne compound benzoyl peroxide (BPO) and to examine the ability of these carriers to deposit into hair follicles with the objective of improving skin delivery of BPO. BPO loaded polymeric micelles composed of Pluronic(®) F127 were prepared by the thin film hydration method and characterized in terms of size, loading capacity, morphology and physical stability. The optimized micelle formulation was then selected for skin delivery studies. The penetration of BPO loaded micellar carriers into skin and skin appendages across full thickness porcine skin was examined in vitro. Confocal microscopy images confirmed the penetration of Nile Red into hair follicles, which was loaded into micellar carriers as a model fluorescent compound. The relative safety of the polymeric micelles was evaluated with the MTT viability test using mouse embryonic fibroblasts. The results indicated that nano-sized polymeric micelles of BPO composed of Pluronic(®) F127 offer a potential approach to enhance skin delivery of BPO and that targeting of micelles into hair follicles may be an effective and safe acne treatment.

  9. Bioavailability of Clindamycin From a New Clindamycin Phosphate 1.2%-Benzoyl Peroxide 3% Combination Gel.

    Science.gov (United States)

    Jones, Terry M; Jasper, Stacy; Alió Sáenz, Alessandra B

    2013-01-01

    A new topical fixed-dose combination product containing clindamycin (1%, formulated as 1.2% clindamycin phosphate, CLNP 1.2%) with low strength (3%) benzoyl peroxide (BPO) in a methylparaben-free gel vehicle (CLNP 1.2%-BPO 3%-MPF) has been developed for the treatment of acne. The objective of this study was to determine the relative bioavailability of clindamycin and clindamycin sulfoxide from CLNP 1.2%-BPO 3%-MPF compared with clindamycin phosphate 1.2%-BPO 5% in a methylparaben-preserved gel vehicle (CLNP 1.2%-BPO 5%-MP) and clindamycin phosphate 1.2%-BPO 5% in a methylparaben-free gel vehicle (CLNP 1.2%-BPO 5%-MPF), and to determine whether exposure is affected by BPO concentration (3% vs. 5%) when applied topically. Seventy-two subjects with moderate-severe acne were randomized to receive CLNP 1.2%-BPO 3%-MPF, CLNP 1.2%-BPO 5%-MP, or CLNP 1.2%-BPO 5%-MPF in a 5-day, open-label, and parallel-group study. Cmax and AUC values for clindamycin were highest for CLNP 1.2%-BPO 5%-MP, followed by CLNP 1.2%-BPO 3%-MPF and CLNP 1.2%-BPO 5%-MPF, but differences were not statistically significant. Systemic exposure to clindamycin and clindamycin sulfoxide was low and comparable between the formulations. Results indicate that differences in BPO concentration do not influence clindamycin bioavailability.

  10. [Detection of benzoyl peroxide in wheat flour by NIR diffuse reflectance spectroscopy technique].

    Science.gov (United States)

    Zhang, Zhi-yong; Li, Gang; Liu, Hai-xue; Lin, Ling; Zhang, Bao-ju; Wu, Xiao-rong

    2011-12-01

    Adding benzoyl peroxide (BPO) into wheat flour was prohibited by the relevant government departments since May 1, 2011. And it is of great importance to detect BPO additive amount in wheat flour quickly and accurately. Part of BPO which was added into wheat flour will be deoxidized into benzoic acid, and this make it complex to detect the original BPO additive amount. The objective of the present research is to investigate the potential of NIR diffuse reflectance spectroscopy as a way for measurement of BPO original adding amount in wheat flour. A total of 133 wheat flour samples were prepared by adding different content of BPO into pure wheat flour. Spectra data were obtained by NIR spectrometer and then denoised by wavelet transform. Ninety seven samples were taken as calibration set and other 36 samples as prediction set. Partial least squares regression (PLSR) was applied to establish the calibration model between BPO original adding contents and the spectra data. The determination coefficient of model for the calibration set is 0.8901, and root mean squared error of calibration (RMSEC) is 40.85 mg x kg(-1). The determination coefficient for the prediction set is 0.8865, and root mean squared error of prediction (RMSEP) is 44.69 mg x kg(-1). The result indicates that it is feasible to detect the BPO adding contents in wheat flour by NIR diffuse reflectance spectroscopy technique and this technique has the potential to measure some other additives in food.

  11. Purification of benzoyl-mercapto-acetyl-tri-glycine and ethyl cysteinate dimer complemented with biological evaluations

    International Nuclear Information System (INIS)

    Purification of benzoyl-mercaptoacetyl triglycine (MAG3) and ethyl cysteinate dimer (L,L-ECD) has been conducted through fractionated recrystallization of its impurities and isomers; biological behavior of the main isomers has been evaluated through biological distribution in mice. Chemical purity of synthesized MAG3 is 69,9%; after purification, 98, 12% is obtained from the compound with adequate biological distribution; fusion points range between 194 and 196oC before and after purification; recrystallization yields is 12%. Radiochemical purity of testing lot is 98%. In biological evaluations conducted in mice, injection dose percentages for the purest one, after 5 minutes, is 31,20% in kidneys and 1,14% in the liver. Chemical purity of synthesized ECD is 80,29%; after purification, 98,76% is obtained from the isomer with adequate biological activity; fusion points range between 195 and 197oC; yield percentage in recrystallization is 29%. radiochemical purity of testing lot is 97%; in biological evaluations conducted in mice, injection dose percentages for the purest one, after 5 minutes, is 1,37% in the brain, 25,70% in the liver and 13,40% in kidneys

  12. A rapid and sensitive spectrophotometric method for the determination of benzoyl peroxide in wheat flour samples

    Directory of Open Access Journals (Sweden)

    Kraingkrai Ponhong

    2015-12-01

    Full Text Available A simple, rapid, and sensitive spectrophotometric method for the determination of benzoyl peroxide (BPO in wheat flour samples was developed. The detection principle is based on BPO reacted with 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS to obtain a blue-green colored product that was detected at 415 nm by spectrophotometry. The effect of factors influencing the color reaction was investigated. Under the selected conditions, the linear range for quantification of BPO was observed between 0.2–1.0 mg L−1 with r2 = 0.998. The limit of detection (LOD was 0.025 mg L−1. The developed method obtained superior precision (relative standard deviation < 2% using 11 repeatability at 0.2 mg L−1, 0.6 mg L−1, and 0.8 mg L−1. The proposed methodology was successfully applied to determine BPO in wheat flour samples.

  13. Spectrophotometric speciation of Fe(II) and Fe(III) using hydrazone-micelle systems and flow injections

    International Nuclear Information System (INIS)

    Two hydrazones were synthesised, namely salicylhyrazone (SH) and trihydroxyacetophenone (THAPH) were synthesised with the objective of developing a method for determining of Fe(II) and Fe(III) in the presence of each other and hence the total iron.those hydrazones were selected so as to combine the ability of phenolic compounds to complex Fe(III) ions and the complexing characteristics of hydrazones. The complexes of Fe(II)SH and Fe(III)SH as well those of Fe(II)-THAPH and Fe(III)-THAPH had shown maximum absorbance at λ=412 nm which was not not modified by presence of micelles i.e. sodium n-dodecyl sulphate (SDS) and n-hexa dodecyl pyridinium bromide. The maximum absorbance for all complexes takes place around a neutral pH. Generally, in addition, of n-hexa dodecylpyridinium bromide to fe(II)-SH and Fe(III)-SH absorbance of the complexes increases with increasing the concentration of the micelle. The effects of the addition of sodium n-dodecyle sulphate (SDS) to Fe(III)-SH is also studied. Generally, increasing the concentration of the micelle decrease the absorbance of the complexes. To study the effect of the presence of Fe(II) and Fe(III) on the determination of each other,mixtures of Fe(II)-SH and Fe(III)-SH are studied. However, the use of ascorbic acid as a reducing reagent for Fe(III) did not produce the needed results but non reducible results, which may be due to the masking effect of ascorbic acid and thus making the metal not available to the ligand. However, conversion of Fe(II) to Fe(III) prior to the determination was avoided as this requires the use of oxidant, which will oxidise the ligand as well. To establish the condition for the maximum absorbance of THAPH complexes, the effect of the base was investigated by using sodium and ammonium hydroxide. Generally, increasing the concentration of the base decreases the abosrbance. as expected, ammonium hydroxide produced positive results than sodium hydroxide. After establishing the optimum Fi

  14. Simple and fast fluorescence detection of benzoyl peroxide in wheat flour by N-methoxy rhodamine-6G spirolactam based on consecutive chemical reactions

    International Nuclear Information System (INIS)

    Graphical abstract: A simple and fast method for fluorescence detection of benzoyl peroxide in wheat flour by N-methoxy rhodamine-6G spirolactam (1) is proposed based on consecutive chemical reactions. Highlights: ► Benzoyl peroxide can oxidize Fe2+ into Fe3+. ► Fe3+ selectively induces the opening of rhodamine spirolactam ring. ► The two reactions led to the development of a new fluorescent method for benzoyl peroxide. ► The method is simple and fast, and is used to detect benzoyl peroxide in wheat flour. - Abstract: Benzoyl peroxide (BPO) as a brightener is often added to wheat flour, and excessive use of this food additive is receiving increasing concern. Herein, a simple and fast method for fluorescence detection of BPO is proposed based on consecutive chemical reactions. In this approach, BPO first oxidizes Fe2+ into Fe3+ and the resulting Fe3+ then induces the opening of the spirolactam ring of a new rhodamine derivative, N-methoxy rhodamine-6G spirolactam, switching on fluorescence of the detection system. More importantly, the fluorescence response of the reaction system to BPO is rather rapid and sensitive, with a detection limit of 6 mg kg−1 (k = 3), which makes it to be of great potential use in food safety analysis. The applicability of the proposed method has been successfully demonstrated on the determination of BPO in wheat flour samples.

  15. 3.3.2. Synthesis, crystal structure and biological activity of 1-(phthalazin-1(2H)-one)[(Pyridin-2-yl)ethylidene]hydrazone and its cobalt (III) complex

    OpenAIRE

    Felicite Majoumo-Mbe, Emmanuel N. Nfor*, Eric B. Sengeh, Romanus N. Njong and Offiong E. Offiong

    2015-01-01

    A new mononuclear complex of cobalt (III) (2) with 1-(phthalazin-1(2H)-one)[(Pyridin-2-yl) ethylidene] hydrazone ligand (1) has been synthesized and characterized by elemental analysis, IR and mass spectroscopic techniques. The crystal structures of the free ligand (1) and its complex (2) have been determined by single crystal X-ray diffraction technique. In complex 2 the hydrazone ligand chelates to the cobalt (III) ion through nitrogen atoms in a tridentate manner, giving an octahedral geom...

  16. Synthesis of novel hydrazone and azole functionalized pyrazolo[3,4-b]pyridine derivatives as promising anticancer agents.

    Science.gov (United States)

    Nagender, P; Naresh Kumar, R; Malla Reddy, G; Krishna Swaroop, D; Poornachandra, Y; Ganesh Kumar, C; Narsaiah, B

    2016-09-15

    A series of novel pyrazolo[3,4-b]pyridine based target compounds were synthesized starting from the key intermediate ethyl 2-(3-amino-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate 5 on reaction with hydrazine hydrate followed by reaction with different aldehydes, acid chlorides and isothiocyanates to form hydrazones 7, oxadiazoles 8, 1,2,4 triazoles 10 and thiadiazoles 11 respectively in high yield. All the final compounds were screened for anticancer activity against four human cancer cell lines. Among them, 1,2,4 triazole derivatives showed promising activity and compound 10d is identified as a lead molecule. PMID:27528432

  17. New series of aromatic/ five-membered heteroaromatic butanesulfonyl hydrazones as potent biological agents: Synthesis, physicochemical and electronic properties

    Science.gov (United States)

    Hamurcu, Fatma; Mamaş, Serhat; Ozdemir, Ummuhan Ozmen; Gündüzalp, Ayla Balaban; Senturk, Ozan Sanlı

    2016-08-01

    The aromatic/five-membered heteroaromatic butanesulfonylhydrazone derivatives; 5-bromosalicylaldehydebutanesulfonylhydrazone(1), 2-hydroxy-1-naphthaldehydebutane sulfonylhydrazone(2), indole-3-carboxaldehydebutanesulfonylhydrazone (3), 2-acetylfuran- carboxyaldehydebutanesulfonylhydrazone(4), 2-acetylthiophenecarboxyaldehydebutane- sulfonylhydrazone(5) and 2-acetyl-5-chlorothiophenecarboxyaldehydebutanesulfonyl hydrazone (6) were synthesized by the reaction of butane sulfonic acid hydrazide with aldehydes/ketones and characterized by using elemental analysis, 1H NMR, 13C NMR and FT-IR technique. Their geometric parameters and electronic properties consist of global reactivity descriptors were also determined by theoretical methods. The electrochemical behavior of the butanesulfonylhydrazones were investigated by using cyclic voltammetry (CV), controlled potential electrolysis and chronoamperometry (CA) techniques. The number of electrons transferred (n), diffusion coefficient (D) and standard heterogeneous rate constants (ks) were determined by electrochemical methods.

  18. Synthesis, Characterization and Antimicrobial Activity of Oxovanadium(IV) Complexes of Schiff Base Hydrazones Containing Quinoxaline Moiety

    Institute of Scientific and Technical Information of China (English)

    Lakshmi, P. V. Anantha; Satyanarayana, T.; Reddy, P. Saritha

    2012-01-01

    The oxovanadium(IV) complexes of the Schiff base hydrazones, synthesized from 3-hydrazinoquinoxaline-2- one (HQO) with salicylaldehyde (HSHQO), o-hydroxyacetophenone (HHAHQO), dehydroacetic acid (HDHAHQO) and o-nitrobenzaldehyde (NBHQO) were synthesized and characterized on the basis of analytical, conductance, magnetic moment, infrared, NMR, ESR and electronic spectral data. The ligands HSHQO, HDHAHQO behaved as monobasic tridentate ONN donors through phenolic oxygen, azomethine nitrogens. The ligand HAHQO acted as a monobasic bidentate ON donor through the phenolic oxygen, azomethine (free) nitrogen and the ligand NBHQO acted as neutral bidentate ON donor through oxygen of the nitro group and azomethine (free) nitrogen.

  19. Semisynthesis and quantitative structure-activity relationship (QSAR) study of some cholesterol-based hydrazone derivatives as insecticidal agents.

    Science.gov (United States)

    Yang, Chun; Shao, Yonghua; Zhi, Xiaoyan; Huan, Qu; Yu, Xiang; Yao, Xiaojun; Xu, Hui

    2013-09-01

    In continuation of our program aimed at the discovery and development of natural-product-based insecticidal agents, four series of novel cholesterol-based hydrazone derivatives were synthesized, and their insecticidal activity was tested against the pre-third-instar larvae of oriental armyworm, Mythimna separata (Walker) in vivo at 1mg/mL. All the derivatives showed the better insecticidal activity than their precursor cholesterol. Quantitative structure-activity relationship (QSAR) model demonstrated that six descriptors such as RDF085v, Mor06u, Mor11u, Dv, HATS0v and H-046, are likely to influence the insecticidal activity of these compounds. Among them, two important ones are the Mor06u and RDF085v. PMID:23891182

  20. Cycloisomerization of acetylenic oximes and hydrazones under gold catalysis: Synthesis and cytotoxic evaluation of isoxazoles and pyrazoles

    Indian Academy of Sciences (India)

    J C Jeyaveeran; Chandrasekar Praveen; Y Arun; A A M Prince; P T Perumal

    2016-01-01

    The synthesis of substituted isoxazoles and pyrazoles through a general cycloisomerization methodology has been reported. The capability of gold(III) chloride to promote cycloisomerization of both , -acetylenic oximes and , -acetylenic hydrazones is the centrepiece of the strategy. A range of acetylenic precursors were investigated to afford 28 examples of the products with good to excellent chemical yields. Selected compounds were screened for their cytotoxic potential towards COLO320 cancer cell lines. The IC50 values of the tested compounds were in the micromolar range, with the best compound, 5-(6-Methoxy-naphthalen-2-yl)-3-phenyl-isoxazole (3h) displaying an IC50 of 38.9 M. For this compound, the crystal structure in complex with Aurora-A kinase was obtained which revealed details of its binding mode within the active site with a free energy of binding -9.54 kcal/mol.

  1. Comparison of the efficacy and safety of topical clindamycin and 5% benzoyl peroxide with nadifloxacin cream and 5% benzoyl peroxide gel in the treatment of acne vulgaris and assessment of the effects of these treatments on quality of life

    Directory of Open Access Journals (Sweden)

    Aslıhan Kırkağaç

    2015-03-01

    Full Text Available Background and Design: Acne vulgaris is a multifactorial chronic inflammatory disase of the pilosebaceous unit. Topical antibiotics and anti-inflammatory treatment are used for mild and moderate acne. Clindamycin is frequently used for acne treatment, altough nadifloxacin is a relatively new agent. There are few studies evaluating nadifloxacin efficacy. It's impact on quality of life has not been determined previously. In this study, it is aimed to compare the effect of these two agents, and to evaluate the effect of these treatments on quality of life. Materials and Methods: Eighty patients with mild-moderate acne vulgaris were divided in two groups of 40 people that had no difference in terms of age, gender and acne severity. The combination of topical clindamycin and 5% benzoyl peroxide gel twice a day was given to group 1 for 12 weeks. The combination of nadifloxacin cream and 5% benzoyl peroxide gel twice a day was given to group 2 for 12 weeks. The number of the inflammatory and non-inflammatory lesions were recorded at baseline and on weeks 2, 4, 8, 12 and side effects were recorded and evaluated. Global improvement was evaluated separately by patients and doctor after the treatment. Before and after the treatment, the quality of life of the patients were evaluated with Skindex-29. Results: Both treatment group regimens were significantly effective on inflammatory and non-inflammatory lesions and were well tolerated by patients in terms of side effects. It was also observed that there was statistically significant recovery after treatment in terms of clinical severity and quality of life. There was not any statistically significant difference between two treatment methods in terms of effectiveness, side effect and quality of life. Conclusion: Nadifloxacin and 5% benzoyl peroxide combination is effective in the treatment and improvement of quality of life in acne patients.

  2. 香草醛水杨酰腙的合成%The Systhesis of Vanillin Salicylic Acyi Hydrazone

    Institute of Scientific and Technical Information of China (English)

    余锐; 王进; 曹国强; 付灿

    2014-01-01

    Salicylic hydrazide was preparation through methyl salicylate and 80%of hydrazine hydrate, vanillin salicylic acyl hydrazone was synthesized through salicylic hydrazide and vanilla aldehyde condensation reaction, with glacial acetic acid as catalyst, vanillin salicylic acyl hydrazone structures have been characterized by determining the melting point of the product and infrared spectrum. The effect of the heating reflux time, reaction temperature and reactant ratio on the yield was studied, its bacteriostatic activity of staphylococcus aureus were tested. Results show that the temperature is 65℃, time of heating reflux is 2h and raw material salicylic hydrazide and vanillin mole ratio is 1∶1.4, the yield can be as high as 73.4%.%以水杨酸甲酯与80%的水合肼为原料,制备水杨酰肼,然后以冰醋酸为催化剂,通过水杨酰肼与香草醛的缩合反应,合成了香草醛水杨酰腙。测定了产物的熔点,并用红外光谱对产物香草醛水杨酰腙的结构进行了表征。研究了反应温度、加热回流时间和反应物投料比对产率的影响,并测定其抑菌活性。结果表明:在温度65℃,加热回流时间2h和原料水杨酰肼与香草醛摩尔比为1∶1.4的条件下,产品产率高达73.4%。

  3. Synthesis of novel flavone hydrazones: in-vitro evaluation of α-glucosidase inhibition, QSAR analysis and docking studies.

    Science.gov (United States)

    Imran, Syahrul; Taha, Muhammad; Ismail, Nor Hadiani; Kashif, Syed Muhammad; Rahim, Fazal; Jamil, Waqas; Hariono, Maywan; Yusuf, Muhammad; Wahab, Habibah

    2015-11-13

    Thirty derivatives of flavone hydrazone (5-34) had been synthesized through a five-step reaction and screened for their α-glucosidase inhibition activity. Chalcone 1 was synthesized through aldol condensation then subjected through oxidative cyclization, esterification, and condensation reaction to afford the final products. The result for baker's yeast α-glucosidase (EC 3.2.1.20) inhibition assay showed that all compounds are active with reference to the IC50 value of the acarbose (standard drug) except for compound 3. Increase in activity observed for compounds 2 to 34 clearly highlights the importance of flavone, hydrazide and hydrazone linkage in suppressing the activity of α-glucosidase. Additional functional group on N-benzylidene moiety further enhances the activity significantly. Compound 5 (15.4 ± 0.22 μM), a 2,4,6-trihydroxy substituted compound, is the most active compound in the series. Other compounds which were found to be active are those having chlorine, fluorine, and nitro substituents. Compounds with methoxy, pyridine, and methyl substituents are weakly active. Further studies showed that they are not active in inhibiting histone deacetylase activity and do not possess any cytotoxic properties. QSAR model was being developed to further identify the structural requirements contributing to the activity. Using Discovery Studio (DS) 2.5, various 2D descriptors were being used to develop the model. The QSAR model is able to predict the pIC50 and could be used as a prediction tool for compounds having the same skeletal framework. Molecular docking was done for all compounds using homology model of α-glucosidase to identify important binding modes responsible for inhibition activity. PMID:26491979

  4. Thermal properties and DNA-binding studies of a new kind of acyl hydrazone compounds containing imidazole ring

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Jingwen; Liu, Xiangrong, E-mail: xkchemistry@163.com; Yang, Zaiwen; Zhao, Shunsheng

    2014-04-01

    Graphical abstract: - Highlights: • The single crystals of three new acyl hydrazone compounds are obtained and characterized. • The sequence of the thermostability studied by TG-DTG for three compounds under nitrogen and air is the same: III > I > II. • UV–Vis absorption shows the interaction modes of three compounds with CT-DNA are hyperchromic and hypochromic effects. • The results of three compounds reacting with CT-DNA gained by microcalorimeter show reactions are endothermic and rapid. - Abstract: Three new acyl hydrazone compounds C{sub 12}H{sub 12}N{sub 4}O{sub 3} (I), C{sub 12}H{sub 14}N{sub 4}O{sub 4} (II) and C{sub 16}H{sub 16}N{sub 4}O{sub 3} (III) are synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The crystal structural analyses show that the three compounds crystallize in the monoclinic crystal lattice. Their thermal decomposition processes under nitrogen and air are studied by TG-DTG, the sequence of the thermostability for three compounds at each condition is the same: III > I > II. The interaction modes of the three compounds with CT-DNA are investigated by UV–Vis absorption, showing hyperchromic and hypochromic effects. The thermogenic curves of the three compounds reacting with CT-DNA are measured by microcalorimetry, indicating that they are all endothermic reaction and the reaction times are within 10–30 min.

  5. On the roles of close shell interactions in the structure of acyl-substituted hydrazones: An experimental and theoretical approach

    Science.gov (United States)

    Saeed, Aamer; Ifzan Arshad, M.; Bolte, Michael; Fantoni, Adolfo C.; Delgado Espinoza, Zuly Y.; Erben, Mauricio F.

    2016-03-01

    The 2-(phenyl-hydrazono)-succinic acid dimethyl ester compound was synthesized by reacting phenylhydrazine with dimethylacetylene dicarboxylate at room temperature and characterized by elemental analysis, infrared, Raman, 1H and 13C NMR spectroscopies and mass spectrometry. Its solid state structure was determined by X-ray diffraction methods. The X-ray structure determination corroborates that the molecule is present in the crystal as the hydrazone tautomer, probably favored by a strong intramolecular N-H···Odbnd C hydrogen bond occurring between the carbonyl (-Cdbnd O) and the hydrazone -Cdbnd N-NH- groups. A substantial fragment of the molecular skeleton is planar due to an extended π-bonding delocalization. The topological analysis of the electron densities (Atom in Molecule, AIM) allows characterization of intramolecular N-H···O interaction, that can be classified as a resonant assisted hydrogen bond (RAHB). Moreover, the Natural Bond Orbital population analysis confirms that a strong hyperconjugative lpO1 → σ*(N2-H) remote interaction between the C2dbnd O1 and N2-H groups takes place. Periodic system electron density and topological analysis have been applied to characterize the intermolecular interactions in the crystal. Weak intermolecular interactions determine the crystal packing, and the prevalence of non-directional dispersive contributions are inferred on topological grounds. The IR spectrum of the crystalline compound was investigated by means of density functional theory calculations carried out with periodic boundary conditions on the crystal, showing excellent agreement between theory and the experiments. The vibrational assignment is complemented with the analysis of the Raman spectrum.

  6. 香草醛水杨酰腙的合成%The Systhesis of Vanillin Salicylic Acyi Hydrazone

    Institute of Scientific and Technical Information of China (English)

    余锐; 王进; 曹国强; 付灿

    2014-01-01

    以水杨酸甲酯与80%的水合肼为原料,制备水杨酰肼,然后以冰醋酸为催化剂,通过水杨酰肼与香草醛的缩合反应,合成了香草醛水杨酰腙。测定了产物的熔点,并用红外光谱对产物香草醛水杨酰腙的结构进行了表征。研究了反应温度、加热回流时间和反应物投料比对产率的影响,并测定其抑菌活性。结果表明:在温度65℃,加热回流时间2h和原料水杨酰肼与香草醛摩尔比为1∶1.4的条件下,产品产率高达73.4%。%Salicylic hydrazide was preparation through methyl salicylate and 80%of hydrazine hydrate, vanillin salicylic acyl hydrazone was synthesized through salicylic hydrazide and vanilla aldehyde condensation reaction, with glacial acetic acid as catalyst, vanillin salicylic acyl hydrazone structures have been characterized by determining the melting point of the product and infrared spectrum. The effect of the heating reflux time, reaction temperature and reactant ratio on the yield was studied, its bacteriostatic activity of staphylococcus aureus were tested. Results show that the temperature is 65℃, time of heating reflux is 2h and raw material salicylic hydrazide and vanillin mole ratio is 1∶1.4, the yield can be as high as 73.4%.

  7. Efficacy of the addition of salicylic acid to clindamycin and benzoyl peroxide combination for acne vulgaris.

    Science.gov (United States)

    Akarsu, Sevgi; Fetil, Emel; Yücel, Filiz; Gül, Eylem; Güneş, Ali T

    2012-05-01

    Clindamycin phosphate (CDP), benzoyl peroxide (BPO) and salicylic acid (SA) are known to be effective acne therapy agents depending on their anti-inflammatory and comedolytic properties. The purpose of this study was to investigate the efficacy and tolerability of the addition of SA treatment to CDP and BPO (SA and CDP + BPO) and compare it with CDP + BPO in patients with mild to moderate facial acne vulgaris. Forty-nine patients were enrolled in a 12 week prospective, single-blind, randomized, comparative clinical study. Efficacy was assessed by lesion counts, global improvement, quality of life index and measurements of skin barrier functions. Local side effects were also evaluated. Both combinations were effective in reducing total lesion (TL), inflammatory lesion (IL) and non-inflammatory lesion (NIL) counts. There were statistically significant differences between treatment groups for reductions in NIL counts beyond 2 weeks, IL counts and TL counts throughout the all study weeks, and global improvement scores evaluated by patients and investigator at the end of the study in favor of SA and CDP + BPO treatment when compared to CDP + BPO treatment. Both combinations significantly decreased stratum corneum hydration, although skin sebum values decreased with SA and CDP + BPO treatment. These combinations were also well tolerated except significantly higher frequency of mild to moderate transient dryness in patients applied SA and CDP + BPO. The addition of SA to CDP + BPO treatment demonstrated significantly better and faster results in terms of reductions in acne lesion counts and well tolerated except for higher frequency of mild to moderate transient dryness.

  8. Utility of positron annihilation lifetime technique for the assessment of spectroscopic data of some charge-transfer complexes derived from N-(1-Naphthyl)ethylenediamine dihydrochloride.

    Science.gov (United States)

    Refat, Moamen S; Adam, Abdel Majid A; Sharshar, T; Saad, Hosam A; Eldaroti, Hala H

    2014-03-25

    In this work, structural, thermal, morphological, pharmacological screening and positron annihilation lifetime measurements were performed on the interactions between a N-(1-Naphthyl)ethylenediamine dihydrochloride (NEDA·2HCl) donor and three types of acceptors to characterize these CT complexes. The three types of acceptors include π-acceptors (quinol and picric acid), σ-acceptors (iodine) and vacant orbital acceptors (tin(IV) tetrachloride and zinc chloride). The positron annihilation lifetime parameters were found to be dependent on the structure, electronic configuration, the power of acceptors and molecular weight of the CT complexes. The positron annihilation lifetime spectroscopy can be used as a probe for the formation of charge-transfer (CT) complexes. PMID:24291622

  9. Improved efficiency in organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium doped 9,10-di(2-naphthyl) anthracene emission layer

    International Nuclear Information System (INIS)

    Organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium (Alq3) doped 9,10-di(2-naphthyl) anthracene (ADN) as the emission layer (EML) have been fabricated. These devices exhibit efficient electroluminescence (EL) originated from the Alq3 as the mass ratio of Alq3 to ADN was varied from 1 to 50%. The devices with an optimal Alq3 mass ratio of 10 wt% showed a peak EL efficiency and an external quantum efficiency of 9.1 cd A-1 and 2.7% at a luminance of 1371 cd m-2, which is improved by a factor of 2.2 compared with 4.1 cd A-1 and 1.2% at a luminance of 3267 cd m-2 for conventional devices with the neat Alq3 as the EML.

  10. Binding of human serum albumin to N-(p-ethoxy-phenyl)-N'-(1-naphthyl)thiourea and synchronous fluorescence determination of human serum albumin.

    Science.gov (United States)

    Cui, Fengling; Wang, Junli; Cui, Yanrui; Li, Jianping; Lu, Yan; Fan, Jing; Yao, Xiaojun

    2007-06-01

    The binding of N-(p-ethoxy-phenyl)-N'-(1-naphthyl)thiourea (EPNT) to human serum albumin (HSA) was investigated under simulative physiological conditions by fluorescence spectra in combination with UV absorption spectroscopy and a molecular modeling method. A strong fluorescence quenching reaction of EPNT to HSA was observed, and the quenching mechanism was suggested to be static quenching according to the Stern-Volmer equation. The binding constants (K) at different temperatures as well as thermodynamic parameters, enthalpy change (DeltaH) and entropy change (DeltaS), were calculated according to relevant fluorescent data and the vant' Hoff equation. This indicated that a hydrophobic interaction was a predominant intermolecular force for stabilizing the complex, which is in agreement with the results of molecule modeling study. The effects of energy transfer and other ions on the binding constant were considered. In addition, synchronous fluorescence technology was successfully applied to the determination of HSA added into the EPNT solution. PMID:17575357

  11. Synthesis, physico-chemical characterization and biological activity of copper(ii and nickel(ii complexes with l-benzoyl-2-methylbenzimidazole derivatives

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2002-01-01

    Full Text Available Chlorides of copper(II and nickel(ll react with 1-benzoyl-2-methylbenzimidazole or 1-(4-chlorobenzoyl-2-methylbenzimidazole to give complexes of the type [M(LnCln(H20∙Cln (M = Cu or Ni; L = (1-benzoyl-2-methylbenzimidazole or 1-(4-chlorobenzoyl-2-methylbenzimidazole; n=O, 1 or 2. The complexes were synthesized and characterized by elemental analysis, molar conductivity magnetic susceptibility measurements and IR spectra. These studies suggest that all the complexes possess an octahedral stereochemistry. The antibacterial activity of (1-benzoyl-2-methylbenzimidazole or 1-(4-chlorobenzoyl-2-methylbenzimidazole and their complexes was evaluated against Escherichia coli and Bacillus sp.

  12. Structures of N- (2,3,4,6-Tetra- O-acetyl-β- D-glycosyl) thiocar-bamic Benzoyl Hydrazine

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Shu-Sheng(张书圣); LIN,Jie-Hua(林洁华); JIAN,Fang-Fang(建方方); JIAO,Kui(焦奎)

    2002-01-01

    The crystal structure of N-( 2, 3 , 4 , 6-tetra-O-acetyl- β- D-glycosyl)-thiocarbamic benzoyl hydrazine ( C22 H27 N3O9S) was determined by X-ray diffraction method. The hexopyranosyl ring adopts a chair conformation. All the ring substituents are in the equatorial positions. The acetoxyl-methyl group is in synclinal conformation. The S atom is in synperiplanar conformation while the benzoyl hydrazine moiety is anti-periplanar. The thiocarbamic moiety is almost coplanar with the benzoyl hydrazine group. There are two intramolecular hydrogen bonds and one intermolecular hydrogen bond for each molecule in the crystal structure. The molecules form a network structure through intermolecular hydrogen bonds.

  13. Extractive properties of benzohydroxamic and N-benzoyl-benzohydroxamic acids as analytical reagents towards six transition metal ions

    International Nuclear Information System (INIS)

    Two hydroxamic acids were prepared: benzohydroxamic and N-benzoyl benzohydroxamic acids. The former was prepared by coupling the free hydrox amine with benzoyl chloride with the ratio 1:1 in alkaline medium, where as the latter by the same procedure with the ratio 1:2 respectively, they were identified by their melting points, elemental analysis of their nitrogen contents. infra-red spectrophotometry, as well as their nitrogen using elevation of boiling point and the titration method to determine their molecular weights. The two hydroxamic acids were used as analytical reagents for the extraction of the metals Cr(vi), Fe(III), Ti(iv), Co(II) and U(vi). Benzohydroxamic acid has a maximum extraction 99.55% for Cr.(vi) 3M H2SO4, of 90.16% for Ti(iv) at pH 2.0,of 80.56% for Co(II) at pH 8.0 and 98.01% for U(vi) at pH 6.0. N-benzoyl benzohydroxamic acid has a maximum extraction of 96.45% for Cr(vi) at 3M H2So4, of 90.82% for Fe(III) at pH 4.0, of 97.02% for V(v) at 3M H2So4, of 83.56% for Ti(iv) at pH 2.0, of 89.82% for Co(II) at pH 8.0 and of 97.16% for U(vi) at pH 6.0. at the same pH of maximum extraction using heavy matrix, synthetic sea-water, benzohydroxamic acid has maximum values of 91.08%, of 77.99%, of 91.39%, of 87.50 and of 93.17% for Cr(vi), Fe(III), V(v), Ti(iv), Co9II) and U(vi) respectively whereas n-benzoyl benzohydroxamic acid has maximum values of 86.17%, of 77.78%, of 89.61%, of 75.66%, of 79.63% and of 91.18% for Cr(vi), Fe(III), V(v), Ti(iv), Co(II) and U(vi) respectively. The ratio of metal to ligand was determined utilizing the continuous variation method. It was 1 :2, 1: 1, 1 : 1, 1 : 2, 1: 2 and 1 : 2 with respect to Cr(vi), fe(III), Ti(iv), Co(II) and U(vi) respectively.(Author)

  14. Synthesis, Characterization, and Biological Activity of Some Transition Metal Complexes of N-Benzoyl-N′-2-thiophenethiocarbohydrazide

    Directory of Open Access Journals (Sweden)

    Mahendra Yadav

    2012-01-01

    Full Text Available In the present study, Mn(II, Fe(II, Ni(II, and Cu(II complexes of N-benzoyl -N′-2-thiophenethiocarbohydrazide (H2 BTTH have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, infrared, NMR, electronic, and ESR spectral studies. The complexes were found to have compositions [Mn(H BTTH2], [Ni(BTTH(H2O2], [Cu(BTTH], and [Fe(H BTTH2EtOH]. The antibacterial and antifungal properties of H2 BTTH and its metal complexes have been screened against several bacteria and fungi.

  15. An efficient combination of Zr-MOF and microwave irradiation in catalytic Lewis acid Friedel-Crafts benzoylation.

    Science.gov (United States)

    Doan, Tan L H; Dao, Thong Q; Tran, Hai N; Tran, Phuong H; Le, Thach N

    2016-05-01

    A zirconium-based metal-organic framework, an effective heterogeneous catalyst, has been developed for the Friedel-Crafts benzoylation of aromatic compounds under microwave irradiation. Constructed by a Zr(iv) cluster and a linker 1,4-bis(2-[4-carboxyphenyl]ethynyl)benzene (H2CPEB), the MOF, possessing large pores and high chemical stability, was appropriate for the enhancement of Lewis acid activity under microwave irradiation. The reaction studies demonstrated that the material could give high yields for a few minutes and maintain its reactivity and structure over several cycles. PMID:27064371

  16. Evaluation of two forms of N-benzoyl-L-tyrosyl p-aminobenzoic acid in pancreatic function testing of dogs.

    Science.gov (United States)

    Burrows, C F; Orfely, C

    1989-01-01

    Plasma para-aminobenzoic acid (PABA) concentrations were compared in 12 dogs after oral administration of either a powdered suspension or a solution of N-benzoyl-L-tyrosyl-PABA. Peak PABA plasma concentrations were significantly higher at 30, 60 and 90 minutes after administration of the solution (P less than 0.05). As the solution may now be used as a clinical test, interpretation of the results by comparison with normal absorption curves obtained after administration of the suspension could contribute to a failure to diagnose canine exocrine pancreatic insufficiency. PMID:2784215

  17. Thermodynamic parameters for the extraction of some lanthanides with 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 and trioctylamine

    International Nuclear Information System (INIS)

    The synergistic extraction of Pr, Gd and Yb with a mixture of 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 and trioctylamine diluted in C6H6, CHCl3 and CCl4 at 288 K, 298 K, 308 K and 318 K has been investigated. The values of the equilibrium constants as well as of ΔH0, ΔS0 and ΔG0 have been calculated. The thermodynamic parameters indicate that the adduct formed becomes stable on the account of the enthalpy change which exceeds the antistabilizing effect of the entropy factor. A comparison is made to the extraction of the same elements with thenoyltrifluoroacetone. (Author)

  18. Influence of the temperature on the extraction of some lanthanides with 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5

    International Nuclear Information System (INIS)

    The extraction of Pr, Gd and Yb with 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5(HPMBP) diluted in CHCl3, C6H6, and CCl4 at 288 K, 298 K, 308 K, and 318 K has been investigated. A compound of the type Me(PMBP)3HPMBP is formed in the organic phase. The values of the thermodynamic constants as well as of the parameters ΔH0, ΔS0 and ΔG0 have been determined. (Author)

  19. Extraction of trace thorium from hydrochloric acid media by 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone

    Institute of Scientific and Technical Information of China (English)

    YANG Wei-Fan; YUAN Shuang-Gui; XU Yan-Bing; XIAO Yong-Hou; XIONG Bing

    2003-01-01

    The paper describes the solvent extraction of trace thorium from hydrochloric acid media by1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) using a radioactive tracer technique. The percent extraction ofthorium was studied as a function of acidity, PMBP concentration and equilibrium time. The back-extraction behaviorof thorium from the organic phase was also tested. Separation of thorium was performed from fission products pro-duced in 14 MeV neutron bombardment of natural uranium by employing the PMBP extraction procedure. Thegamma-ray spectra of the separated thorium fractions show that thorium can be separated from most of fission prod-ucts and a large amount of uranium.

  20. Structure and Biological Activities of 3-Phenyl-2-[1-benzoyl-1-(1,2,4-triazol-1-yl)] Methenyl Thiazolidine

    Institute of Scientific and Technical Information of China (English)

    XU Liang-zhong; JIAN Fang-fang; QIN Yong-qi; YU Guan-ping; JIAO Kui

    2004-01-01

    The title compound 3-phenyl-2-[1-benzoyl-1-(1,2,4-triazol-1-yl)]methenyl thiazolidine was synthesized from acetophenone, triazole, phenylthioisocyanate and 1,2-dibromo-ethane by several step reactions. Its structure was identified by means of 1H NMR, MS and IR spectrometries. The single crystal structure of 3-phenyl-2-[1-benzoyl-1-(1,2,4-triazol-1-yl)]methenyl thiazolidine was determined by X-ray diffraction. The preliminary bioassays have shown that the title compound exhibits the weak activities of fungicide and plant growth regulator.

  1. Spectroscopic and X-ray crystallographic evidence for electrostatic effects in 4-substituted cyclohexanone-derived hydrazones, imines, and corresponding salts.

    Science.gov (United States)

    Dibble, David J; Ziller, Joseph W; Woerpel, K A

    2011-10-01

    The axial conformer of several 4-substituted cyclohexanone hydrazone salts was found to predominate in solution. Changes in the charge of the molecule and the polarity of the solvent led to changes in the conformational preference of each molecule that were consistent with electrostatic stabilization of the axial conformer. (1)H NMR spectroscopic analysis was utilized to determine the structure of cyclohexanone-derived substrates by comparison to conformationally restricted trans-decalone derivatives and computational models. X-ray crystallography demonstrated that the axial configuration of a pendant benzyloxy group is the preferred conformation of an iminium ion in the solid state. The structure of a neutral hydrazone was also determined to favor the axial configuration for a pendant benzyloxy group in the solid state.

  2. Novel Synthesis of Hydrazide-Hydrazone Derivatives and Their Utilization in the Synthesis of Coumarin, Pyridine, Thiazole and Thiophene Derivatives with Antitumor Activity

    Directory of Open Access Journals (Sweden)

    Rafat M. Mohareb

    2010-12-01

    Full Text Available The reaction of cyanoacetyl hydrazine (1 with 3-acetylpyridine (2 gave the hydrazide-hydrazone derivative 3. The latter compound undergoes a series of heterocyclization reactions to give new heterocyclic compounds. The antitumor evaluation of the newly synthesized products against three cancer cell lines, namely breast adenocarcinoma (MCF-7, non-small cell lung cancer (NCI-H460 and CNS cancer (SF-268 was performed. Most of the synthesized compounds showed high inhibitory effects.

  3. An Eco-Friendly Ultrasound-Assisted Synthesis of Novel Fluorinated Pyridinium Salts-Based Hydrazones and Antimicrobial and Antitumor Screening

    OpenAIRE

    Nadjet Rezki; Salsabeel A. Al-Sodies; Mohamed R. Aouad; Sanaa Bardaweel; Mouslim Messali; El Ashry, El Sayed H.

    2016-01-01

    The present work reports an efficient synthesis of fluorinated pyridinium salts-based hydrazones under both conventional and eco-friendly ultrasound procedures. The synthetic approach first involves the preparation of halogenated pyridinium salts through the condensation of isonicotinic acid hydrazide (1) with p-fluorobenzaldehyde (2) followed by the nucleophilic alkylation of the resulting N-(4-fluorobenzylidene)isonicotinohydrazide (3) with a different alkyl iodide. The iodide counteranion ...

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

    Science.gov (United States)

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

    2014-12-01

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

  5. 呋喃甲醛乙酰腙的合成与表征%Synthesis and Characterization of Furfural Acetyl Hydrazone

    Institute of Scientific and Technical Information of China (English)

    刘养春; 钟宏

    2011-01-01

    为了探究呋喃甲醛乙酰腙的生物活性,对已合成的呋喃甲醛乙酰腙通过X-Ray单晶衍射确定了结构,并通过红外光谱进行表征。结果表明呋喃甲醛乙酰腙属于正交晶系,Pccn空间群,晶胞参数分别为:a=1.090 3(2)nm,b=1.793 7(4)nm,c=0.793 22(16)nm,V=1.551 3(5)nm3,Z=8,ρc=1.303 mg/m3,R1=0.0446,ωR=0.1637。%In order to explore new hydrazone compounds of biological activity, the structure of furfural acetyl hydrazone is determined by X -Ray single crystal diffraction, and characterised by infrared spectrum. The results show that the furfural formaldehyde hydrazone is orthorhombic and Pccns pace group. Unit cell parameters : were : a = 1. 090 3 (2) nm, b = 1. 793 7 (4) nm, c = 0. 793 22 ( 16 ) nm, V = 1.551 3 ( 5 ) nm3 ,Z = 8 ,Pc = 1. 303 mg/m3 ,R1 =0. 0446 ,wR =0. 1637.

  6. Synthesis, Structure and Noncovalent Interactions of Palladium(Ⅱ) Complexes with N-Benzoyl-β-phenylalaninate Dianion and Aromatic Diimine

    Institute of Scientific and Technical Information of China (English)

    CHEN,Yao-Feng(陈耀峰); GONG,Yu-Qiu(龚钰秋); ZHANG,Hua-Song(张华松)

    2002-01-01

    Two palladiun(Ⅱ) complexes, [Pd(bipy)(BzPhe-N,O) ] and [Pd(phen) (BzPhe-N,O) ] @4H2O were synthesized by reactions between Pd(bipy)Cl2 and BzPheH2 ( N-benzoyl- β-phenylalanine), Pd(phen) Cla and BzPheH2 in water at pH ~ 9, with their structrues determined by X-ray diffraction analysis. The Pd atom is coordinated by two nitrogen atoms of bipy (or phen), the deprotonated amido type nitrogen atom and one of the carboxylic oxygens of BzPhe (BzPhe = N-benzoyl-β-phenylalaninate dianion). In the complex [Pd(phen)(BzPhe-N,O)]@ 4H2O, the side chain of phenvlalanine is located above and approximately parallels to the coordination plane. Both the aromic-aromatic stacking interaction between the phenyl ring of phenylalanine and phen, and the metal ion-aromatic interaction between the phenyi ring of phenylalanine and Pd(Ⅱ) were observed. [Pd(bipy)(BzPhe-N,O) ] has the phenylalanyl side chain oriented outwards from the coordination plane, which is mainly due to the interaction between the carbonyl oxygen atom of the amido group and the phenyl ring of phenylalanine. The reason for the different orientation of phenylalanyl side chain in the complexes was suggested.

  7. Synthesis and Biological Activity of Novel Amino Acid-(N'-Benzoyl Hydrazide and Amino Acid-(N'-Nicotinoyl Hydrazide Derivatives

    Directory of Open Access Journals (Sweden)

    Sherine N. Khattab

    2005-09-01

    Full Text Available The coupling reaction of benzoic acid and nicotinic acid hydrazides with N- protected L-amino acids including valine, leucine, phenylalanine, glutamic acid and tyrosine is reported. The target compounds, N-Boc-amino acid-(N`-benzoyl- and N- Boc-amino acid-(N`-nicotinoyl hydrazides 5a-5e and 6a-6e were prepared in very high yields and purity using N-[(dimethylamino-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl- methylene]-N-methyl-methanaminium hexafluorophosphate N-oxide (HATU as coupling reagent. The antimicrobial activity of the Cu and Cd complexes of the designed compounds was tested. The products were deprotected affording the corresponding amino acid-(N`-benzoyl hydrazide hydrochloride salts (7a-7e and amino acid-(N`- nicotinoyl hydrazide hydrochloride salts (8a-8e. These compounds and their Cu and Cd complexes were also tested for their antimicrobial activity. Several compounds showed comparable activity to that of ampicillin against S. aureus and E. coli.

  8. Substitution Effects and Linear Free Energy Relationships During Reduction of 4- Benzoyl-n-(4-substituted Benzyl)pyridinium Cations

    Science.gov (United States)

    Leventis, Nicholas; Zhang, Guo-Hui; Rawashdeh, Abdel-Monem M.; Sotiriou-Leventis, Chariklia; Gray, Hugh R. (Technical Monitor)

    2003-01-01

    In analogy to 4-(para-substituted benzoyl)-N-methylpyridinium cations (1-X's), the title species (2-X's, -X = -OCH3, -CH3, -H, -Br, -COCH3, -NO2) undergo two reversible, well-separated (E(sub 1/2) greater than or equal to 650 mV) one-electron reductions. The effect of substitution on the reduction potentials of 2-X's is much weaker than the effect of the same substituents on 1-X's: the Hammett rho-values are 0.80 and 0.93 for the 1st- and 2nd-e reduction of 2-X's vs. 2.3 and 3.3 for the same reductions of 1-X's, respectively. Importantly, the nitro group of 2-NO2 undergoes reduction before the 2nd-e reduction of the 4-benzoylpyridinium system. These results suggest that the redox potentials of the 4-benzoylpyridinium system can be course-tuned via p-benzoyl substitution and fine-tuned via para-benzyl substitution. Introducing the recently derived substituent constant of the -NO2(sup)- group (sigma para-NO2(sup)- = -0.97) yields an excellent correlation for the 3rd-e reduction of 2- NO2 (corresponding to the reduction of the carbonyl group) with the 2nd-e reduction of the other 2-X's, and confirms the electron donating properties of -NO2(sup)-.

  9. Correlations Between retention indices and molecular structure of aliphatic alcohols and of their benzoyl derivatives on phenyl substituted polysiloxane stationary phases

    International Nuclear Information System (INIS)

    The retention indices of aliphatic alcohols of carbon number up to Cg, and of their benzoyl derivatives up to C7, were determined in columns packed with Chromo sorb G (AW-DMCS-HP) coated previously with 5% methyl, and methyl phenyl polysiloxanes with increasing polarity (SE-30, 0V-3, 0V-7, 0V-11, 0V-17 and OV-25). Correlations between retention indices and chain length for 1-alcohols, 2-alcohols, 3-alcohols, 1 , on -3-alcohols, 2-methyl-1-alcohols and for their corresponding benzoyl derivatives were calculated at 100, 120 and 140 degree centigree. In alcohols, a -CH2- group increases I approximately 100 units, and in their benzoyl derivatives from 80 to 100 units. Dispersion indices Δl , and positional and structural increments δI, were evaluated for -OH and benzoyl groups in terms of phase polarity and chain length. Effects of chain length, chain branching and double bond location on retention parameters were also studied. (Author) 23 refs

  10. Benzoylation of Ergosterol through Nucleophilic Acyl Substitution and Subsequent Formation of Ergosterol Benzoate Endoperoxide by Reaction with Singlet Oxygen Generated by Photosensitization

    Science.gov (United States)

    Roslaniec, Mary C.; Sanford, Elizabeth M.

    2011-01-01

    Reactive oxygen species such as singlet oxygen have been a major focus of research in medicine. The effect of singlet oxygen on sterols within biological membranes is becoming increasingly more important. Ergosterol, a vitamin D precursor, is one such sterol. The benzoylation of ergosterol and subsequent reaction with singlet oxygen to form an…

  11. COMPARATIVE STUDY OF CLINICAL EFFICACY AND SIDE EFFECTS OF ADAPALENE 0.1% GEL AND BENZOYL PEROXIDE 2.5% GEL AS MONOTHERAPIES AND COMBINATION THERAPY IN FACIAL ACNE: INDIAN PERSPECTIVE

    Directory of Open Access Journals (Sweden)

    Adarsh

    2014-04-01

    Full Text Available A fixed dose combination gel with adapalene 0.1% and benzoyl peroxide 2.5% has been developed for the once daily treatment of acne vulgaris .This fixed combination was approved by U.S FDA in December 2008. This study was done in the Department of Dermatology, KIMS, Bangalore to assess the efficacy and adverse effects of topical adapalene 0.1%–benzoyl peroxide 2.5% combination gel as compared to topical adapalene 0.1% gel and 2.5% benzoyl peroxide gel (monotherapies in the treatment of facial acne vulgaris. To the best of our knowledge, this is one of the few studies conducted in India. It was an open label study. Participants received either adapalene 0.1% gel, benzoyl peroxide 2.5% gel or adapalene 0.1% – benzoyl peroxide 2.5% combination gel for 12 weeks. Follow up was done at the end of 1,2,4,8 and 12 weeks. Evaluation included lesion count and adverse events. Participants included males and females aged between 18-38 years with grade 2 or 3 facial acne vulgaris as per investigators global assessment of acne scale. A total of 62 participants were recruited out of which 23 were males and 39 were females.88.71% participants completed the study. The study revealed that combination of adapalene 0.1% and benzoyl peroxide 2.5% gel was more effective in the treatment of facial acne as compared to adapalene 0.1% gel and benzoyl peroxide 2.5% gel (topical monotherapies. The safety of combination of adapalene 0.1% and benzoyl peroxide 2.5% gel was comparable with adapalene 0.1% gel and benzoyl peroxide 2.5% gel monotherapies.

  12. Synthesis and binding characteristics of N-(1-naphthyl)-N'-(3-[{sup 125}I]-iodophenyl)-N'-methylguanidine ([{sup 125}I]-CNS 1261): a potential SPECT agent for imaging NMDA receptor activation

    Energy Technology Data Exchange (ETDEWEB)

    Owens, Jonathan E-mail: j.owens@clinmed.gla.ac.uk; Tebbutt, Andrew A.; McGregor, Ailsa L.; Kodama, K.; Magar, Sharad S.; Perlman, Michael E.; Robins, David J.; Durant, Graham J.; McCulloch, James

    2000-06-01

    N-(1-Naphthyl)-N'-(3-[{sup 125}I]-iodophenyl)-N'-methylguanidine ([{sup 125}I]-CNS 1261) was synthesized as a potential radioligand to image N-methyl-D-aspartate (NMDA) receptor activation. [{sup 125}I]-CNS 1261 was prepared by radioiodination of N-(1-naphthyl)-N'-(3-tributylstannylphenyl)-N'-methylguanidine using Na{sup 125}I and peracetic acid. [{sup 125}I]-CNS 1261 uptake in vivo reflected NMDA receptor distribution in normal rat brain, whereas in ischemic rat brain, uptake was markedly increased in areas of NMDA receptor activation. Radiolabeled CNS 1261 appears to be a good candidate for further development as a single photon emission computed tomography tracer in the investigation of NMDA receptor activation in cerebral ischemia.

  13. Simple and fast fluorescence detection of benzoyl peroxide in wheat flour by N-methoxy rhodamine-6G spirolactam based on consecutive chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Chen Wei; Shi Wen; Li Zhao [Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Ma Huimin, E-mail: mahm@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Liu Yang; Zhang Jinghua; Liu Qingjun [Beijing Center for Physical and Chemical Analysis, Beijing 100089 (China)

    2011-12-05

    Graphical abstract: A simple and fast method for fluorescence detection of benzoyl peroxide in wheat flour by N-methoxy rhodamine-6G spirolactam (1) is proposed based on consecutive chemical reactions. Highlights: Black-Right-Pointing-Pointer Benzoyl peroxide can oxidize Fe{sup 2+} into Fe{sup 3+}. Black-Right-Pointing-Pointer Fe{sup 3+} selectively induces the opening of rhodamine spirolactam ring. Black-Right-Pointing-Pointer The two reactions led to the development of a new fluorescent method for benzoyl peroxide. Black-Right-Pointing-Pointer The method is simple and fast, and is used to detect benzoyl peroxide in wheat flour. - Abstract: Benzoyl peroxide (BPO) as a brightener is often added to wheat flour, and excessive use of this food additive is receiving increasing concern. Herein, a simple and fast method for fluorescence detection of BPO is proposed based on consecutive chemical reactions. In this approach, BPO first oxidizes Fe{sup 2+} into Fe{sup 3+} and the resulting Fe{sup 3+} then induces the opening of the spirolactam ring of a new rhodamine derivative, N-methoxy rhodamine-6G spirolactam, switching on fluorescence of the detection system. More importantly, the fluorescence response of the reaction system to BPO is rather rapid and sensitive, with a detection limit of 6 mg kg{sup -1} (k = 3), which makes it to be of great potential use in food safety analysis. The applicability of the proposed method has been successfully demonstrated on the determination of BPO in wheat flour samples.

  14. Propene Polymerisation with rac-[Me2Si(2-Me-4-(Naphthyl)-1-Ind)2]ZrCl2 as a Highly Active Catalyst: Influence of Monomer Concentration, Polymerisation Temperature and a Heterogenising Support

    OpenAIRE

    M.Frediani; Kaminsky, W.

    2003-01-01

    Propene was polymerised at high temperatures (up to 90 °C) using rac-[Me2Si(2-Me-4-(α-naphthyl)-1-Ind)2]ZrCl2/MAO as the catalytic system. The increasing deactivation reaction rate of the catalyst for polymerisations above 60 °C was less for a silica supported catalyst compared with the homogeneous one. The isotacticity of polypropene decreases from 99 to 96%. Also the morphology changes with different temperatures.

  15. Convulsions and inhibition of glutamate decarboxylase by pyridoxal phosphate-gamma-glutamyl hydrazone in the developing rat.

    Science.gov (United States)

    Massieu, L; Rivera, A; Tapia, R

    1994-02-01

    We have previously shown that in the adult rat the inhibition of brain glutamate decarboxylase (GAD) activity by pyridoxal phosphate-gamma-glutamyl hydrazone (PLPGH) administration does not result in convulsions, whereas in the adult mouse intense convulsions invariably occur. In the present study we report that, surprisingly, immature rats from 2 to 20 days of age treated with PLPGH (80 mg/kg) showed generalized tonic-clonic convulsions, whereas no convulsions at all were present in 30 days-old or older rats. GAD activity, measured by enzymic determination of GABA formed in forebrain homogenates, was inhibited by about 60% at the time of convulsions in 15 days-old and younger rats, whereas the inhibition was between 40 and 50% in older animals. The addition of the coenzyme pyridoxal 5'-phosphate to the incubation medium completely reversed this inhibition. In all treated animals GABA levels were lower compared to controls. The results indicate that the susceptibility of GAD in vivo to a diminished cofactor concentration decreases with age. It seems possible that changes in the expression of enzyme forms are reflected in developmental variations in the susceptibility to seizures induced by vitamin B6 depletion, but alterations of other B6-dependent biochemical pathways cannot be discarded.

  16. The cytotoxicity of benzaldehyde nitrogen mustard-2-pyridine carboxylic acid hydrazone being involved in topoisomerase IIα inhibition.

    Science.gov (United States)

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

    2014-01-01

    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 Fe(2+) 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 Fe(2+) 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.

  17. Growth and characterization of benzaldehyde 4-nitro phenyl hydrazone (BPH) single crystal: A proficient second order nonlinear optical material

    Science.gov (United States)

    Saravanan, M.; Abraham Rajasekar, S.

    2016-04-01

    The crystals (benzaldehyde 4-nitro phenyl hydrazone (BPH)) appropriate for NLO appliance were grown by the slow cooling method. The solubility and metastable zone width measurement of BPH specimen was studied. The material crystallizes in the monoclinic crystal system with noncentrosymmetric space group of Cc. The optical precision in the whole visible region was found to be excellent for non-linear optical claim. Excellence of the grown crystal is ascertained by the HRXRD and etching studies. Laser Damage Threshold and Photoluminescence studies designate that the grown crystal contains less imperfection. The mechanical behaviour of BPH sample at different temperatures was investigated to determine the hardness stability of the grown specimen. The piezoelectric temperament and the relative Second Harmonic Generation (for diverse particle sizes) of the material were also studied. The dielectric studies were executed at varied temperatures and frequencies to investigate the electrical properties. Photoconductivity measurement enumerates consummate of inducing dipoles due to strong incident radiation and also divulge the nonlinear behaviour of the material. The third order nonlinear optical properties of BPH crystals were deliberate by Z-scan method.

  18. Evaluation of structure-reactivity descriptors and biological activity spectra of 4-(6-methoxy-2-naphthyl)-2-butanone using spectroscopic techniques.

    Science.gov (United States)

    Agrawal, Megha; Deval, Vipin; Gupta, Archana; Sangala, Bagvanth Reddy; Prabhu, S S

    2016-10-01

    The structure and several spectroscopic features along with reactivity parameters of the compound 4-(6-methoxy-2-naphthyl)-2-butanone (Nabumetone) have been studied using experimental techniques and tools derived from quantum chemical calculations. Structure optimization is followed by force field calculations based on density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The vibrational spectra have been interpreted with the aid of normal coordinate analysis. UV-visible spectrum and the effect of solvent have been discussed. The electronic properties such as HOMO and LUMO energies have been determined by TD-DFT approach. In order to understand various aspects of pharmacological sciences several new chemical reactivity descriptors - chemical potential, global hardness and electrophilicity have been evaluated. Local reactivity descriptors - Fukui functions and local softnesses have also been calculated to find out the reactive sites within molecule. Aqueous solubility and lipophilicity have been calculated which are crucial for estimating transport properties of organic molecules in drug development. Estimation of biological effects, toxic/side effects has been made on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by Pharma Expert software. Using the THz-TDS technique, the frequency-dependent absorptions of NBM have been measured in the frequency range up to 3THz. PMID:27284764

  19. Evaluation of structure-reactivity descriptors and biological activity spectra of 4-(6-methoxy-2-naphthyl)-2-butanone using spectroscopic techniques

    Science.gov (United States)

    Agrawal, Megha; Deval, Vipin; Gupta, Archana; Sangala, Bagvanth Reddy; Prabhu, S. S.

    2016-10-01

    The structure and several spectroscopic features along with reactivity parameters of the compound 4-(6-methoxy-2-naphthyl)-2-butanone (Nabumetone) have been studied using experimental techniques and tools derived from quantum chemical calculations. Structure optimization is followed by force field calculations based on density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The vibrational spectra have been interpreted with the aid of normal coordinate analysis. UV-visible spectrum and the effect of solvent have been discussed. The electronic properties such as HOMO and LUMO energies have been determined by TD-DFT approach. In order to understand various aspects of pharmacological sciences several new chemical reactivity descriptors - chemical potential, global hardness and electrophilicity have been evaluated. Local reactivity descriptors - Fukui functions and local softnesses have also been calculated to find out the reactive sites within molecule. Aqueous solubility and lipophilicity have been calculated which are crucial for estimating transport properties of organic molecules in drug development. Estimation of biological effects, toxic/side effects has been made on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by Pharma Expert software. Using the THz-TDS technique, the frequency-dependent absorptions of NBM have been measured in the frequency range up to 3 THz.

  20. Enhanced hydrogenation activity and diastereomeric interactions of methyl pyruvate co-adsorbed with R-1-(1-naphthyl)ethylamine on Pd(111)

    Science.gov (United States)

    Mahapatra, Mausumi; Burkholder, Luke; Garvey, Michael; Bai, Yun; Saldin, Dilano K.; Tysoe, Wilfred T.

    2016-08-01

    Unmodified racemic sites on heterogeneous chiral catalysts reduce their overall enantioselectivity, but this effect is mitigated in the Orito reaction (methyl pyruvate (MP) hydrogenation to methyl lactate) by an increased hydrogenation reactivity. Here, this effect is explored on a R-1-(1-naphthyl)ethylamine (NEA)-modified Pd(111) model catalyst where temperature-programmed desorption experiments reveal that NEA accelerates the rates of both MP hydrogenation and H/D exchange. NEA+MP docking complexes are imaged using scanning tunnelling microscopy supplemented by density functional theory calculations to allow the most stable docking complexes to be identified. The results show that diastereomeric interactions between NEA and MP occur predominantly by binding of the C=C of the enol tautomer of MP to the surface, while simultaneously optimizing C=O....H2N hydrogen-bonding interactions. The combination of chiral-NEA driven diastereomeric docking with a tautomeric preference enhances the hydrogenation activity since C=C bonds hydrogenate more easily than C=O bonds thus providing a rationale for the catalytic observations.

  1. Enhanced hydrogenation activity and diastereomeric interactions of methyl pyruvate co-adsorbed with R-1-(1-naphthyl)ethylamine on Pd(111).

    Science.gov (United States)

    Mahapatra, Mausumi; Burkholder, Luke; Garvey, Michael; Bai, Yun; Saldin, Dilano K; Tysoe, Wilfred T

    2016-01-01

    Unmodified racemic sites on heterogeneous chiral catalysts reduce their overall enantioselectivity, but this effect is mitigated in the Orito reaction (methyl pyruvate (MP) hydrogenation to methyl lactate) by an increased hydrogenation reactivity. Here, this effect is explored on a R-1-(1-naphthyl)ethylamine (NEA)-modified Pd(111) model catalyst where temperature-programmed desorption experiments reveal that NEA accelerates the rates of both MP hydrogenation and H/D exchange. NEA+MP docking complexes are imaged using scanning tunnelling microscopy supplemented by density functional theory calculations to allow the most stable docking complexes to be identified. The results show that diastereomeric interactions between NEA and MP occur predominantly by binding of the C=C of the enol tautomer of MP to the surface, while simultaneously optimizing C=O····H2N hydrogen-bonding interactions. The combination of chiral-NEA driven diastereomeric docking with a tautomeric preference enhances the hydrogenation activity since C=C bonds hydrogenate more easily than C=O bonds thus providing a rationale for the catalytic observations. PMID:27488075

  2. Do tutorials on application method enhance adapalene-benzoyl peroxide combination gel tolerability in the treatment of acne?

    Science.gov (United States)

    Kwon, Hyuck Hoon; Park, Seon Yong; Yoon, Ji Young; Min, Seonguk; Suh, Dae Hun

    2015-11-01

    Fixed-dose combination adapalene 0.1% and benzoyl peroxide 2.5% gel (A-BPO) has rarely been studied for Asian acne patients, while they have complained of local irritations more often when applying individual components. In this study, we compared A-BPO gel with benzoyl peroxide (BPO) in terms of efficacy and tolerability in Korean patients first, and assessed the clinical benefit of a dermatological tutorial on application technique in reducing irritations for A-BPO. This study was conducted as a single-blind controlled split-face trial for a 12-week period. Each half facial side of 85 patients was randomly assigned to either A-BPO or BPO. Success rate, lesion counts and safety profiles were evaluated (analysis I). During initial assignment, all patients were further randomized to either dermatological tutorial (DT) or non-tutorial (NT) subgroups depending on the presence of dermatologists' tutorials for application methods to their A-BPO sides. Clinical data of the A-BPO side was compared between two subgroups (analysis II). As a result, A-BPO gel outperformed BPO, demonstrating better efficacy in success rates and lesion counts as early as 1 week. However, A-BPO proved significantly less tolerable compared with both BPO and previous A-BPO data from Caucasians. Bioengineering measurements further confirmed clinical data (analysis I). The DT subgroup achieved much better tolerability with comparable therapeutic efficacies compared with the NT subgroup (analysis II). In conclusion, A-BPO demonstrated higher efficacies in acne compared with BPO in Korean patients, while skin irritation levels were notable concurrently. Dermatologists' education for application methods would significantly decrease these side-effects, maintaining superior efficacy levels.

  3. Synthesis, Characterization and Biological Activities of Cu(II, Co(II, Mn(II, Fe(II, and UO2(VI Complexes with a New Schiff Base Hydrazone: O-Hydroxyacetophenone-7-chloro-4-quinoline Hydrazone

    Directory of Open Access Journals (Sweden)

    Nora H. Al-Shaalan

    2011-10-01

    Full Text Available The Schiff base hydrazone ligand HL was prepared by the condensation reaction of 7-chloro-4-quinoline with o-hydroxyacetophenone. The ligand behaves either as monobasic bidentate or dibasic tridentate and contain ONN coordination sites. This was accounted for be the presence in the ligand of a phenolic azomethine and imine groups. It reacts with Cu(II, Ni(II, Co(II, Mn(II, UO2 (VI and Fe(II to form either mono- or binuclear complexes. The ligand and its metal complexes were characterized by elemental analyses, IR, NMR, Mass, and UV-Visible spectra. The magnetic moments and electrical conductance of the complexes were also determined. The Co(II, Ni(II and UO2 (VI complexes are mononuclear and coordinated to NO sites of two ligand molecules. The Cu(II complex has a square-planar geometry distorted towards tetrahedral, the Ni(II complex is octahedral while the UO2 (VI complex has its favoured heptacoordination. The Co(II, Mn(II complexes and also other Ni(II and Fe(III complexes, which were obtained in the presence of Li(OH as deprotonating agent, are binuclear and coordinated via the NNNO sites of two ligand molecules. All the binuclear complexes have octahedral geometries and their magnetic moments are quite low compared to the calculated value for two metal ions complexes and thus antiferromagnetic interactions between the two adjacent metal ions. The ligand HL and metal complexes were tested against a strain of Gram +ve bacteria (Staphylococcus aureus, Gram −ve bacteria (Escherichia coli, and fungi (Candida albicans. The tested compounds exhibited high antibacterial activities.

  4. A New, Once-daily, Optimized, Fixed Combination of Clindamycin Phosphate 1.2% and Low-concentration Benzoyl Peroxide 2.5% Gel for the Treatment of Moderate-to-Severe Acne

    OpenAIRE

    Gold, Michael H.

    2009-01-01

    The treatment of acne with combination therapy is commonplace with treatment aimed at sustained efficacy with minimal side effects, maximum adherence, and the avoidance of bacterial resistance. Combinations containing clindamycin and benzoyl peroxide have been shown to be effective, but the irritation caused by the concentration of benzoyl peroxide 5% in the more commonly used, fixed combinations can be limiting. In addition, surfactants, preservatives, and high levels of organic solvents, in...

  5. Shifting the Azo-hydrazone tautomeric equilibrium of methyl yellow in acidic medium by the formation of inclusion complexes with cyclodextrins

    Science.gov (United States)

    Ferreira, Ivania R.; Ando, Rômulo A.

    2012-01-01

    The protonation of methyl yellow (MY) leads to a tautomeric equilibrium involving the azo and hydrazone species, where the latter is predominant. Electronic and Raman spectroscopic data show that when MY in acidic medium is included in cyclodextrins, there is an inversion in the relative ratio of tautomers, in which the azo species become the major species. This indicates that the azo bond is included in cyclodextrin precluding its protonation. The understanding of the protonation, tautomeric and inclusion equilibria of these systems plays an important role in the designing of cyclodextrin based molecular machines controlled by light.

  6. Synthesis, spectroscopic characterization and photophysics of a novel environmentally sensitive dye 3-naphthyl-1-phenyl-5-(4-carboxyphenyl)-2-pyrazoline

    International Nuclear Information System (INIS)

    Synthesis and photophysical properties of a novel pyrazoline – containing fluorophore, 3-naphthyl-1-phenyl-5-(4-carboxyphenyl)-2-pyrazoline (NPCP) A, and its proline derivative (NPCP-P) B are presented in this work. The highlight of this fluorescent dye is that, it can be prepared from available starting material via two synthetic steps, easily converted to the corresponding amide derivative by in situ nucleophilic acyl substitution of the corresponding acid chloride, and its purification by simple chromatographic techniques. The structures of the new compounds were verified using various spectroscopic tools. Furthermore, photophysical properties of the new fluorophores were studied and interesting solvatochromic behaviour was observed. Due to the presence of proton acceptor linked to the fluorophore, NPCP displays pH-sensitive absorption and fluorescence emission. The interaction of NPCP and NPCP-P with various micelles has been studied by steady state fluorescence. All results reflect the importance of the medium effect on the analytical application of NPCP as a potential fluorescent label for derivatization of analytes having amine (–NH2) group. Theoretical calculations were performed for both compounds using time dependent density functional theory (TD-DFT) at B3LYP/6-31G(d, p) level. The calculations indicate that the exited state dipole moments are larger than those of the ground state in line with the experimental findings. - Highlights: • Synthesis of a naphthalene-pyrazoline fluorescence reagent for –NH2 containing compounds. • The fluorescence of the compounds exhibit interesting solvatochromism. • TD-DFT calculations at B3LYP/6-31G(d, p) was performed on the probe and its derivative

  7. Synthesis, characterization and biological evaluation of N-ferrocenylmethyl amino acid benzene carboxamide derivatives and N-ferrocenyl benzoyl amino alkane derivatives as anti-cancer agents.

    OpenAIRE

    Butler, William E.

    2012-01-01

    The aim of this research was to explore the structure-activity relationship (SAR) of ferrocenyl-bioconjugates. A series of N-(ferrocenylmethylamino acid)-fluorinated-benzene carboxamide derivatives and a series of N-(ferrocenyl)-benzoyl-aminoalkane derivatives have been synthesised, structurally characterised and biologically evaluated for their anti-proliferative activity on various cancer cell lines, principally, the (estrogen receptor positive) MCF-7 breast cancer cell line. The anti-c...

  8. Investigating The Molecular Formation Ppoperties of 2-Acetylamino-6-Benzoyl-4-Chlorophenol Using The Semi Emprical Molecular Orbital Methods (PM3, AM1, MNDO)

    OpenAIRE

    Fatma BAYSEN

    2004-01-01

    In this study in order to the geometry optimization of the 2-acetylamino-6-benzoyl-4-chlorophenol crystal, which is used for forming analgesic and antienflamatuar medicine and of which crystal structure was determined using x-ray diffraction method, PM3, AM1 and MNDO semi emprical molecular orbital methods found in the HyperChem program were used. By the geometry optimization geometric parameters of the molecules having the minimum energy were found.These values which were theoretically obtai...

  9. SYNTHESIS AND EVALUATION OF ANTIMICROBIAL ACTIVITY OF 1-BENZOYL-1H-PYRAZOLO [4,3-C]QUINOLIN-4(5H-ONES

    Directory of Open Access Journals (Sweden)

    Shivashankar Murugesh

    2011-01-01

    Full Text Available A series of 1-benzoyl-1H-pyrazolo [4,3-C]quinolin-4(5H-one, carrying appropriate substituents at the Quinoline ring have been synthesized in good yields via the condensation of 4-chloro-3-formylquinolin-2[1H]ones with benzohydrazide using triethylamine as a base. All the synthesized compounds were evaluated for their antibacterial activities.

  10. Benzoyl Peroxide Formulated Polycarbophil/Carbopol 934P Hydrogel with Selective Antimicrobial Activity, Potentially Beneficial for Treatment and Prevention of Bacterial Vaginosis

    OpenAIRE

    Shiqi Xu; Cavera, Veronica L.; Rogers, Michael A.; Qingrong Huang; Konstantin Zubovskiy; Michael L. Chikindas

    2013-01-01

    The human vagina is colonized by a variety of indigenous microflora; in healthy individuals the predominant bacterial genus is Lactobacillus while those with bacterial vaginosis (BV) carry a variety of anaerobic representatives of the phylum Actinobacteria. In this study, we evaluated the antimicrobial activity of benzoyl peroxide (BPO) encapsulated in a hydrogel against Gardnerella vaginalis, one of the causative agents of BV, as well as indicating its safety for healthy human lactobacilli. ...

  11. Palladium(ii)-catalyzed C-C and C-O bond formation for the synthesis of C1-benzoyl isoquinolines from isoquinoline N-oxides and nitroalkenes.

    Science.gov (United States)

    Li, Jiu-Ling; Li, Wei-Ze; Wang, Ying-Chun; Ren, Qiu; Wang, Heng-Shan; Pan, Ying-Ming

    2016-08-01

    C1-Benzoyl isoquinolines can be generated via a palladium(ii)-catalyzed C-C and C-O coupling of isoquinoline N-oxides with aromatic nitroalkenes. The reaction proceeds through remote C-H bond activation and subsequent intramolecular oxygen atom transfer (OAT). In this reaction, the N-O bond was designed as a directing group in the C-H bond activation as well as the source of an oxygen atom. PMID:27443150

  12. 1-(2-Methyl-5H-chromeno[2,3-b]pyridin-5-ylidene) hydrazone as fluorescent probes for selective zinc sensing in DMSO

    International Nuclear Information System (INIS)

    Two methyl-chromeno-pyridinylidene hydrazone derivatives L1, a cyclen derivative, and L2 were studied as potential fluorescent OFF–ON sensors towards Zn2+ in DMSO. Upon addition of one equivalent of Zn2+, L1 fluorescence was quenched, but addition of a second equivalent of Zn2+ restored partially the signal. Therefore ZnL1 behaved as a OFF–ON sensor for zinc. By comparison, L2 behaved as a very sensitive probe for zinc. ZnL1 and L2 sensor efficiencies were correlated to Zn2+ coordination via the hydrazone moiety of the fluorophore, which prevented a photoinduced electron transfer (PET), and allowed an efficient CHelation-Enhanced Fluorescence (CHEF) effect. -- Highlights: • According to Zn2+ concentration, L1 behaves as an on-off-on sensor. • Given that L1 concentration is known, its fluorescence response could give an immediate suggestion about the range of Zn2+ concentration. • L2 exhibited a strong fluorescence enhancement upon Zn2+ addition. • It was demonstrated that L2 was highly specific to Zn2+, which rendered this very straightforward ligand as an efficient and selective probe for this ion

  13. Polydopamine-based immobilization of a hydrazone covalent organic framework for headspace solid-phase microextraction of pyrethroids in vegetables and fruits.

    Science.gov (United States)

    Wu, Mingxue; Chen, Gang; Liu, Ping; Zhou, Weihong; Jia, Qiong

    2016-07-22

    We designed a novel hydrazone covalent organic framework (COF) and developed a polydopamine (PDA) method to immobilize COF on a stainless steel fiber for headspace solid-phase microextraction (HS-SPME). A series of characterization studies was performed to validate the structure and property of the prepared fiber. The COF-PDA fiber was applied for the extraction of pyrethroids coupled with gas chromatography equipped with an electron capture detector (GC-ECD). Under the optimum experimental conditions, high enhancement factors of 307-2327 were achieved, indicating that the hydrazone COF possessed good extraction efficiency for pyrethroids. The detection limits ranged from 0.11 to 0.23μgkg(-1) with relative standard deviations varying in the range of 3.6-9.2% (intra-batch) and 6.9-12.1% (inter-batch), respectively. The developed method was applied to the determination of pyrethroids in fruit and vegetable samples and the accuracy was assessed through recovery experiments. PMID:27317006

  14. Spectrophotometric Determination of Cu2+ and Monitoring of Hg2+ and Ni2+ in some Iranian Vegetables Using 6-(2-Naphthyl)-2, 3-Dihydro-as-triazine-3-thione

    OpenAIRE

    Shamsa, Fazel; Barazande Tehrani, Malehe; Mehravar, Hamid; MOHAMMADI, ELAHEH

    2013-01-01

    Recently, 6-(2-naphthyl)-2, 3-dihydro-as-triazine-3-thione (NDTT) was synthesized in laboratory and used successfully for the spectrophotometric determination of nanogram levels of Cu2+ in aqueous solution. This reagent forms a specific red complex with Cu2+ ions after the extraction by chloroform at alkaline pH. The absorption of the complex in the UV region (313 nm) is about 8 times as strong as in the visible one (510 nm). Mercury and nickel ions form yellow complexes with NDTT under the s...

  15. Antischistosomal activity of acridanone- hydrazones in Cebus monkeys experimentally infected with the SJ strain of Schistosoma mansoni

    Directory of Open Access Journals (Sweden)

    Paulo Marcos Zech Coelho

    1995-09-01

    Full Text Available In this study, four compounds were utilized at the dose of 12.5mg/kg body weight, p.o., to treat Cebus monkeys experimentally infected with about 200 cercariae of Schistosoma mansoni (SJ strain, via transcutaneous route. The oograms performed with rectal snips, as well as stool examinations carried out periodically, showed no viable eggs of the parasite, from day 29 to 226post-treatment. The perfusion undertaken after killing the animals showed absence of worms in the treated monkeys, whereas 83 worms were recovered from the control, thus corroborating the results obtained by means of oograms and coproscopy. These results confirm the efficacy of 9-acridanone- hydrazones previously tested against the LE strain of S. mansoni. The low curative dose and apparent absence of toxicity render these dmgs an important therapeutic reserve, taking into consideration the reports on the resistance of S. mansoni to the modern drugs oxamniquine and praziquantel.No presente trabalho, quatro compostos foram utilizados na dose de 12,5mg/kg de peso, por via oral, em macacos infectados transcutaneamente com cerca de 200 cercárias de Schistosoma mansoni. Os oogramas realizados com fragmentos de mucosa retal e os exames de fezes realizados, periodicamente, demonstraram a ausência de ovos viáveis do parasito a partir do 29- até o 226a dia pós-tratamento. A perfusão, apôs sacrifício dos animais tratados, não detectou vermes, enquanto que do macaco cotztrole 83 vermes foram recuperados, confirmando assim os resultados dos oogramas e da coproscopia. Estes resultados confirmam a eficácia das 9-acridanonas- hydrazonas já observada anteriormente contra a cepa LE de S. mansoni. A baixa dosagem curativa e aparente ausência de toxicidade colocam estas drogas como uma reserva terapêutica importante, tendo em vista o relato de resistência do S. mansoni às drogas modernas oxamniquína e praziquantel.

  16. Topical therapy for acne in women: is there a role for clindamycin phosphate-benzoyl peroxide gel?

    Science.gov (United States)

    Del Rosso, James Q

    2014-10-01

    Acne vulgaris (AV) in adult women is commonly encountered in clinical dermatology practice. This patient subset often experiences psychosocial effects that differ in some ways from those experienced by adolescent females with AV, as they were not expecting to have to deal with this disorder beyond their adolescent years. Most of the emphasis on therapy for adult women with AV has focused on use of oral contraceptives (OCs) and/or oral spironolactone, with little to no evaluation or discussion of topical agents in this patient group. This article provides an overview of AV in adult women and presents the results of a subanalysis of data from female patients who were treated in phase 3 studies with clindamycin phosphate (CP) 1.2%-benzoyl peroxide (BP) 2.5% gel once daily for facial AV. The subanalysis compared outcomes in females younger than 25 years and in those 25 years and older. Overall, the data showed that therapeutic outcomes were comparable between the 2 groups. PMID:25372252

  17. Synthesis, PASS-Predication and in Vitro Antimicrobial Activity of Benzyl 4-O-benzoyl-α-l-rhamnopyranoside Derivatives.

    Science.gov (United States)

    Matin, Mohammed Mahbubul; Nath, Amit R; Saad, Omar; Bhuiyan, Mohammad M H; Kadir, Farkaad A; Abd Hamid, Sharifah Bee; Alhadi, Abeer A; Ali, Md Eaqub; Yehye, Wageeh A

    2016-01-01

    Benzyl α-l-rhamnopyranoside 4, obtained by both conventional and microwave assisted glycosidation techniques, was subjected to 2,3-O-isopropylidene protection to yield compound 5 which on benzoylation and subsequent deprotection of isopropylidene group gave the desired 4-O-benzoylrhamnopyranoside 7 in reasonable yield. Di-O-acetyl derivative of benzoate 7 was prepared to get newer rhamnopyranoside. The structure activity relationship (SAR) of the designed compounds was performed along with the prediction of activity spectra for substances (PASS) training set. Experimental studies based on antimicrobial activities verified the predictions obtained by the PASS software. Protected rhamnopyranosides 5 and 6 exhibited slight distortion from regular ¹C₄ conformation, probably due to the fusion of pyranose and isopropylidene ring. Synthesized rhamnopyranosides 4-8 were employed as test chemicals for in vitro antimicrobial evaluation against eight human pathogenic bacteria and two fungi. Antimicrobial and SAR study showed that the rhamnopyranosides were prone against fungal organisms as compared to that of the bacterial pathogens. Interestingly, PASS prediction of the rhamnopyranoside derivatives 4-8 were 0.49 active') as antibacterial and 0.65 antifungal activities, which showed significant agreement with experimental data, suggesting rhamnopyranoside derivatives 4-8 were more active against pathogenic fungi as compared to human pathogenic bacteria thus, there is a more than 50% chance that the rhamnopyranoside derivative structures 4-8 have not been reported with antimicrobial activity, making it a possible valuable lead compound. PMID:27618893

  18. Characterization of some amino acid derivatives of benzoyl isothiocyanate: Crystal structures and theoretical prediction of their reactivity

    Science.gov (United States)

    Odame, Felix; Hosten, Eric C.; Betz, Richard; Lobb, Kevin; Tshentu, Zenixole R.

    2015-11-01

    The reaction of benzoyl isothiocyanate with L-serine, L-proline, D-methionine and L-alanine gave 2-[(benzoylcarbamothioyl)amino]-3-hydroxypropanoic acid (I), 1-(benzoylcarbamothioyl)pyrrolidine-2-carboxylic acid (II), 2-[(benzoylcarbamothioyl)amino]-4-(methylsulfanyl)butanoic acid (III) and 2-[(benzoylcarbamothioyl)amino]propanoic acid (IV), respectively. The compounds have been characterized by IR, NMR, microanalyses and mass spectrometry. The crystal structures of all the compounds have also been discussed. Compound II showed rotamers in solution. DFT calculations of the frontier orbitals of the compounds have been carried out to ascertain the groups that contribute to the HOMO and LUMO, and to study their contribution to the reactivity of these compounds. The calculations indicated that the carboxylic acid group in these compounds is unreactive hence making the conversion to benzimidazoles via cyclization on the carboxylic acids impractical. This has been further confirmed by the reaction of compounds I-IV, respectively, with o-phenylene diamine which was unsuccessful but gave compound V.

  19. In vitro antimicrobial activity of benzoyl peroxide against Propionibacterium acnes assessed by a novel susceptibility testing method.

    Science.gov (United States)

    Okamoto, Kazuaki; Ikeda, Fumiaki; Kanayama, Shoji; Nakajima, Akiko; Matsumoto, Tatsumi; Ishii, Ritsuko; Umehara, Masatoshi; Gotoh, Naomasa; Hayashi, Naoki; Iyoda, Takako; Matsuzaki, Kaoru; Matsumoto, Satoru; Kawashima, Makoto

    2016-06-01

    Benzoyl peroxide (BPO), a therapeutic agent for acne vulgaris, was assessed for in vitro antimicrobial activity against Propionibacterium acnes using a novel broth microdilution testing that improved BPO solubility. We searched for a suitable culture medium to measure the minimum inhibitory concentration (MIC) of BPO against P. acnes and finally found the Gifu anaerobic medium (GAM) broth supplemented with 0.1(v/v)% glycerol and 2(v/v)% Tween 80, in which BPO dissolved up to 1250 μg/mL and P. acnes grew well. The MICs and minimum bactericidal concentrations (MBCs) of BPO against 44 clinical isolates of P. acnes collected from Japanese patients with acne vulgaris were determined by our testing method using the supplemented GAM broth. The MICs of BPO were 128 or 256 μg/mL against all isolates of P. acnes regardless of susceptibility to nadifloxacin or clindamycin. The MBCs of BPO were also 128 or 256 μg/mL against the same isolates. Moreover, BPO at the MIC showed a rapid bactericidal activity against P. acnes ATCC11827 in time-kill assay. In conclusion, we could develop a novel assay for the MIC and MBC determinations of BPO against P. acnes, which is reliable and reproducible as a broth microdilution testing and the present results suggest that BPO has a potent bactericidal activity against P. acnes.

  20. Synthesis and Bioactivity of N-Benzoyl-N'-[5-(2'-substituted phenyl-2-furoyl] Semicarbazide Derivatives

    Directory of Open Access Journals (Sweden)

    Zining Cui

    2010-06-01

    Full Text Available In order to find novel chitin synthesis inhibitors (CSIs with good activity, benzoylphenylurea, a typical kind of CSIs, was chosen as the lead compound and 15 novel derivatives containing furan moieties were designed by converting the urea linkage of benzoylphenylureas into a semicarbazide and changing the aniline part into furoyl groups. The title compounds were synthesized by the reaction of substituted benzoyl isocyanates with 5-(substituted phenyl-2-furoyl hydrazine, and the structures were confirmed by IR, 1H-NMR, elemental analysis and single crystal X-ray diffraction analyses (compound E2. The bioassay results indicated that the title compounds exhibit good insecticidal activity, especially towards Plutella xylostella L., but had lower fungicidal activity. Inspiringly, the title compounds possessed obvious anticancer activity against human promyelocytic leukemic cell line (HL-60, and some of the title compounds also had activity against human hepatocellular carcinoma cell line (Bel-7402, human gastric carcinoma cell line (BGC-823, and human nasopharyngeal carcinoma cell line (KB. The results indicated that the linkage in the lead compounds was important to the bioactivity and spectra. The modification on the urea linkage is an effective strategy to discover new pesticide and drug candidates.

  1. Dimethyl-Aluminium Complexes Bearing Naphthyl-Substituted Pyridine-Alkylamides as Pro-Initiators for the Efficient ROP of ε-Caprolactone

    Directory of Open Access Journals (Sweden)

    Andrew P. Armitage

    2015-08-01

    Full Text Available Three sterically-enhanced 2-imino-6-(1-naphthylpyridines, 2-{CMe=N(Ar}-6-(1-C10H7C5H3N [Ar = 2,6-i-Pr2C6H3 (L1dipp, 2,4,6-i-Pr3C6H2 (L1tripp, 4-Br-2,6-i-Pr2C6H2 (L1Brdipp], differing only in the electronic properties of the N-aryl group, have been prepared in high yield by the condensation reaction of 2-{CMe=O}-6-(1-C10H7C5H3N with the corresponding aniline. Treatment of L1dipp, L1tripp and L1Brdipp with two equivalents of AlMe3 at elevated temperature affords the distorted tetrahedral 2-(amido-prop-2-yl-6-(1-naphthylpyridine aluminum dimethyl complexes, [2-{CMe2N(Ar}-6-(1-C10H7C5H3N]AlMe2 [Ar = 2,6-i-Pr2C6H3 (1a, 2,4,6-i-Pr3C6H2 (1b, 4-Br-2,6-i-Pr2C6H2 (1c], in good yield. The X-ray structures of 1a–1c reveal that complexation has resulted in concomitant C–C bond formation via methyl migration from aluminum to the corresponding imino carbon in L1aryl; in solution, the restricted rotation of the pendant naphthyl group in 1 confers inequivalent methyl ligand environments. The ring opening polymerization of ε-caprolactone employing 1, in the presence of benzyl alcohol, proceeded efficiently at 30 °C producing polymers of narrow molecular weight distribution with the catalytic activities dependent on the nature of the substituent located at the 4-position of the N-aryl group with the most electron donating i-Pr derivative exhibiting the highest activity (1b > 1a > 1c; at 50 °C 1b mediates 100% conversion of the monomer to polycaprolactone (poly(CL in one hour. In addition to 1a, 1b and 1c, the single crystal X-ray structures are reported for L1dipp and L1tripp.

  2. Facile green synthesis and potent antimicrobial efficacy of -aminoheteronapthol via tailored Betti’s protocol and their bis-aryl hydrazone click products

    Indian Academy of Sciences (India)

    K M Khandarkar; M D Shanti; M Ahmed; J S Meshram

    2013-11-01

    A series of novel Mannich base and their hydrazone derivatives were synthesized by highly resourceful, chic, simple and green technique with exceptionally facile reaction conditions of one-pot, three component reaction with an array of biologically and pharmaceutically active novel heterocycles. The protocol offers a valuable alternative to known methods and will find applications in the field of green synthesis and antimicrobial study against pathogenic microbes, supporting the development of bioinformatical database of novel and derelict heterocycles. These data indicate their potential to become antifungal agents. The novel products were established by elemental, IR, mass spectroscopic and NMR analysis. The environmental advantages of the method include short reaction time, excellent yield, easy work-up, absence of extraction and chromatographic purification steps.

  3. The efficacy, safety and tolerability of adapalene versus benzoyl peroxide in the treatment of mild acne vulgaris; a randomized trial.

    Science.gov (United States)

    Babaeinejad, S H; Fouladi, R F

    2013-09-01

    Topical treatments, such as adapalene and benzoyl peroxide (BPO), are popular in mild-to-moderate acne vulgaris. This study aimed to compare the efficacy, safety and tolerability of adapalene and BPO in mild acne vulgaris. In this single-center, randomized, double-blind, clinical trial, 60 patients with mild acne vulgaris received either topical adapalene 0.1% gel or topical BPO 2.5% gel on their face once daily for two months. The changes of acne lesion count (efficacy), any adverse effect (safety), and the patients' overall satisfaction (tolerability) were compared after 3 months of follow-up. In both groups the mean number of noninflammatory, inflammatory and total lesions decreased significantly from baseline (10.77±5.54, 9.73±5.09, and 20.50±7.54, respectively in adapalene group; 11.50±5.92, 8.43±5.45, and 19.93±9.01, respectively in BPO group) to the third month (1.70±1.68, 0.33±0.66, and 0.50±0.78, respectively in adapalene group; 4.23±4.14, 0.33±0.71, and 4.13±4.44, respectively in BPO group; PBPO receivers only at first month (P=0.001), the mean number of noninflammatory and total lesions was significantly lower in adapalene group at second (P= 0.04 and 0.03, respectively) and third (P=0.02 and BPO group, P=0.54). The patients' overall satisfaction was good-excellent in 93.3% of adapalene receivers vs. 73.3% in BPO group (P=0.08). Both topical adapalene 0.1% and BPO 2.5% gels seem safe and effective in mild acne vulgaris, with a marginal tendency toward the former.

  4. The efficacy, safety, and tolerability of adapalene versus benzoyl peroxide in the treatment of mild acne vulgaris: a randomized trial.

    Science.gov (United States)

    Babaeinejad, S H; Fouladi, R F

    2013-07-01

    Topical treatments, such as adapalene and benzoyl peroxide (BPO), are popular in mild-to-moderate acne vulgaris. This study aimed to compare the efficacy, safety and tolerability of adapalene and BPO in mild acne vulgaris. In this single-center, randomized, double-blind, clinical trial, 60 patients with mild acne vulgaris received either topical adapalene 0.1% gel or topical BPO 2.5% gel on their face once daily for two months. The changes of acne lesion count (efficacy), any adverse effect (safety), and the patients' overall satisfaction (tolerability) were compared after 3 months of follow-up. In both groups the mean number of noninflammatory, inflammatory and total lesions decreased significantly from baseline (10.77±5.54, 9.73±5.09, and 20.50±7.54, respectively in adapalene group; 11.50±5.92, 8.43±5.45, and 19.93±9.01, respectively in BPO group) to the third month (1.70±1.68, 0.33±0.66, and 0.50±0.78, respectively in adapalene group; 4.23±4.14, 0.33±0.71, and 4.13±4.44, respectively in BPO group; PBPO receivers only at first month (P =0.001), the mean number of noninflammatory and total lesions was significantly lower in adapalene group at second (P = 0.04 and 0.03, respectively) and third (P =0.02 and BPO group, p=0.54). The patients' overall satisfaction was good to excellent in 93.3% of adapalene receivers vs. 73.3% in BPO group (P=0.08). Both topical adapalene 0.1% and BPO 2.5% gels seem safe and effective in mild acne vulgaris, with a marginal tendency toward the former.

  5. Synthesis, PASS-Predication and in Vitro Antimicrobial Activity of Benzyl 4-O-benzoyl-α-l-rhamnopyranoside Derivatives

    Directory of Open Access Journals (Sweden)

    Mohammed Mahbubul Matin

    2016-08-01

    Full Text Available Benzyl α-l-rhamnopyranoside 4, obtained by both conventional and microwave assisted glycosidation techniques, was subjected to 2,3-O-isopropylidene protection to yield compound 5 which on benzoylation and subsequent deprotection of isopropylidene group gave the desired 4-O-benzoylrhamnopyranoside 7 in reasonable yield. Di-O-acetyl derivative of benzoate 7 was prepared to get newer rhamnopyranoside. The structure activity relationship (SAR of the designed compounds was performed along with the prediction of activity spectra for substances (PASS training set. Experimental studies based on antimicrobial activities verified the predictions obtained by the PASS software. Protected rhamnopyranosides 5 and 6 exhibited slight distortion from regular 1C4 conformation, probably due to the fusion of pyranose and isopropylidene ring. Synthesized rhamnopyranosides 4–8 were employed as test chemicals for in vitro antimicrobial evaluation against eight human pathogenic bacteria and two fungi. Antimicrobial and SAR study showed that the rhamnopyranosides were prone against fungal organisms as compared to that of the bacterial pathogens. Interestingly, PASS prediction of the rhamnopyranoside derivatives 4–8 were 0.49 < Pa < 0.60 (where Pa is probability ‘to be active’ as antibacterial and 0.65 < Pa < 0.73 as antifungal activities, which showed significant agreement with experimental data, suggesting rhamnopyranoside derivatives 4–8 were more active against pathogenic fungi as compared to human pathogenic bacteria thus, there is a more than 50% chance that the rhamnopyranoside derivative structures 4–8 have not been reported with antimicrobial activity, making it a possible valuable lead compound.

  6. Extraction-spectrophotometric determination of vanadium in stainless steel and nickel-base alloys with N-benzoyl-N-phenylhydroxylamine

    International Nuclear Information System (INIS)

    A simple, rapid, and accurate extraction-spectrophotometric methods has been developed for the determination of vanadium in stainless steel and Ni-base alloys. The procedure is as follows: Take 0.5 g of sample into a beaker and add 20 ml of aqua regia, then heat and dissolve it. Furthermore add 5 ml of perchloric acid, and heat until the sample is dissolved, and add 14 ml of sulfuric acid (1 + 1) and 5 ml of phosphoric acid. Continue heating untill fumes of sulfuric acid generate from it. Thereafter, transfer it with use of water into a polyethylene separating funnel, add 10 ml of hydrofluoric acid (46%) and dilute to 50 ml with water. Then, add 4 ml of iron (II) ammonium sulfate solution (10%) and mix it thoroughly. Allow to stand for two or three min, and add 10 ml of ammonium peroxy-sulfate solution (45%) and mix it thoroughly again. By this procedure vanadium is oxidized to vanadium (V) without any oxidation of chromium (III). Allow to stand for about five minutes. Then add exactly 20 ml of N-benzoyl-N-phenylhydroxylamine chloroform solution (0.1%) and shake it vigorously for two min. Then, determine vanadium by measuring absorbance at the wavelength of 530 nm against a chloroform reference. The interference of chromium can be eliminated by reduction to Cr (III) with iron (II) ammonium sulfate, while manganese and molybdenum do not interfere at 530 nm. In the determination of 100 μg vanadium, the following amounts of foreign ions are tolerated: Fe (III) and Ni 1 g, Cr (III) 500 mg, Al 200 mg, Mo (VI) 100 mg, Mn, Co (II), Ti (IV) and Nb (V) 50 mg, Si 20 mg, Cu 10 mg, Ta (V) and W (VI) 5 mg. (author)

  7. Synthesis, PASS-Predication and in Vitro Antimicrobial Activity of Benzyl 4-O-benzoyl-α-l-rhamnopyranoside Derivatives

    Science.gov (United States)

    Matin, Mohammed Mahbubul; Nath, Amit R.; Saad, Omar; Bhuiyan, Mohammad M. H.; Kadir, Farkaad A.; Abd Hamid, Sharifah Bee; Alhadi, Abeer A.; Ali, Md. Eaqub; Yehye, Wageeh A.

    2016-01-01

    Benzyl α-l-rhamnopyranoside 4, obtained by both conventional and microwave assisted glycosidation techniques, was subjected to 2,3-O-isopropylidene protection to yield compound 5 which on benzoylation and subsequent deprotection of isopropylidene group gave the desired 4-O-benzoylrhamnopyranoside 7 in reasonable yield. Di-O-acetyl derivative of benzoate 7 was prepared to get newer rhamnopyranoside. The structure activity relationship (SAR) of the designed compounds was performed along with the prediction of activity spectra for substances (PASS) training set. Experimental studies based on antimicrobial activities verified the predictions obtained by the PASS software. Protected rhamnopyranosides 5 and 6 exhibited slight distortion from regular 1C4 conformation, probably due to the fusion of pyranose and isopropylidene ring. Synthesized rhamnopyranosides 4–8 were employed as test chemicals for in vitro antimicrobial evaluation against eight human pathogenic bacteria and two fungi. Antimicrobial and SAR study showed that the rhamnopyranosides were prone against fungal organisms as compared to that of the bacterial pathogens. Interestingly, PASS prediction of the rhamnopyranoside derivatives 4–8 were 0.49 < Pa < 0.60 (where Pa is probability ‘to be active’) as antibacterial and 0.65 < Pa < 0.73 as antifungal activities, which showed significant agreement with experimental data, suggesting rhamnopyranoside derivatives 4–8 were more active against pathogenic fungi as compared to human pathogenic bacteria thus, there is a more than 50% chance that the rhamnopyranoside derivative structures 4–8 have not been reported with antimicrobial activity, making it a possible valuable lead compound. PMID:27618893

  8. An Eco-Friendly Ultrasound-Assisted Synthesis of Novel Fluorinated Pyridinium Salts-Based Hydrazones and Antimicrobial and Antitumor Screening.

    Science.gov (United States)

    Rezki, Nadjet; Al-Sodies, Salsabeel A; Aouad, Mohamed R; Bardaweel, Sanaa; Messali, Mouslim; El Ashry, El Sayed H

    2016-01-01

    The present work reports an efficient synthesis of fluorinated pyridinium salts-based hydrazones under both conventional and eco-friendly ultrasound procedures. The synthetic approach first involves the preparation of halogenated pyridinium salts through the condensation of isonicotinic acid hydrazide (1) with p-fluorobenzaldehyde (2) followed by the nucleophilic alkylation of the resulting N-(4-fluorobenzylidene)isonicotinohydrazide (3) with a different alkyl iodide. The iodide counteranion of 5-10 was subjected to an anion exchange metathesis reaction in the presence of an excess of the appropriate metal salts to afford a new series of fluorinated pyridinium salts tethering a hydrazone linkage 11-40. Ultrasound irradiation led to higher yields in considerably less time than the conventional methods. The newly synthesized ILs were well-characterized with FT-IR, ¹H NMR, (13)C NMR, (11)B, (19)F, (31)P and mass spectral analyses. The ILs were also screened for their antimicrobial and antitumor activities. Within the series, the salts tethering fluorinated counter anions 11-13, 21-23, 31-33 and 36-38 were found to be more potent against all bacterial and fungal strains at MIC 4-8 µg/mL. The in vitro antiproliferative activity was also investigated against four tumor cell lines (human ductal breast epithelial tumor T47D, human breast adenocarcinoma MCF-7, human epithelial carcinoma HeLa and human epithelial colorectal adenocarcinoma Caco-2) using the MTT assay, which revealed that promising antitumor activity was exhibited by compounds 5, 12 and 14. PMID:27213367

  9. An Eco-Friendly Ultrasound-Assisted Synthesis of Novel Fluorinated Pyridinium Salts-Based Hydrazones and Antimicrobial and Antitumor Screening

    Directory of Open Access Journals (Sweden)

    Nadjet Rezki

    2016-05-01

    Full Text Available The present work reports an efficient synthesis of fluorinated pyridinium salts-based hydrazones under both conventional and eco-friendly ultrasound procedures. The synthetic approach first involves the preparation of halogenated pyridinium salts through the condensation of isonicotinic acid hydrazide (1 with p-fluorobenzaldehyde (2 followed by the nucleophilic alkylation of the resulting N-(4-fluorobenzylideneisonicotinohydrazide (3 with a different alkyl iodide. The iodide counteranion of 5–10 was subjected to an anion exchange metathesis reaction in the presence of an excess of the appropriate metal salts to afford a new series of fluorinated pyridinium salts tethering a hydrazone linkage 11–40. Ultrasound irradiation led to higher yields in considerably less time than the conventional methods. The newly synthesized ILs were well-characterized with FT-IR, 1H NMR, 13C NMR, 11B, 19F, 31P and mass spectral analyses. The ILs were also screened for their antimicrobial and antitumor activities. Within the series, the salts tethering fluorinated counter anions 11–13, 21–23, 31–33 and 36–38 were found to be more potent against all bacterial and fungal strains at MIC 4–8 µg/mL. The in vitro antiproliferative activity was also investigated against four tumor cell lines (human ductal breast epithelial tumor T47D, human breast adenocarcinoma MCF-7, human epithelial carcinoma HeLa and human epithelial colorectal adenocarcinoma Caco-2 using the MTT assay, which revealed that promising antitumor activity was exhibited by compounds 5, 12 and 14.

  10. Para-(benzoyl)-phenylalanine as a potential inhibitor against LpxC of Leptospira spp.: homology modeling, docking, and molecular dynamics study.

    Science.gov (United States)

    Pradhan, Dibyabhaba; Priyadarshini, Vani; Munikumar, Manne; Swargam, Sandeep; Umamaheswari, Amineni; Bitla, Aparna

    2014-01-01

    Leptospira interrogans, a Gram-negative bacterial pathogen is the main cause of human leptospirosis. Lipid A is a highly immunoreactive endotoxic center of lipopolysaccharide (LPS) that anchors LPS into the outer membrane of Leptospira. Discovery of compounds inhibiting lipid-A biosynthetic pathway would be promising for dissolving the structural integrity of membrane leading to cell lysis and death of Leptospira. LpxC, a unique enzyme of lipid-A biosynthetic pathway was identified as common drug target of Leptospira. Herein, homology modeling, docking, and molecular dynamics (MD) simulations were employed to discover potential inhibitors of LpxC. A reliable tertiary structure of LpxC in complex with inhibitor BB-78485 was constructed in Modeller 9v8. A data-set of BB-78485 structural analogs were docked with LpxC in Maestro v9.2 virtual screening workflow, which implements three stage Glide docking protocol. Twelve lead molecules with better XP Gscore compared to BB-78485 were proposed as potential inhibitors of LpxC. Para-(benzoyl)-phenylalanine - that showed lowest XP Gscore (-10.35 kcal/mol) - was predicted to have best binding affinity towards LpxC. MD simulations were performed for LpxC and para-(benzoyl)-phenylalanine docking complex in Desmond v3.0. Trajectory analysis showed the docking complex and inter-molecular interactions was stable throughout the entire production part of MD simulations. The results indicate para-(benzoyl)-phenylalanine as a potent drug molecule against leptospirosis. An animated Interactive 3D Complement (I3DC) is available in Proteopedia at http://proteopedia.org/w/Journal:JBSD:10.

  11. STUDY ON BENZOYL PEROXIDE RAPID TEST STRIP%过氧化苯甲酰快速检测试纸的研究

    Institute of Scientific and Technical Information of China (English)

    谢岩黎; 李雪琴; 何保山; 王芬; 杨杰; 魏嘉

    2011-01-01

    Benzoyl peroxide has strong oxidation ability, and can react with potassium iodide to generate benzoic acid and iodine. Therefore, the rapid test strip can be prepared according to the principle of the color reaction of starch and iodide. A cellulose acetate membrane was used as the color layer, then was soaked in a color reagent mixture solution containing 0.4% gelatinized starch solution, 10% KI and 4% Na2CO3 for 5 minutes, and was dried under vacuum to obtain the test strip. A standard colourimetric card consisted often color blocks, and could show significant color order in the range of benzoyl peroxide 0 to 228 mg/L. The lowest detection limit of benzoyl peroxide in the flour was 36 mg/kg, and the relative error was 11.76% to 16.89%.%过氧化苯甲酰具有强氧化性,与碘化钾反应生成苯甲酸和碘,根据碘与淀粉反应呈蓝色的原理研究制作快速检测试纸.将醋酸纤维素膜作为显色层,浸入由0.4%的糊化淀粉溶液、10%KI和4%的Na2CO3组成的混合显色剂,浸泡5 min后,真空干燥制备出检测试纸;标准比色卡由10个色块组成,过氧化苯甲酰质量浓度在0~228 mg/L范围内色阶明显,对面粉中过氧化苯甲酰最低检出限为36 mg/kg,相对误差范围为11.76%~16.89%.

  12. N-(4-Substituted-benzoyl)-N'-(beta-d-glucopyranosyl)ureas as inhibitors of glycogen phosphorylase: Synthesis and evaluation by kinetic, crystallographic, and molecular modelling methods

    OpenAIRE

    Veronika Nagy; Nora Felfoeldi; Balint Konya; Praly, Jean-Pierre; Tibor Docsa; Pal Gergely; Chrysina, Evangelia D.; Tiraidis, Costas; Kosmopoulou, Magda N.; Alexacou, Kyra-Melinda; Konstantakaki, Maria; Leonidas, Demetres D.; Zographos, Spyros E.; Oikonomakos, Nikos G.; Kozmon, Stanislav

    2012-01-01

    N-(4-Substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas (substituents: Me, Ph, Cl, OH, OMe, NO2, NH2, COOH, and COOMe) were synthesised by ZnCl2 catalysed acylation of O-peracetylated beta-D-glucopyranosyl urea as well as in reactions of O-peracetylated or O-unprotected glucopyranosylamines and acyl-isocyanates. O-deprotections were carried out by base or acid catalysed transesterifications where necessary. Kinetic studies revealed that most of these compounds were low micromolar inhibitors...

  13. THE STRUCTURE OF 3,5-DI-O-BENZOYL-1,2-DIDEOXY-1-PHENYL-BETA-D-RIBOFURANOSE, C25H22O5

    OpenAIRE

    GUNNING, J.; Neidle, S; MILLICAN, T.; Eaton, M; MOCK, G.; Mann, J.

    1985-01-01

    Mr=402.4, orthorhombic, P212~2 l, a= 4-946 (1), b= 15.887 (2), c=26.555 (2)A, V= 2086.7 (5) A 3, Z = 4, D x = 1.28 gcm -a, Cu Ka, 2 = 1.5418/k, B = 6.868 cm -1, F(000) = 848, T= 293 K, final R =0.054 for 648 observed reflections. The molecule is propeller shaped. The benzoyl groups act as protecting groups and the phenyl group is a base substitute. The crystal structure does not involve any intermolecular stacking interactions between the phenyl groups. The molecule...

  14. Potentiometric studies on the chelation behaviour of ω-benzoyl-2-hydroxy-4-methoxy-3-methyl-acetophenone (BHMMA) with lanthanons

    International Nuclear Information System (INIS)

    The chelation behaviour of complexes of La(3), Pr(3), Nd(3), Sm(3), Y(3), Tb(3), Dy(3), Ho(3) with ω-benzoyl-2-hydroxy-4-methoxy-3-methyl-acetophenone has been studied potentiometrically in 75% (v/v) aqueous alcohol medium at various ionic strengths. The method of Bjerrum and Calvin, as modified by Irving and Rossotti, has been used to find values of n-bar and pL. The stability constants and the values of Smin have been calculated. The order of stability constants was found to be: La < Pr < Nd < Sm < Y < Tb < Dy < Ho. (Author)

  15. 光度法测定小麦粉中过氧化苯甲酰研究%Spectrophotometric Determination of Flour Benzoyl Peroxide

    Institute of Scientific and Technical Information of China (English)

    田林双; 于伟; 吴存兵; 顾鹏程; 周琳琨; 邱琳

    2013-01-01

    基于过氧化苯甲酰的氧化性,将Fe2+氧化成Fe3+,生成的Fe3+与硫氰酸盐在酸性乙醇介质中发生显色反应,建立小麦粉违禁添加剂过氧化苯甲酰检测新方法.对该方法进行试验条件研究,包括光谱吸收曲线、反应介质、酸含量、反应温度、反应时间、Fe2浓度、KSCN浓度、共存干扰物质等因素对检测结果的影响.最佳试验条件下,过氧化苯甲酰线性范围0.1~15 mg/L,相关系数R2=0.999 4,505 nm处表观摩尔吸光系数ε =2.136 5×104 L·mol-1·cm-1,检出限0.025 mg/L.利用该方法对市售小麦粉样品进行测定,回收率在97.2%~104.4%之间.%A new method for benzoyl peroxide detection was proposed.It was based on the principle that benzoyl peroxide oxidize ferrous iron to ferric ion,then color reaction between ferric ion and thiocyanate in ethanol and acid system can be quantified.Experimental conditions of the benzoyl peroxide detection method including absorption curve,reaction medium,acid content,reaction temperature,reaction time,ferrous iron content,thiocyanate content and interfering substances were studied in the research.Under the optimum conditions,the linear range of benzoyl peroxide concentration was 0.1 ~ 15 mg/L,with a correlation coefficient (R2) of 0.999 4 and a lower detection limit of 0.025 mg/L.The apparent molar adsorptivity of the coordination complex was 2.136 5 × 104 L · mol-1 · cm-1The recovery was at the range of 97.2% to 104.4% by this method to detect commercial flour samples.

  16. Identification of 2-[2-nitro-4-(trifluoromethyl)benzoyl]- cyclohexane-1,3-dione metabolites in urine of patients suffering from tyrosinemia type I with the use of 1H and 19F NMR spectroscopy.

    Science.gov (United States)

    Szczeciński, Przemysław; Lamparska, Diana; Gryff-Keller, Adam; Gradowska, Wanda

    2008-01-01

    Organic extracts of six urine samples from children treated with nitisinone, a medicine against tyrosinemia type I, were investigated by (1)H and (19)F NMR spectroscopy. The presence of unchanged 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC), 6-hydroxy-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC-OH) and 2-nitro-4-trifluoromethylbenzoic acid (NTFA) as well as a few other unidentified compounds containing CF(3) group was documented. PMID:19039335

  17. Identification of 2-[2-nitro-4-(trifluoromethyl)benzoyl]-cyclohexane-1,3-dione metabolites in urine of patients suffering from tyrosinemia type I with the use of 1H and 19F NMR spectroscopy

    International Nuclear Information System (INIS)

    Organic extracts of six urine samples from children treated with nitisinone, a medicine against tyrosinemia type I, were investigated by 1H and 19F NMR spectroscopy. The presence of unchanged 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC), 6-hydroxy-2-[2-nitro- 4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC-OH) and 2-nitro-4-trifluoromethylbenzoic acid (NTFA) as well as a few other unidentified compounds containing CF3 group was documented. (authors)

  18. NMR and DFT Calculation Study on Structures of 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC) and Its Two Metabolites Isolated from Urine of Patients Suffering from Tyrosinemia Type I.

    OpenAIRE

    Gryff-Keller, Adam; Szczeciński, Przemysław; Kraska-Dziadecka, Anna

    2010-01-01

    Abstract 2-[2-Nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC) is an active component of nitisinone, a medicine against tyrosinemia type I. Using 1H, 13C and 19F NMR spectroscopy it has been found that in urine of patients treated with nitisinone two compounds possessing CF3 group are always present. They have been isolated by TLC technique and identified as 4-hydroxy-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione and 5-hydroxy-2-[2-nitro-4-(trifluoromethy...

  19. 3.3.2. Synthesis, crystal structure and biological activity of 1-(phthalazin-1(2H-one[(Pyridin-2-ylethylidene]hydrazone and its cobalt (III complex

    Directory of Open Access Journals (Sweden)

    Felicite Majoumo-Mbe, Emmanuel N. Nfor*, Eric B. Sengeh, Romanus N. Njong and Offiong E. Offiong

    2015-11-01

    Full Text Available A new mononuclear complex of cobalt (III (2 with 1-(phthalazin-1(2H-one[(Pyridin-2-yl ethylidene] hydrazone ligand (1 has been synthesized and characterized by elemental analysis, IR and mass spectroscopic techniques. The crystal structures of the free ligand (1 and its complex (2 have been determined by single crystal X-ray diffraction technique. In complex 2 the hydrazone ligand chelates to the cobalt (III ion through nitrogen atoms in a tridentate manner, giving an octahedral geometry where the cobalt (II was oxidized to cobalt (III. The antifungal activity of ligand 1 and its complex 2 was studied against Aspergillus niger, Aspergillus flavus and Candida albicans. The results revealed modest activity of complex 2 against the tested organism with inhibition zones of 14, 15 and 14 mm, compared to the free ligand 1 with the inhibition zones of 12, 11 and 12 mm for A. niger, A. flavus, C. albicans respectively.

  20. MICROWAVE ASSISTED SYNTHESIS OF 3-(2-BENZOYL-6-HYDROXY-3-METHYL BENZO[b] FURAN-5-YL-5-(ARYL-4, 5-DIHYDRO-1H-PYRAZOLE CARBOTHIOAMIDES AND THEIR ANTIBACTERIAL ACTIVITY Mikrowellen unterstützte Synthese von 3 - (2-Benzoyl-6-HYDROXY-3-METHYL Benzo [b] furan-5-yl -5 - (ARYL -4, 5-DIHYDRO-1H-pyrazol CARBOTHIOAMIDES UND ihre antibakterielle Aktivität

    Directory of Open Access Journals (Sweden)

    Ashok D, Sudershan K,Khalilullah M

    2011-10-01

    Full Text Available A series of 3-(2-Benzoyl-6-hydroxy-3-methyl benzo[b] furan-5-yl-5-(aryl-4, 5-dihydro-1Hpyrazole carbothioamides have been prepared by the reaction of (E-1-(2-Benzoyl-6-hydroxy-3- methylbenzo[b]furan-5-yl-3-aryl-2-propen-1-ones with thiosemicarbazide in the presence of sodium hydroxide under microwave irradiation. The structures of newly synthesized compounds have been confirmed on the basis of elemental analysis, IR,1H-NMR,13C-NMR and mass spectral data. All the compounds were screened for their antibacterial activity.

  1. N-(4-Substituted-benzoyl)-N'-(β-d-glucopyranosyl)ureas as inhibitors of glycogen phosphorylase: Synthesis and evaluation by kinetic, crystallographic, and molecular modelling methods.

    Science.gov (United States)

    Nagy, Veronika; Felföldi, Nóra; Kónya, Bálint; Praly, Jean-Pierre; Docsa, Tibor; Gergely, Pál; Chrysina, Evangelia D; Tiraidis, Costas; Kosmopoulou, Magda N; Alexacou, Kyra-Melinda; Konstantakaki, Maria; Leonidas, Demetres D; Zographos, Spyros E; Oikonomakos, Nikos G; Kozmon, Stanislav; Tvaroška, Igor; Somsák, László

    2012-03-01

    N-(4-Substituted-benzoyl)-N'-(β-d-glucopyranosyl) ureas (substituents: Me, Ph, Cl, OH, OMe, NO(2), NH(2), COOH, and COOMe) were synthesised by ZnCl(2) catalysed acylation of O-peracetylated β-d-glucopyranosyl urea as well as in reactions of O-peracetylated or O-unprotected glucopyranosylamines and acyl-isocyanates. O-deprotections were carried out by base or acid catalysed transesterifications where necessary. Kinetic studies revealed that most of these compounds were low micromolar inhibitors of rabbit muscle glycogen phosphorylase b (RMGPb). The best inhibitor was the 4-methylbenzoyl compound (K(i)=2.3μM). Crystallographic analyses of complexes of several of the compounds with RMGPb showed that the analogues exploited, together with water molecules, the available space at the β-pocket subsite and induced a more extended shift of the 280s loop compared to RMGPb in complex with the unsubstituted benzoyl urea. The results suggest the key role of the water molecules in ligand binding and structure-based ligand design. Molecular docking study of selected inhibitors was done to show the ability of the binding affinity prediction. The binding affinity of the highest scored docked poses was calculated and correlated with experimentally measured K(i) values. Results show that correlation is high with the R-squared (R(2)) coefficient over 0.9. PMID:22325154

  2. Formulation and evaluation of a topical niosomal gel containing a combination of benzoyl peroxide and tretinoin for antiacne activity.

    Science.gov (United States)

    Gupta, Ankush; Singh, Sima; Kotla, Niranjan G; Webster, Thomas J

    2015-01-01

    A skin disease, like acne, is very common and normally happens to everyone at least once in their lifetime. The structure of the stratum corneum is often compared with a brick wall, with corneocytes surrounded by the mortar of the intercellular lipid lamellae. One of the best options for successful drug delivery to the affected area of skin is the use of elastic vesicles (niosomes) which can be transported through the skin through channel-like structures. In this study, a combination of tretinoin (keratolytic agent) and benzoyl peroxide (BPO) (a potent antibacterial) was given by using niosomes as promising carriers for the effective treatment of acne by acting on a pathogenic site. In this section, niosomal gel formulation encapsulated drugs have been evaluated for in vitro, ex vivo, and in vivo, for their predetermined characteristics; and finally the stability of the niosome gel was tested at different temperature conditions for understanding of the storage conditions required for maintaining the quality of formulation attributes. The prepared niosome was found to be in the range of 531 nm with a zeta potential of -43 mV; the entrapment efficiencies of tretinoin (TRA) and BPO niosomes were found to be 96.25%±0.56% and 98.75%±1.25%, respectively. The permeated amount of TRA and BPO from the niosomal gel after 24 hours was calculated as 6.25±0.14 μg/cm(2) and 5.04±0.014 μg/cm(2), respectively. A comparative drug retention study in Wistar rat skin using cream, an alcoholic solution, and a niosomal gel showed 11.54 μg, 2.68 μg, and 15.54 μg amounts of TRA and 68.85 μg, 59.98 μg, and 143.78 μg amounts of BPO were retained in the layers of skin, respectively. In vivo studies of the niosomal gel and antiacne cream of TRA and BPO showed that the niosomal gel was more efficacious than the antiacne cream because niosomal gels with a 4.16-fold lower dose of BPO provided the same therapeutic index at targeted sites in comparison to the antiacne cream.

  3. Formulation and evaluation of a topical niosomal gel containing a combination of benzoyl peroxide and tretinoin for antiacne activity

    Directory of Open Access Journals (Sweden)

    Gupta A

    2014-12-01

    Full Text Available Ankush Gupta,1,* Sima Singh,1,* Niranjan G Kotla,1 Thomas J Webster2,3 1Department of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, India; 2Department of Chemical Engineering, Northeastern University, Boston, MA, USA; 3Center of Excellence for Advanced Materials Research, King Abdulaziz University, Jeddah, Saudi Arabia *These authors contributed equally to this work Abstract: A skin disease, like acne, is very common and normally happens to everyone at least once in their lifetime. The structure of the stratum corneum is often compared with a brick wall, with corneocytes surrounded by the mortar of the intercellular lipid lamellae. One of the best options for successful drug delivery to the affected area of skin is the use of elastic vesicles (niosomes which can be transported through the skin through channel-like structures. In this study, a combination of tretinoin (keratolytic agent and benzoyl peroxide (BPO (a potent antibacterial was given by using niosomes as promising carriers for the effective treatment of acne by acting on a pathogenic site. In this section, niosomal gel formulation encapsulated drugs have been evaluated for in vitro, ex vivo, and in vivo, for their predetermined characteristics; and finally the stability of the niosome gel was tested at different temperature conditions for understanding of the storage conditions required for maintaining the quality of formulation attributes. The prepared niosome was found to be in the range of 531 nm with a zeta potential of -43 mV; the entrapment efficiencies of tretinoin (TRA and BPO niosomes were found to be 96.25%±0.56% and 98.75%±1.25%, respectively. The permeated amount of TRA and BPO from the niosomal gel after 24 hours was calculated as 6.25±0.14 µg/cm2 and 5.04±0.014 µg/cm2, respectively. A comparative drug retention study in Wistar rat skin using cream, an alcoholic solution, and a niosomal gel showed 11.54 µg, 2.68 µg, and 15.54 µg

  4. Spectrophotometric Determination of Cu2+ and Monitoring of Hg2+ and Ni2+ in some Iranian Vegetables Using 6-(2-Naphthyl)-2, 3-Dihydro-as-triazine-3-thione

    Science.gov (United States)

    Shamsa, Fazel; Barazande Tehrani, Malehe; Mehravar, Hamid; Mohammadi, Elaheh

    2013-01-01

    Recently, 6-(2-naphthyl)-2, 3-dihydro-as-triazine-3-thione (NDTT) was synthesized in laboratory and used successfully for the spectrophotometric determination of nanogram levels of Cu2+ in aqueous solution. This reagent forms a specific red complex with Cu2+ ions after the extraction by chloroform at alkaline pH. The absorption of the complex in the UV region (313 nm) is about 8 times as strong as in the visible one (510 nm). Mercury and nickel ions form yellow complexes with NDTT under the same conditions which interfere in the UV region and without effect on Cu (II) absorbance in the visible region. The studied vegetables include Mentha pipereta L., Anethum graveolens L., Beta vulgaris L., Coriandrum sativum, Petroselinum hortense H., Ocimum basilicum L., Spinacia oleracea L., Lactuca sativa L., and Brassica oleracea L. PMID:24250566

  5. Spectrophotometric Determination of Cu(2+) and Monitoring of Hg(2+) and Ni(2+) in some Iranian Vegetables Using 6-(2-Naphthyl)-2, 3-Dihydro-as-triazine-3-thione.

    Science.gov (United States)

    Shamsa, Fazel; Barazande Tehrani, Malehe; Mehravar, Hamid; Mohammadi, Elaheh

    2013-01-01

    Recently, 6-(2-naphthyl)-2, 3-dihydro-as-triazine-3-thione (NDTT) was synthesized in laboratory and used successfully for the spectrophotometric determination of nanogram levels of Cu(2+) in aqueous solution. This reagent forms a specific red complex with Cu(2+) ions after the extraction by chloroform at alkaline pH. The absorption of the complex in the UV region (313 nm) is about 8 times as strong as in the visible one (510 nm). Mercury and nickel ions form yellow complexes with NDTT under the same conditions which interfere in the UV region and without effect on Cu (II) absorbance in the visible region. The studied vegetables include Mentha pipereta L., Anethum graveolens L., Beta vulgaris L., Coriandrum sativum, Petroselinum hortense H., Ocimum basilicum L., Spinacia oleracea L., Lactuca sativa L., and Brassica oleracea L. PMID:24250566

  6. Study on polarities of methylphenylpolysiloxanes in gas chromatography

    International Nuclear Information System (INIS)

    When studying the correlations between molecular structure and retention parameters in alcohols, alcohol benzoyl derivatives and carbonyl 2,4-dinitrophe nyl hydrazones some anomalies probably due to polarities of methylphenylpolysiloxane stationary phases have been observed. (Author) 31 refs

  7. Determination of the Tautomeric Equilibria of Pyridoyl Benzoyl -Diketones in the Liquid and Solid State through the use of Deuterium Isotope Effects on 1H and 13C NMR Chemical Shifts and Spin Coupling Constants

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Borisov, Eugeny V.; Lindon, John C.

    2015-01-01

    The tautomeric equilibria for 2-pyridoyl-, 3-pyridoyl-, and 4-pyridoyl-benzoyl methane have been investigated using deuterium isotope effects on 1H and 13C chemical shifts both in the liquid and the solid state. Equilibria are established both in the liquid and the solid state. In addition, in th...

  8. Kinetics of hydrolysis of 1-benzoyl-1,2,4-triazole in aqueous solution as a function of temperature near the temperature of maximum density, and the isochoric controversy

    NARCIS (Netherlands)

    Blandamer, MJ; Buurma, NJ; Engberts, JBFN; Reis, JCR; Buurma, Niklaas J.; Reis, João C.R.

    2003-01-01

    At temperatures above and below the temperature of maximum density, TMD, for water at ambient pressure, pairs of temperatures exist at which the molar volumes of water are equal. First-order rate constants for the pH-independent hydrolysis of 1-benzoyl-1,2,4-triazole in aqueous solution at pairs of

  9. KINETICS OF HYDROLYSIS IN AQUEOUS-SOLUTION OF 1-BENZOYL-1,2,4-TRIAZOLE - THE ROLE OF PAIRWISE AND TRIPLET GIBBS ENERGY INTERACTION PARAMETERS IN DESCRIBING THE EFFECTS OF ADDED SALTS AND ADDED ALCOHOLS

    NARCIS (Netherlands)

    NOORDMAN, WH; BLOKZIJL, W; ENGBERTS, JBF; BLANDAMER, MJ

    1995-01-01

    Kinetic data are reported for the spontaneous hydrolysis of 1-benzoyl-1,2,4-triazole in aqueous solutions at ambient-pressure and 298.2 K, in aqueous solutions containing added ethanol, propanol and sodium chloride. Kinetic-data are also reported for the same reaction in aqueous mixtures of sodium c

  10. Kinetics of hydrolysis in aqueous solution of 1-benzoyl-1,2,4-triazole; the role of pairwise and triplet Gibbs energy interaction parameters in describing the effects of added salts and added alcohols

    NARCIS (Netherlands)

    Noordman, Wouter H.; Blokzijl, Wilfried; Engberts, Jan B.F.N.; Blandamer, Michael J.

    1995-01-01

    Kinetic data are reported for the spontaneous hydrolysis of 1-benzoyl-1,2,4-triazole in aqueous solutions at ambient pressure and 298.2 K, in aqueous solutions containing added ethanol, propanol and sodium chloride. Kinetic data are also reported for the same reaction in aqueous mixtures of sodium c

  11. An efficient PEGylated liposomal nanocarrier containing cell-penetrating peptide and pH-sensitive hydrazone bond for enhancing tumor-targeted drug delivery

    Directory of Open Access Journals (Sweden)

    Ding Y

    2015-10-01

    Full Text Available Yuan Ding,1,* Dan Sun,1,* Gui-Ling Wang,1 Hong-Ge Yang,1 Hai-Feng Xu,1 Jian-Hua Chen,2 Ying Xie,1,3 Zhi-Qiang Wang4 1Beijing Key Laboratory of Molecular Pharmaceutics and New Drug Delivery Systems, School of Pharmaceutical Sciences, Peking University, Beijing, 2School of Medicine, Jianghan University, Wuhan, 3State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing, People’s Republic of China; 4Department of Chemistry and Biochemistry, Kent State University Geauga, Burton, OH, USA *These authors contributed equally to this work Abstract: Cell-penetrating peptides (CPPs as small molecular transporters with abilities of cell penetrating, internalization, and endosomal escape have potential prospect in drug delivery systems. However, a bottleneck hampering their application is the poor specificity for cells. By utilizing the function of hydration shell of polyethylene glycol (PEG and acid sensitivity of hydrazone bond, we constructed a kind of CPP-modified pH-sensitive PEGylated liposomes (CPPL to improve the selectivity of these peptides for tumor targeting. In CPPL, CPP was directly attached to liposome surfaces via coupling with stearate (STR to avoid the hindrance of PEG as a linker on the penetrating efficiency of CPP. A PEG derivative by conjugating PEG with STR via acid-degradable hydrazone bond (PEG2000-Hz-STR, PHS was synthesized. High-performance liquid chromatography and flow cytometry demonstrated that PHS was stable at normal neutral conditions and PEG could be completely cleaved from liposome surface to expose CPP under acidic environments in tumor. An optimal CPP density on liposomes was screened to guaranty a maximum targeting efficiency on tumor cells as well as not being captured by normal cells that consequently lead to a long circulation in blood. In vitro and in vivo studies indicated, in 4 mol% CPP of lipid modified system, that CPP exerted higher efficiency on internalizing the liposomes into

  12. Interaction of Di-2-pyridylketone 2-pyridine Carboxylic Acid Hydrazone and Its Copper Complex with BSA: Effect on Antitumor Activity as Revealed by Spectroscopic Studies.

    Science.gov (United States)

    Li, Cuiping; Huang, Tengfei; Fu, Yun; Liu, Youxun; Zhou, Sufeng; Qi, Zhangyang; Li, Changzheng

    2016-04-28

    The drug, di-2-pyridylketone-2-pyridine carboxylic acid hydrazone (DPPCAH) and its copper complex (DPPCAH-Cu) exhibit significant antitumor activity. However, the mechanism of their pharmacological interaction with the biological molecule bovine serum albumin (BSA) remains poorly understood. The present study elucidates the interactions between the drug and BSA through MTT assays, spectroscopic methods and molecular docking analysis. Our results indicate that BSA could attenuate effect on the cytotoxicity of DPPCAH, but not DPPCAH-Cu. Data from fluorescence quenching measurements demonstrated that both DPPCAH and DPPCAH-Cu could bind to BSA, with a reversed effect on the environment of tryptophan residues in polarity. CD spectra revealed that the DPPCAH-Cu exerted a slightly stronger effect on the secondary structure of BSA than DPPCAH. The association constant of DPPCAH with BSA was greater than that of DPPCAH-Cu. Docking studies indicated that the binding of DPPCAH to BSA involved a greater number of hydrogen bonds compared to DPPCAH-Cu. The calculated distances between bound ligands and tryptophans in BSA were in agreement with fluorescence resonance energy transfer results. Thus, the binding affinity of the drug (DPPCAH or DPPCAH-Cu) with BSA partially contributes to its antitumor activity; the greater the drug affinity is to BSA, the less is its antitumor activity.

  13. A highly selective turn-on fluorescent probe for hypochlorous acid based on hypochlorous acid-induced oxidative intramolecular cyclization of boron dipyrromethene-hydrazone

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wei-Chieh; Venkatesan, Parthiban; Wu, Shu-Pao, E-mail: spwu@mail.nctu.edu.tw

    2015-07-02

    Highlights: • A BODIPY-based fluorescent probe for sensing HOCl was developed. • The probe utilizes the HOCl-promoted cyclization in response to the amount of HOCl. • The probe might have application in the investigation of HOCl in biological systems. - Abstract: A BODIPY-based fluorescent probe, HBP, was developed for the detection of hypochlorous acid based on the specific hypochlorous acid-promoted oxidative intramolecular cyclization of heterocyclic hydrazone in response to the amount of HOCl. The reaction is accompanied by a 41-fold increase in the fluorescent quantum yield (from 0.004 to 0.164). The fluorescence intensity of the reaction between HOCl and HBP is linear in the HOCl concentration range of 1–8 μM with a detection limit of 2.4 nM (S/N = 3). Confocal fluorescence microscopy imaging using RAW264.7 cells showed that the new probe HBP could be used as an effective fluorescent probe for detecting HOCl in living cells.

  14. Effect of the protonophore carbonyl cyanide-p-trifluoromethoxyphenyl-hydrazon on the glutamate release from rat brain nerve terminals under altered gravity conditions.

    Science.gov (United States)

    Borisova, T.; Krisanova, N.

    L-glutamate acts within the mammalian central nervous system as the predominant excitatory neurotransmitter and as a potent neurotoxin The balance between these physiological and pathological actions of glutamate is thought to be kept in check by the rapid removal of the neurotransmitter from the synaptic cleft The majority of uptake is mediated by the high-affinity Na -dependent glutamate transporters Depolarization leads to stimulation of glutamate efflux mediated by reversal of the high-affinity glutamate transporters The effects of the protonophore carbonyl cyanide-p-trifluoromethoxyphenyl-hydrazon FCCP on the glutamate release from isolated nerve terminals rat brain synaptosomes were investigated in control and after centrifuge-induced hypergravity rats were rotated in a long-arm centrifuge at ten-G during one-hour period The treatment of synaptosomes with 1 mu M FCCP during 11 min resulted in the increase in L- 14 C glutamate release by 23 0 pm 2 3 of total accumulated synaptosomal label in control animals and 24 0 pm 2 3 animals subjected to hypergravity FCCP evoked release of L- 14 C glutamate from synaptosomes was not altered in animals exposed to hypergravity as compared to control Glutamate transport is of electrogenic nature and thus depends on the membrane potential The high-KCl stimulated L- 14 C glutamate release in Ca 2 -free media occurred due to reversal of the glutamate transporters Carrier --mediated release of L- 14 C glutamate 6 min slightly increased as a result of

  15. Reactivity Differences between [alpha, beta]-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Grabowsky, Simon; Weber, Manuela; Jayatilaka, Dylan; Chen, Yu-Sheng; Grabowski, Matthias T.; Brehme, Rainer; Hesse, Malte; Schirmeister, Tanja; Luger, Peter (UWA); (Wurzburg); (UC); (Berlin)

    2012-10-11

    It is still a challenge to predict a compound's reactivity from its ground-state electronic nature although Bader-type topological analyses of the electron density (ED) and electron localizability indicator (ELI) give detailed and useful information on electron concentration and electron-pair localization, respectively. Both ED and ELI can be obtained from theoretical calculations as well as high-resolution X-ray diffraction experiments. Besides ED and ELI descriptors, the delocalization index is used here; it is likewise derived from theoretical calculations as well as from experimental X-ray results, but in the latter case, demonstrated here for the first time. We investigate {alpha},{beta}-unsaturated carbonyl and hydrazone compounds because resonance exhibited by these compounds in the electronic ground-state determines their reactive behavior. The degree of resonance as well as the reactivity contrast are quantified with the electronic descriptors. Moreover, competitive mesomeric substituent effects are studied using the two biologically important compounds acrolein and acrylamide. The reactivity differences predicted from the analyses are in line with the known reactivity of these compounds in organic synthesis. Hence, the capability of the ED and ELI for rationalizing and predicting different and competing substituent effects with respect to reactivity is demonstrated.

  16. Cellular Delivery of Doxorubicin via pH-Controlled Hydrazone Linkage Using Multifunctional Nano Vehicle Based on Poly(β-L-Malic Acid

    Directory of Open Access Journals (Sweden)

    Keith L. Black

    2012-09-01

    Full Text Available Doxorubicin (DOX is currently used in cancer chemotherapy to treat many tumors and shows improved delivery, reduced toxicity and higher treatment efficacy when being part of nanoscale delivery systems. However, a major drawback remains its toxicity to healthy tissue and the development of multi-drug resistance during prolonged treatment. This is why in our work we aimed to improve DOX delivery and reduce the toxicity by chemical conjugation with a new nanoplatform based on polymalic acid. For delivery into recipient cancer cells, DOX was conjugated via pH-sensitive hydrazone linkage along with polyethylene glycol (PEG to a biodegradable, non-toxic and non-immunogenic nanoconjugate platform: poly(β-L-malic acid (PMLA. DOX-nanoconjugates were found stable under physiological conditions and shown to successfully inhibit in vitro cancer cell growth of several invasive breast carcinoma cell lines such as MDA-MB-231 and MDA-MB- 468 and of primary glioma cell lines such as U87MG and U251.

  17. Mono- and binuclear copper(II) complexes of new hydrazone ligands derived from 4,6-diacetylresorcinol: Synthesis, spectral studies and antimicrobial activity

    Science.gov (United States)

    Shebl, Magdy; El-ghamry, Mosad A.; Khalil, Saied M. E.; Kishk, Mona A. A.

    Two new hydrazone ligands, H2L1 and H2L2, were synthesized by the condensation of 4,6-diacetylresorcinol with 3-hydrazino-5,6-diphenyl-1,2,4-triazine and isatin monohydrazone, respectively. The structures of the ligands were elucidated by elemental analyses, IR, 1H NMR, electronic and mass spectra. Reactions of the ligands with several copper(II) salts, including AcO-, NO3-, SO42-, Cl- and Br- afforded mono- and binuclear metal complexes. Also, the ligands were allowed to react with Cu(II) ion in the presence of a secondary ligand (L‧) [N,O-donor; 8-hydroxyquinoline, N,N-donor; 1,10-phenanthroline or O,O-donor; benzoylacetone]. Characterization and structure elucidation of the prepared complexes were achieved by elemental and thermal analyses, IR, electronic, mass and ESR spectra as well as conductivity and magnetic susceptibility measurements. The ESR spin Hamiltonian parameters of some complexes were calculated. The spectroscopic data showed that the H2L1 ligand acts as a neutral or monobasic tridentate ligand while the H2L2 ligand acts as a bis(monobasic tridentate) ligand. The coordination sites with the copper(II) ion are phenolic oxygen, azomethine nitrogen and triazinic nitrogen (H2L1 ligand) or isatinic oxygen (H2L2 ligand). The metal complexes exhibited octahedral and square planar geometrical arrangements depending on the nature of the anion. The ligands and some metal complexes showed antimicrobial activity.

  18. Mixed-ligand chelate extraction of trivalent lanthanides and actinides with 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 and dihexyl-n, n-diethylcarbamoylmethyl phosphonate

    International Nuclear Information System (INIS)

    Mixed-ligand chelate extraction of trivalent lanthanides such as La, Eu and Lu and a trivalent actinide, Am into xylene with mixtures of 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HPMBP) and dihexyl-N, N-diathylcarbamoylmethylphosphonate (CMP) has been studied by tracer techniques. These trivalent metal ions are found to be extracted from 0.01 mol/dm3 chloroacetate buffer solutions as M(PMBP)3 x HPMBP type self adducts with HPMBP alone and in the presence of CMP as M(PMBP)3 x CMP (where M= La, Eu, Lu and Am) into the organic phase. The equilibrium constants of the above species are deduced by non-linear regression analysis. The synergistic constants of trivalent lanthanides do not increase monotonically with atomic number but have a maximum at Eu and that of Am was found to lie between that of La and Eu. (author). 12 refs., 3 figs., 3 tabs

  19. Synthesis, Structure Characterization, and Cu2+ Recognition of 3-{[3-(Phenylsulfonamido)benzoyl]methylidene}-3,4-dihydroquinoxaline-2(1H)-one

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Aryl diketo acid derivatives are one of the most promising HIV-1 integrase(IN) inhibitors. With a view to substitute the critical diketo acid pharmacophore with the diketo benzimidazole unit, the coupling reaction of compound 4 with o -phenylenediamine was carried out. However, the reaction product, compound 5, was confirmed to be 3-{[3-(phenylsulfonamido)benzoyl]methylidene}-3,4-dihydroquinoxaline-2(1H)-one rather than the2-benzimidazole derivative by using X-ray diffraction. Owing to its low solubility in water, the evaluation of the anti-HIV IN activity of the synthesized compound 5 could not be carried out. Consequently, the ion-binding properties of compound 5 in the absence of HIV-1 IN were investigated with UV-Vis spectroscopy in organic solvents. The results show that such a compound can selectively recognize Cu2+ .

  20. SYNTHESIS, COMPUTATIONAL STUDY AND PRELIMINARY PHARMACOLOGICAL EVALUATION OF 2-[4-(2-CHLOROBENZYL/BENZOYL SUBSTITUTED PIPERAZIN-1-YL]-N-PHENYLACETAMIDE: POTENTIAL ANTIPSYCHOTICS

    Directory of Open Access Journals (Sweden)

    Tomar Amita

    2011-06-01

    Full Text Available Benzyl and benzoyl substituted acetamides have been synthesized and evaluated as potential antipsychotic agents. The target compounds (4a-b were prepared by reaction of substituted anilines with chloroacetylchloride which further treated with 2-chlorobenzyl or 2-chlorobenzoyl piperazine in presence of potassium carbonate and potassium iodide as catalyst in acetonitrile. The structures of the target compounds (4a-b were characterized on the basis of their M.P., TLC, IR and 1H-NMR data. Computational studies of target compounds (4a-b were carried out by using software programs. The target compounds showed good similarity with respect to standard drugs. The target compounds (4a-b showed inhibition of 5-HTP induced head twitches behavior and low induction of catalepsy in mice.

  1. Ammonia-treated N-(1-naphthyl) ethylenediamine dihydrochloride as a novel matrix for rapid quantitative and qualitative determination of serum free fatty acids by matrix-assisted laser desorption/ionization-Fourier transform ion cyclotron resonance mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yaping [Department of Biophysics and Structural Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences and School of Basic Medicine, Peking Union Medical College, 5 Dongdan San Tiao, Beijing 100005 (China); Wang, Yanmin [Department of Clinical Laboratory, Heze Municipal Hospital, Shandong (China); Guo, Shuai; Guo, Yumei; Liu, Hui [Department of Biophysics and Structural Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences and School of Basic Medicine, Peking Union Medical College, 5 Dongdan San Tiao, Beijing 100005 (China); Li, Zhili, E-mail: lizhili@ibms.pumc.edu.cn [Department of Biophysics and Structural Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences and School of Basic Medicine, Peking Union Medical College, 5 Dongdan San Tiao, Beijing 100005 (China)

    2013-09-10

    Graphical abstract: -- Highlights: •A novel MALDI matrix for the detection of serum free fatty acids is ammonia-treated N-(1-naphthyl) ethylenediamine dihydrochloride. •Multiple point internal standard calibration curves were constructed for nine FFAs, respectively, with excellent correlation coefficients between 0.991 and 0.999. •The MALDI-MS approach was used to rapidly differentiate the patients with and without hyperglycemia and healthy controls. -- Abstract: The blood free fatty acids (FFAs), which provide energy to the cell and act as substrates in the synthesis of fats, lipoproteins, liposaccharides, and eicosanoids, involve in a number of important physiological processes. In the present study, matrix-assisted laser desorption/ionization-Fourier transform ion cyclotron resonance mass spectrometry (MALDI-FTICR MS) with ammonia-treated N-(1-naphthyl) ethylenediamine dihydrochloride (ATNEDC) as a novel MALDI matrix in a negative ion mode was employed to directly quantify serum FFAs. Multiple point internal standard calibration curves between the concentration ratios of individual fatty acids to internal standard (IS, C{sub 17:0}) versus their corresponding intensity ratios were constructed for C{sub 14:0}, C{sub 16:1}, C{sub 16:0}, C{sub 18:0}, C{sub 18:1}, C{sub 18:2}, C{sub 18:3}, C{sub 20:4}, and C{sub 22:6}, respectively, in their mixture, with correlation coefficients between 0.991 and 0.999 and limits of detection (LODs) between 0.2 and 5.4 μM, along with the linear dynamic range of more than two orders of magnitude. The results indicate that the multiple point internal standard calibration could reduce the impact of ion suppression and improve quantification accuracy in the MALDI mode. The quantitative results of nine FFAs from 339 serum samples, including 161 healthy controls, 118 patients with hyperglycemia and 60 patients without hyperglycemia show that FFAs levels in hyperglycemic patient sera are significantly higher than those in healthy

  2. Application of 3-methylbenzothiazolin-2-one hydrazone for the quantitative spectrophotometric determination of oxcarbazepine in pharmaceuticals with cerium(IV) and periodate

    Science.gov (United States)

    Rajendraprasad, N.; Basavaiah, K.; Vinay, K. B.

    2012-09-01

    Two simple, sensitive, selective, accurate, and cost-effective spectrophotometric methods are described for the assay of oxcarbazepine (OXC) in bulk drug and in tablets. The methods are based on an oxidative coupling reaction involving OXC, 3-methylbenzothiazolin-2-one hydrazone (MBTH), and cerium(IV) sulfate at pH 4.28 ± 0.07 (method A) or sodium periodate at pH > 4.0 (method B) to form an orange colored product with an absorption maximum at 450 nm. Under optimized experimental conditions, the calibration graphs are linear over the ranges of 4-80 and 2-32 μg/ml for methods A and B, respectively, with correlation coefficient (r) values of 0.9984 and 0.9976. The apparent molar absorptivity values are 3.13ṡ103 and 9.13ṡ103 l/molṡcm for methods A and B, respectively. The other optical characteristics such as Sandell's sensitivity, limits of detection (LOD) and quantification (LOQ) values are also reported. The accuracy and precision of the methods were evaluated based on intra-day and inter-day variations. The proposed methods were successfully applied to the determination of OXC in tablets: the results were comparable with the published data obtained using the reference method. The reaction stoichiometry of OXC with MBTH (1:1 in method A and 1:2 in method B) was also evaluated using the limiting logarithmic method, and a possible reaction pathway is presented for the both methods.

  3. Synthesis and structure characterization of a new aromatic hydrazone%一种新型芳香酰腙的合成与结构表征

    Institute of Scientific and Technical Information of China (English)

    唐小冬; 郑长征; 田晓雪

    2011-01-01

    The title compound of l-(4-methoxyphenyl) ethanone 4-chlorob-en2oyl hydrazone was synthesized by the reaction of 4-methoxyphenyl ethyl ketone and 4-chlorobenzoyl hydrazine. The structure of the compound was characterized by elemental analysis and X-ray diffraction. It was assigned to orthorhombic crystal sy-stem, space group Pca2(l),cell data:a=0. 850 7(5)nm,a =90°,6 =0.557 1 (3)nm,£ = 90°, c = 3.215 4(18)nm,y = 90°,V = 1.523 9(14)nm3,Z=4,F(000) =632,/?, =0.031 7 [/ >2sigma(/)] ,wR2 =0.089 6. CCDC is 826 435.%目标化合物1-(4-甲氧基苯基)乙酮4-氯苯甲酰腙,由4-甲氧基苯基乙酮和4-氯苯甲酰肼通过脱水缩合反应制得,通过元素分析和X射线单晶衍射对目标化合物进行结构表征.检测数据表明,该新型酰腙为正交晶系,空间群为Pca2(1),晶胞学数据为α=0.850 7(5)nm,α=90°,b=0.557 1 (3) nm,β=90 °,c=3.215 4(18)nm,y=90°,V=1.523 9(14)nm3,Z =4,F(000)=632,R1 =0.031 7 [I>2sigma(I)],wR2=0.089 6.CCDC为826 435.

  4. Synthesis and quantitative structure-activity relationship (QSAR) study of novel N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives as nematicidal agents.

    Science.gov (United States)

    Che, Zhiping; Zhang, Shaoyong; Shao, Yonghua; Fan, Lingling; Xu, Hui; Yu, Xiang; Zhi, Xiaoyan; Yao, Xiaojun; Zhang, Rui

    2013-06-19

    In continuation of our program aimed at the discovery and development of natural-product-based pesticidal agents, 54 novel N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives were prepared, and their structures were well characterized by ¹H NMR, ¹³C NMR, HRMS, ESI-MS, and mp. Their nematicidal activity was evaluated against that of the pine wood nematode, Bursaphelenchus xylophilus in vivo. Among all of the derivatives, especially V-12 and V-39 displayed the best promising nematicidal activity with LC₅₀ values of 1.0969 and 1.2632 mg/L, respectively. This suggested that introduction of R¹ and R² together as the electron-withdrawing substituents, R³ as the methyl group, and R⁴ as the phenyl with the electron-donating substituents could be taken into account for further preparation of these kinds of compounds as nematicidal agents. Six selected descriptors are a WHIM descriptor (E1m), two GETAWAY descriptors (R1m+ and R3m+), a Burden eigenvalues descriptor (BEHm8), and two edge-adjacency index descriptors (EEig05x and EEig13d). Quantitative structure-activity relationship (QSAR) studies demonstrated that the structural factors, such as molecular mass (a negative correlation with the bioactivity) and molecular polarity (a positive correlation with bioactivity), are likely to govern the nematicidal activities of these compounds. For this model, the correlation coefficient (R²(training set)), the leave-one-out cross-validation correlation coefficient (Q²(LOO)), and the 7-fold cross-validation correlation coefficient (Q²(7-fold)) were 0.791, 0.701, and 0.715, respectively. The external cross-validation correlation coefficient (Q²ext) and the root-mean-square error for the test set (RMSE(test set)) were 0.774 and 3.412, respectively. This study will pave the way for future design, structural modification, and development of indole derivatives as nematicidal agents. PMID:23738496

  5. Benzoyl-coenzyme A reductase (dearomatizing), a key enzyme of anaerobic aromatic metabolism. ATP dependence of the reaction, purification and some properties of the enzyme from Thauera aromatica strain K172.

    Science.gov (United States)

    Boll, M; Fuchs, G

    1995-12-15

    Anoxic metabolism of many aromatic compounds proceeds via the common intermediate benzoyl-CoA. Benzoyl-CoA is dearomatized by benzoyl-CoA reductase (dearomatizing) in a two-electron reduction step, possibly yielding cyclohex-1,5-diene-1-carboxyl-CoA. This process has to overcome a high activation energy and is considered a biological Birch reduction. The central, aromatic-ring-reducing enzyme was investigated for the first time in the denitrifying bacterium Thauera aromatica strain K172. A spectrophotometric assay was developed which was strictly dependent on MgATP, both with cell extract and with purified enzyme. The oxygen-sensitive new enzyme was purified 35-fold with 20% yield under anaerobic conditions in the presence of 0.25 mM dithionite. It had a native molecular mass of approximately 170 kDa and consisted of four subunits a,b,c,d of 48, 45, 38 and 32 kDa. The oligomer composition of the protein most likely is abcd. The ultraviolet/visible spectrum of the protein as isolated, but without dithionite, was characteristic for an iron-sulfur protein with an absorption maximum at 279 nm and a broad shoulder at 390 nm. The estimated molar absorption coefficient at 390 nm was 35,000 M-1 cm-1. Reduction of the enzyme by dithionite resulted in a decrease of absorbance at 390 nm, and the colour turned from greenish-brown to red-brown. The enzyme contained 10.8 +/- 1.5 mol Fe and 10.5 +/- 1.5 mol acid-labile sulfur/mol. Besides zinc (0.5 mol/mol protein) no other metals nor selenium could be detected in significant amounts. The enzyme preparation contained a flavin or flavin-like compound; the estimated content was 0.3 mol/mol enzyme. The enzyme reaction required MgATP and a strong reductant such as Ti(III). The reaction catalyzed is: benzoyl-CoA + 2 Ti(III) + n ATP-->non-aromatic acyl-CoA + 2 Ti(IV) + n ADP + n Pi. The estimated number n of ATP molecules hydrolyzed/two electrons transferred in benzoyl-CoA reduction is 2-4. In the absence of benzoyl-CoA the enzyme

  6. Photo-Fries rearrangements of 1-naphthyl (R-2-phenylpropanoate in poly(vinyl acetate and ethyl acetate: influence of medium polarity and polymer relaxation on motions of singlet radical pairs

    Directory of Open Access Journals (Sweden)

    Xu Jinqi

    2006-01-01

    Full Text Available Both the regio- and stereo-chemistries of the photoreactions of 1-naphthyl (R-2-phenylpropanoate have been investigated in poly(vinyl acetate films in their glassy (at 5masculineC and melted (at 50masculineC states and in ethyl acetate. These results are compared with those from irradiations in polyethylene films and in n-hexane. The regioselectivity of the intermediate 1-naphthoxy/(R-2-phenylpropanoyl radical pair combinations is much higher in both the melt and glassy states of poly(vinyl acetate films than that in the melt state of completely amorphous polyethylene films, but the stereoselectivity of intermediate prochiral 1-naphthoxy/1-phenylethyl radical pair combinations is much lower in poly(vinyl acetate. The results emphasize the need to control the ratio between the rates of radical tumbling and translation, as well as the ratio between the rates of in-cage motions and cage-escape, if high stereo- and regio-selectivities of combination products are to be achieved. A mechanistic picture of how the radicals of the intermediate pairs are affected by and interact with the various media is advanced.

  7. C60/N,N'-bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine:MoO3 as the interconnection layer for high efficient tandem blue fluorescent organic light-emitting diodes.

    Science.gov (United States)

    Wu, Xiaoming; Bi, Wentao; Hua, Yulin; Sun, Jin'e; Xiao, Zhihui; Wang, Li; Yin, Shougen

    2013-06-17

    The high efficient tandem blue fluorescent organic light emitting diodes (OLEDs) with the transparent interconnection layer (ICL) of fullerence (C60)/Molybdenum oxide (MoO3)-doped N,N'-bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPB) were presented. A stack consisting of 0.5 nm of LiF and 1 nm of Ca, which is located from C60 to adjacent electron transporting layer is used as an electron injection layer. The experiment results indicate that the luminance of the tandem device is basically equal to that of the traditional single-unit device, but the current density of the tandem device is much less than that of the single-unit device under a same luminance. The current efficiency and the maximal power efficiency of tandem device with LiF/Ca/C60/NPB:MoO3/MoO3-based interconnection layer have been approximately enhanced by 250% and 126%, respectively. In addition, we also analyze that the mechanism of the efficiency enhancement is ascribed to the effective charge separation and transport of the ICL in tandem OLEDs.

  8. 闭管消解-萘乙二胺分光光度法测定水中总氮%Determination of Total Nitrogen in Water by Closed Digestion N - (1 -Naphthyl)ethyle Chromogenic Reaction

    Institute of Scientific and Technical Information of China (English)

    赵洋甬; 赵建平; 黄绍荣; 肖国起

    2012-01-01

    This paper established a new method of determining total nitrogen in water through closed digestion N - ( 1 - Naphthyl) ethyle chromogenic reaction, and analyzed the effect of different conditions to resaults at the same time based on experiment . The results show that water samples should be digested at least 25 minutes, and then chromogenically reacted for 5 ~ 20 minutes between 10~25℃ and finally determined at 535nm. This new method is more sensitive compared with the standard method,and it can be uesd to analysis the total nitrogen in water or wastewater.%通过实验研究了一种采用闭管消解-萘乙二胺分光光度法测定水样中总氮的新方法,分析了不同测试条件对测定结果的影响.结果表明:方法最佳消解时间为25min,宜选用535nm为实验波长,在10~25℃下显色5~ 20min完成测定.与标准方法比较,该方法具有灵敏度高、测定时间短的优点,可用于环境监测中水和废水的总氮分析.

  9. KINETICS OF NEUTRAL HYDROLYSIS OF 1-BENZOYL-3-PHENYL-1,2,4-TRIAZOLE IN HIGHLY AQUEOUS-MEDIA - ANALYSIS OF EFFECTS OF ADDED ETHANOL AND PROPAN-1-OL IN TERMS OF PAIRWISE GROUP-INTERACTION PARAMETERS

    NARCIS (Netherlands)

    BENAK, H; ENGBERTS, JBFN; BLANDAMER, MJ

    1992-01-01

    Over the range 288.15 less-than-or-equal-to T/K less-than-or-equal-to 333.15, the first-order rate constant for the neutral hydrolysis of 1-benzoyl-3-phenyl-1,2,4-triazole in aqueous solutions (pH ca. 4) decreases when either ethanol or propan-1-ol is added. The kinetic data are analysed in terms of

  10. Characterization and heterologous expression of hydroxycinnamoyl/benzoyl-CoA:anthranilate N-hydroxycinnamoyl/benzoyltransferase from elicited cell cultures of carnation, Dianthus caryophyllus L.

    Science.gov (United States)

    Yang, Q; Reinhard, K; Schiltz, E; Matern, U

    1997-12-01

    Benzoyl-CoA:anthranilate N-benzoyltransferase catalyzes the first committed reaction of phytoalexin biosynthesis in carnation (Dianthus caryophyllus L.), and the product N-benzoylanthranilate is the precursor of several sets of dianthramides. The transferase activity is constitutively expressed in suspension-cultured carnation cells and can be rapidly induced by the addition of yeast extract. The enzyme was purified to homogeneity from yeast-induced carnation cells and shown to consist of a single polypeptide chain of 53 kDa. Roughly 20% of the sequence was identified by micro-sequencing of tryptic peptides, and some of these sequences differed in a few amino acid residues only suggesting the presence of isoenzymes. A specific 0.8 kb cDNA probe was generated by RT-PCR, employing degenerated oligonucleotide primers complementary to two of the tryptic peptides and using poly(A)+ RNA from elicited carnation cells. Five distinct benzoyltransferase clones were isolated from a cDNA library, and three cDNAs, pchcbt1-3, were sequenced and shown to encode full-size N-benzoyltransferases. The translated peptide sequences revealed more than 95% identity among these three clones. The additional two clones harbored insert sequences mostly homologous with pchcbt 1 but differing in the 3'-flanking regions due to variable usage of poly(A) addition sites. The identity of the clones was confirmed by matching the translated polypeptides with the tryptic enzyme sequences as well as by the activity of the benzoyltransferase expressed in Escherichia coli. Therefore, carnation encodes a small family of anthranilate N-benzoyltransferase genes. In vitro, the benzoyltransferases exhibited narrow substrate specificity for anthranilate but accepted a variety of aromatic acyl-CoAs. Catalytic rates with cinnamoyl- or 4-coumaroyl-CoA exceeded those observed with benzoyl-CoA, although the corresponding dianthramides did not accumulate in vivo. Thus the cDNAs described represent also the first

  11. Spectral characterization, molecular modeling and antimicrobial studies on hydrazone metal complexes of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)dione and S-methyl dithiocarbazate.

    Science.gov (United States)

    Taha, Ali; Emara, Adel A A; Mashaly, Mahmoud M; Adly, Omima M I

    2014-09-15

    Metal complexes of copper(II), nickel(II), cobalt(II), oxovanadium(IV), chromium(III) and cadmium(II) with a new bridged ONS dibasic tridentate hydrazone (H2L) derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with S-methyl dithiocarbazate have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (infrared, electronic, mass, 1H NMR and ESR) studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have dimeric structures with the general formula [ML(NO3)m(H2O)x]2·nH2O·zMeOH, L=dianion of the hydrazone, m=0-1, x=0-2, n=0-4 and z=0-1. The metal complexes exhibited square planar, tetrahedral and octahedral geometrical arrangements, the molar conductivity data indicates that all complexes are neutral. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiempirical PM3 level and the results were correlated with their experimental data. Antibacterial activities of the free ligand and its metal complexes were screened against various organisms.

  12. Interaction Study of 2,6-Bis[4-(4-amino-2-trifluoromethyl phenoxy)benzoyl] Pyridine with Human Immunoglobulin by Optical Spectroscopy and Molecular Modeling

    Institute of Scientific and Technical Information of China (English)

    HE Wenying; ZHANG Qiongmei; GAO Wenhua; DONG Yuming; YAO Xiaojun

    2009-01-01

    The interaction between human immunoglobulin (HIgG) and BAFP (2,6-bis[4-(4-amino-2-trifluoromethyl phenoxy)benzoyl] pyridine was studied by fluorescence quenching, Fourier transform infrared (FT-IR) spectra and molecule modeling. The synchronous fluorescence spectra indicated the information on qualitative changes of the pro-tein secondary structure in the presence of BAFP in aqueous solution. The quantitative alterations of the protein sec-ondary structure were estimated by the evidences from FT-IR spectra with increases of α helices by about 2.6%-10.2%, increases of β-sheet structure by about 13.6%-27.7%, and reductions of β-turn structure by about 23.8%-30.3%. Molecular docking suggests that BAFP can strongly bind to HIgG. There are four hydrogen bond interac-tions between the drug and the residues Trp 170, Val 105, Met 139 and Asn 52. It was also considered that BAFP bound to HIgG mainly by a hydrophobic interaction, which is in good agreement with the results from the experi-mental thermodynamic parameters (the enthalpy change △Hθ and the entropy change △Sθ were calculated to be-6.70 kJ·mol-1 and 71.93 J·mol-1·K-1,respectively, according to the Van't Holf equation).

  13. Sensitive quantitation of polyamines in plant foods by ultrasound-assisted benzoylation and dispersive liquid-liquid microextraction with the aid of experimental designs.

    Science.gov (United States)

    Pinto, Edgar; Melo, Armindo; Ferreira, Isabel M P L V O

    2014-05-14

    A new method involving ultrasound-assisted benzoylation and dispersive liquid-liquid microextraction was optimized with the aid of chemometrics for the extraction, cleanup, and determination of polyamines in plant foods. Putrescine, cadaverine, spermidine, and spermine were derivatized with 3,5-dinitrobenzoyl chloride and extracted by dispersive liquid-liquid microextraction using acetonitrile and carbon tetrachloride as dispersive and extraction solvents, respectively. Two-level full factorial design and central composite design were applied to select the most appropriate derivatization and extraction conditions. The developed method was linear in the 0.5-10.0 mg/L range, with a R(2) ≥ 0.9989. Intra- and interday precisions ranged from 0.8 to 6.9% and from 3.0 to 10.3%, respectively, and the limit of detection ranged between 0.018 and 0.042 μg/g of fresh weight. This method was applied to the analyses of six different types of plant foods, presenting recoveries between 81.7 and 114.2%. The method is inexpensive, versatile, simple, and sensitive. PMID:24773181

  14. Synergistic solvent extraction of trivalent lanthanides and actinide by mixtures of 1-phenyl-3-methyl-4-benzoyl-pyrazalone-5 and neutral oxo-donors

    International Nuclear Information System (INIS)

    The synergistic solvent extraction of trivalent lanthanides such as La, Eu and Lu and a trivalent actinide, Am, has been studied with mixtures of 1-phenyl-3-methyl-4-benzoyl-pyrazalone-5 (HPMBP) and bis(2-ethylhexyl) sulphoxide (B2EHSO) or octyl (phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) in xylene. The extraction data have been analysed by both graphical and theoretical methods by taking into account aqueous phase speciation and all plausible complexes extracted into the organic phase. With HPMBP alone all the trivalent metal ions form M(PMBP)3 - HPMBP type self adducts. With B2EHSO as a neutral donor, the synergistic adduct species are M(PMBP)3 - B2EHSO and M(PMBP)3 - 2 B2EHSO (where M = La, Eu, Lu and Am), whereas with CMPO as a neutral donor the only complex extracted into the organic phase is M(PMBP)3 - CMPO. The synergistic extraction constants of the above species which were deduced by non-linear regression analysis are found to increase monotonically with decreasing ionic radii of these metal ions. 27 refs., 5 figs., 4 tabs

  15. Enhanced solubility and antibacterial activity of lipophilic fluoro-substituted N-benzoyl-2-aminobenzothiazoles by complexation with β-cyclodextrins.

    Science.gov (United States)

    Trapani, A; De Laurentis, N; Armenise, D; Carrieri, A; Defrenza, I; Rosato, A; Mandracchia, D; Tripodo, G; Salomone, A; Capriati, V; Franchini, C; Corbo, F

    2016-01-30

    Some lipophilic fluoro-substituted N-benzoyl-2-aminobenzothiazole antibacterial agents have been evaluated for their activity in the presence of cyclodextrins (CDs) containing aqueous solutions where CDs are adopted as solubilizing excipients for improving the poor water solubility of these compounds. For such purpose both the natural β-CD and one of FDA/EMA approved CDs for parenteral use (i.e. HP-β-CD) have been employed. The solubility rank order observed was accounted for by thermal analysis (Differential Scanning Calorimetry) and FT-IR spectroscopy. The most promising compound was subjected to further NMR spectroscopic studies and molecular modelling simulations to verify the interactions between the guest molecule and the CD cavity. The assessment of the antibacterial activity of such compounds against selected Gram positive and Gram negative bacterial strains clearly showed that their antimicrobial effectiveness may, quite in all instances, be positively affected by complexation with β-CD and HP-β-CD. These results, which are in some ways in contrast with those already reported in the literature, are herein discussed on the basis of plausible mechanisms. Moreover, this investigation also reveals that the described methodology of complexing both lipophilic and hydrophilic antimicrobial agents with CDs may be an useful approach to enhance their effectiveness as well as a promising strategy to overcome even the microbial resistance problem. PMID:26611670

  16. Densities, Ultrasonic Speeds, Viscosities and Refractive Indices of Binary Mixtures of Benzene with Benzyl Alcohol,Benzonitrile, Benzoyl Chloride and Chlorobenzene at 303.15 K

    Institute of Scientific and Technical Information of China (English)

    ALI,A.; PANDEY,J.D.; SONI,N.K.; NAIN,A.K.; LAL,B.; CHAND,D.

    2005-01-01

    Densities, p, ultrasonic speeds, u, viscosities, η, and refractive indices, n, of pure benzene, benzyl alcohol (BA),benzonitrile (BN), benzoyl chloride (BC), chlorobenzene (CB) and their thirty six binary mixtures, with benzene as common component, were measured at 303.15 K over the entire mole fraction range. From these experimental data the values of deviations in ultrasonic speed, Au, isentropic compressibility, Δks, excess acoustic impedance, ZE, deviation in viscosity, Δη, and excess Gibbs free energy of activation of viscous flow, G*E, and partial molar isentropic compressibility, Kφ,2 of BA, BN, BC and CB in benzene were computed. The variation of these derived functions with composition of the mixtures suggested the increased cohesion (molecular order) in the solution and that interaction (A-B)>(A-A) or (B-B). Moreover, theoretical prediction of ultrasonic speed, viscosity and refractive index of all the four binary mixtures was made on the basis of empirical and semi-empirical relations by using the experimental values of the pure components. Comparison of theoretical results with the experimental values was made in order to assess the suitability of these relations in reproducing the experimental values of u, η and n. Also, molecular radii of pure liquids and the average molecular radii of binary mixtures were evaluated using the corresponding refractive indices of pure liquids and binary mixtures. The average molecular radii of binary mixtures were found to be additive with respect to mole fraction of the pure component.

  17. Recent advances in the use of adapalene 0.1%/benzoyl peroxide 2.5% to treat patients with moderate to severe acne.

    Science.gov (United States)

    Leyden, James

    2016-01-01

    The central role of inflammation in acne is now more clearly understood. Adapalene, a third-generation topical retinoid, down-regulates toll-like receptor 2 expression and inhibits activator protein-1 activity. In a fixed-dose combination, adapalene and benzoyl peroxide (BPO) act synergistically on inflammatory patterns through regulation of innate immunity. In addition to reducing inflammatory and non-inflammatory lesions, adapalene/BPO helps prevent lesion and microcomedone formation. The combination of a topical retinoid and antimicrobial agent remains the preferred approach for almost all patients with acne. In cases of more severe disease, there is a clinical benefit in combining adapalene/BPO with an oral antibiotic for 12 weeks. Most recently, adapalene/BPO plus doxycycline 200 mg was found to be highly effective when compared with isotretinoin in the treatment of patients with severe acne with nodules. Long-term maintenance therapy is needed for most patients. Retinoids are the preferred agents, with BPO added in patients with more severe disease if needed. Adapalene is anticomedogenic, reduces comedones and has anti-inflammatory properties, while BPO is a unique antimicrobial agent not shown to induce microbial resistance after more than 50 years of use. Maintenance therapy for 6 months with adapalene/BPO prevents relapse among patients with severe acne and continues to reduce disease symptoms.

  18. Benzoyl peroxide formulated polycarbophil/carbopol 934P hydrogel with selective antimicrobial activity, potentially beneficial for treatment and prevention of bacterial vaginosis.

    Science.gov (United States)

    Xu, Shiqi; Cavera, Veronica L; Rogers, Michael A; Huang, Qingrong; Zubovskiy, Konstantin; Chikindas, Michael L

    2013-01-01

    The human vagina is colonized by a variety of indigenous microflora; in healthy individuals the predominant bacterial genus is Lactobacillus while those with bacterial vaginosis (BV) carry a variety of anaerobic representatives of the phylum Actinobacteria. In this study, we evaluated the antimicrobial activity of benzoyl peroxide (BPO) encapsulated in a hydrogel against Gardnerella vaginalis, one of the causative agents of BV, as well as indicating its safety for healthy human lactobacilli. Herein, it is shown that in well diffusion assays G. vaginalis is inhibited at 0.01% hydrogel-encapsulated BPO and that the tested Lactobacillus spp. can tolerate concentrations of BPO up to 2.5%. In direct contact assays (cells grown in a liquid culture containing hydrogel with 1% BPO or BPO particles), we demonstrated that hydrogels loaded with 1% BPO caused 6-log reduction of G. vaginalis. Conversely, three of the tested Lactobacillus spp. were not inhibited while L. acidophilus growth was slightly delayed. The rheological properties of the hydrogel formulation were probed using oscillation frequency sweep, oscillation shear stress sweep, and shear rate sweep. This shows the gel to be suitable for vaginal application and that the encapsulation of BPO did not alter rheological properties.

  19. Synthesis, Characterization and Antimicrobial Activity of Potassium Hydro(benzoyl)(phthalyl)borate and Its Cobalt(Ⅱ), Nickel(Ⅱ), and Copper(Ⅱ) Complexes

    Institute of Scientific and Technical Information of China (English)

    SHARMA, Guruaribam, Shashikumar; SHEIKH, Rayees, Ahmad; SHREAZ, Sheikh; HASHMI, Athar, Adil; KHAN, Luqrnan, Ahmad

    2009-01-01

    A new organoborate ligand, hydro(benzoyl)(phthalyl)borate has been synthesized as its potassium salt (KL) and M=Cu(Ⅱ)]. All compounds were characterized by elemental analysis, DTIR, 1H NMR, ESI MS, UV-Vis techniques, conductivity and magnetic data measurements. Spectroscopic results suggest a square planar geometry in the Cu(Ⅱ) complex, while the Co(Ⅱ) and Ni(Ⅱ) complexes possess an octahedral geometry. Antibacterial activities (in vitro) of the ligand and its metal complexes were studied against two Gram positive (B. subtillis and B. magterium) and two Gram negative bacteria (E. Coli and S. boydi) at a single concentration (75 μg/mL) by using the Disc diffusion method. Antifungal activities (in vitro) were also checked for the compounds by using the same method against Candida albicans 10261, Penicillium sp. and Asperjillius niger., at a single concentration (50 μg/mL). The results showed that all the metal complexes, specially the nickel(Ⅱ) complex, have higher antibacterial and antifungal ac- tivities than the corresponding potassium salt.

  20. The photoprotective effects of 2-benzoyl-3-phenylquinoxaline 1,4-dioxide against UVB-induced damage in HaCaT cells.

    Science.gov (United States)

    Mouawad, Joe; Saadeh, Fadi; Tabosh, Hayat Al; Haddadin, Makhluf J; Gali-Muhtasib, Hala

    2016-08-01

    With the increasing levels of atmospheric ozone depletion, there has been much concern about the causal effects of high levels of ultraviolet radiation reaching the Earth's surface on skin cancer. This has led to growing interest in identifying new active ingredients for use in commercial sunscreens. In our study, the chemical compound 2-benzoyl-3-phenylquinoxaline 1,4-dioxide (BPQ) prepared by the Beirut reaction was tested for its ability to protect a human keratinocyte cell line (HaCaT) against ultraviolet B radiation (280-315 nm). We show that BPQ exhibited strong absorbance in the UVB range, with an overall absorption spectrum very similar to that of Padimate-O, a well-known active ingredient used in commercial sunscreens. HaCaT cells, which were irradiated with UVB in the presence of multiple doses of BPQ, exhibited, in a dose-dependent fashion, a significantly higher viability and lower oxidative stress levels than cells irradiated in the absence of drug. Our results show that BPQ is a potential photoprotective drug that holds great promise for use as an active ingredient in commercial sunscreens. PMID:27377483

  1. Determination of rhenium content in molybdenite by ICP-MS after separation of the major matrix by solvent extraction with N-benzoyl-N-phenylhydroxalamine.

    Science.gov (United States)

    Li, Jie; Zhong, Li-feng; Tu, Xiang-lin; Liang, Xi-rong; Xu, Ji-feng

    2010-05-15

    A simple and rapid analytical method for determining the concentration of rhenium in molybdenite for Re-Os dating was developed. The method used isotope dilution-inductively coupled plasma-mass spectrometry (ID-ICP-MS) after the removal of major matrix elements (e.g., Mo, Fe, and W) from Re by solvent extraction with N-benzoyl-N-phenylhydroxylamine (BPHA) in chloroform solution. The effect on extraction efficiency of parameters such as pH (HCl concentration), BPHA concentration, and extraction time were also assessed. Under the optimal experimental conditions, the validity of the separation method was accessed by measuring (187)Re/(185)Re values for a molybdenite reference material (JDC). The obtained values were in good agreement with previously measured values of the Re standard. The proposed method was applied to replicate Re-Os dating of JDC and seven samples of molybdenite from the Yuanzhuding large Cu-Mo porphyry deposit. The results demonstrate good precision and accuracy for the proposed method. The advantages of the method (i.e., simplicity, efficiency, short analysis time, and low cost) make it suitable for routine analysis. PMID:20298878

  2. Synthesis and Crystal Structure of a Manganese(Ⅱ) Complex with 2-(4'-Chlorine-benzoyl)-benzoic Acid and 1,10-Phenanthroline

    Institute of Scientific and Technical Information of China (English)

    WANG Qing-Wei; LI Xiu-Mei; MENG Qing-Long; LIU Bo; GAO Guang-Gang

    2009-01-01

    A new metal-organic complex Mn2(cbba)4(phen)2 (Hcbba = 2-(4'-chlorine-benzoyl)-benzoic acid, phen = 1,10-phenanthroline) 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The compound crystallizes in orthorhombic, space group Pbcn with a = 12.154(5), b = 18.166(7), c =31.197(13) (A°), V = 6887(5) (A°)3, C80H48C14Mn2N4O12, Mr= 1508.90, Dc = 1.455 g/cm3, μ(MoKa) =0.591 mm-1, F(000) = 3080, Z = 4, the final R = 0.0408 and wR = 0.0873 for 4033 observed reflections (I > 2σ(I)). In the crystal structure, the manganese atom is six-coordinated with four carboxylate oxygen atoms from three different cbba ligands and two nitrogen atoms from phen ligands, showing a distorted octahedral geometry. Furthermore, it exhibits a 3D supramolecular network through π-π interactions.

  3. Investigation of the formation of benzoyl peroxide, benzoic anhydride, and other potential aerosol products from gas-phase reactions of benzoylperoxy radicals

    Science.gov (United States)

    Strollo, Christen M.; Ziemann, Paul J.

    2016-04-01

    The secondary organic aerosol (SOA) products of the reaction of benzaldehyde with Cl atoms and with OH radicals in air in the absence of NOx were investigated in an environmental chamber in order to better understand the possible role of organic peroxy radical self-reactions in SOA formation. SOA products and authentic standards were analyzed using mass spectrometry and liquid chromatography, and results show that the yields of benzoyl peroxide (C6H5C(O)OO(O)CC6H5) and benzoic anhydride (C6H5C(O)O(O)CC6H5), two potential products from the gas-phase self-reaction of benzoylperoxy radicals (C6H5C(O)OO·), were less than 0.1%. This is in contrast to results of recent studies that have shown that the gas-phase self-reactions of β-nitrooxyperoxy radicals formed from reactions of isoprene with NO3 radicals form dialkyl peroxides that contribute significantly to gas-phase and SOA products. Such reactions have also been proposed to explain the gas-phase formation of extremely low volatility dimers from autooxidation of terpenes. The results obtained here indicate that, at least for benzoylperoxy radicals, the self-reactions form only benzoyloxy radicals. Analyses of SOA composition and volatility were inconclusive, but it appears that the SOA may consist primarily of oligomers formed through heterogeneous/multiphase reactions possibly involving some combination of phenol, benzaldehyde, benzoic acid, and peroxybenzoic acid.

  4. Vanadium complexes having [VO]2+, [VO]3+ and [VO2]+ cores with hydrazones of 2,6-diformyl-4-methylphenol: synthesis, characterization, reactivity, and catalytic potential.

    Science.gov (United States)

    Maurya, Mannar R; Haldar, Chanchal; Kumar, Amit; Kuznetsov, Maxim L; Avecilla, Fernando; Costa Pessoa, João

    2013-09-01

    The Schiff bases H3dfmp(L)2 obtained by the condensation of 2,6-diformyl-4-methylphenol and hydrazones [L = isonicotinoylhydrazide (inh), nicotinoylhydrazide (nah) and benzoylhydrazide (bhz)] are prepared and characterized. By reaction of [V(IV)O(acac)2] and the H3dfmp(L)2 in methanol the V(IV)O-complexes [V(IV)O{Hdfmp(inh)2}(H2O)] (1), [V(IV)O{Hdfmp(nah)2}(H2O)] (2) and [V(IV)O{Hdfmp(bhz)2}(H2O)] (3) were obtained. Upon their aerial oxidation in methanol [V(V)O(OMe)(MeOH){Hdfmp(inh)2}] (4), [V(V)O(OMe)(MeOH){Hdfmp(nah)2}] (5) and [V(V)O(OMe)(MeOH){Hdfmp(bhz)2}] (6) were isolated. In the presence of KOH, oxidation of 1-3 results in the formation of [V(V)O2{H2dfmp(inh)2}]n·5H2O (7), K[V(V)O2{Hdfmp(nah)2}] (8) and K[V(V)O2{Hdfmp(bhz)2}] (9). All compounds are characterized in the solid state and in solution, namely by spectroscopic techniques (IR, UV-Vis, EPR, (1)H, (13)C and (51)V NMR), and DFT is also used to calculate the V(IV) hyperfine coupling constants of V(IV)-compounds and (51)V NMR chemical shifts of several V(V)-species and assign them to those formed in solution. Single crystal X-ray analysis of [V(V)O(OMe)(MeOH){Hdfmp(bhz)2}] (6) and [V(V)O2{H2dfmp(inh)2}]n·5H2O (7) confirm the coordination of the ligand in the dianionic (ONO(2-)) enolate tautomeric form, one of the hydrazide moieties remaining non-coordinated. In the case of 7 the free N(pyridine) atom of the inh moiety coordinates to the other vanadium center yielding a polynuclear complex in the solid state. It is also demonstrated that the V(V)O2-complexes are catalyst precursors in the oxidative bromination of styrene by H2O2, therefore acting as functional models of vanadium dependent haloperoxidases. Plausible intermediates involved in the catalytic process are established by UV-Vis, (51)V NMR and DFT studies. PMID:23680862

  5. Synthesis and photoluminescence properties of silver(I) complexes based on N-benzoyl-L-glutamic acid and N-donor ligands with different flexibility

    Science.gov (United States)

    Yan, Ming-Jie; Feng, Qi; Song, Hui-Hua

    2016-05-01

    By changing the N-donor ancillary ligand, three novel silver (I) complexes {[Ag(HbzgluO) (4,4‧-bipy)]·H2O}n (1), {[Ag2(HbzgluO)2 (bpe)2]·2H2O}n (2) and {[Ag(HbzgluO)(bpp)]·2H2O}n (3) (H2bzgluO = N-benzoyl-L-glutamic acid, 4,4‧-bipy = 4,4ˊ-bipyridine, bpe = 1,2-di(4-pyridyl)ethane, bpp = 1,3-di(4-pyridyl)propane) were synthesized. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, powder X-ray diffraction (PXRD), and thermogravimetric analyses (TGA). In this study, the N-donor ligands are changed from rigidity (4,4‧-bipy), quasi-flexibility (bpe) to flexibility (bpp), the structures of complexes also change. Complex 1 features a 1D chain structure which is further linked together to construct a 2D supramolecular structure through hydrogen bonds. Complex 2 is a 1D double-chains configuration which eventually forms a 3D supramolecular network via hydrogen bonding interactions. Whereas, complex 3 exhibits a 2D pleated grid structure which is linked by hydrogen bonding interactions into a 3D supramolecular network. The present observations demonstrate that the modulation of coordination polymers with different structures can accomplish by changing the spacer length of N-donor ligands. In addition, the solid-state circular dichroism (CD) spectra indicated that compound 2 exhibited negative cotton effect which originated from the chiral ligands H2bzgluO and the solid-state fluorescence spectra of the three complexes demonstrated the auxiliary ligands have influence on the photoluminescence properties of the complexes.

  6. Metal complexes of the nanosized ligand N-benzoyl-N‧-(p-amino phenyl) thiourea: Synthesis, characterization, antimicrobial activity and the metal uptake capacity of its ligating resin

    Science.gov (United States)

    Elhusseiny, Amel F.; Eldissouky, Ali; Al-Hamza, Ahmed M.; Hassan, Hammed H. A. M.

    2015-11-01

    The new nanosized N-benzoyl-N‧-(p-amino phenyl) thiourea ligand H2L was synthesized by nanoprecipitation method. The [Cu (H2L)2 Cl]·2H2O, [Zn (H2L)2(OAc)2], [Cd (H2L)2Cl2] and [Hg (H2L)2Cl2] complexes were synthesized and characterized by various physicochemical methods. Results revealed that the ligand act as hypodentate and bonded to the metal ion via the sulfur atom forming mononuclear non-electrolyte diamagnetic complex. Magnetic moment results indicated a reduction of Cu (II) to Cu (I) during the coordination process. Thermal studies demonstrated variable stabilities of the complexes and [Zn (H2L)2(OAc)2] exhibited the highest thermal stability while [Hg (H2L)2Cl2] was volatile. The prepared compounds were screened against different pathogenic microorganisms. The ligand performed high antibacterial activity against certain bacterial strain compared to its complexes, and the standard bacteriocide in use. The ligand was successfully immobilized on modified Amberlite XAD-16 forming the hypodentate ligating resin PS-SO2-H2L. The new resin was characterized and the extent of metal adsorption reached maximum at pH 6.0 for Cu (II), Cd (II) and Ag (I), with an adsorption amount of 4.3, 4.0 and 3.7 mmol g-1 respectively. The nanosized H2L represents a new category of promising adsorbent that would have a practical impact on biological and water treatment applications.

  7. Radiosensitization by 2-benzoyl-3-phenyl-6,7-dichloroquinoxaline 1,4-dioxide under oxia and hypoxia in human colon cancer cells

    International Nuclear Information System (INIS)

    The sensitizing effects of 2-benzoyl-3-phenyl-6,7-dichloroquinoxaline 1,4-dioxide (DCQ) and ionizing radiation (IR) were determined in four colon cancer cells and in FHs74Int normal intestinal cells. Cell cycle modulation, TUNEL assay, clonogenic survival and DNA damage were examined under oxia or hypoxia. Effects on apoptotic molecules and on p-Akt and Cox-2 protein expression were investigated. The four cell lines responded differently to DCQ+IR; HT-29 cells were most resistant. Combination treatment caused significant increases in preG1 (apoptosis) in HCT-116, while G2/M arrest occurred in DLD-1. DCQ potentiated IR effects more so under hypoxia than oxia. Pre-exposure of DLD-1 to hypoxia induced 30% apoptosis, and G2/M arrest in oxia. The survival rate was 50% lower in DCQ+IR than DCQ alone and this rate further decreased under hypoxia. FHs74Int normal intestinal cells were more resistant to DCQ+IR than cancer cells.Greater ssDNA damage occurred in DLD-1 exposed to DCQ+IR under hypoxia than oxia. In oxia, p-Akt protein expression increased upon IR exposure and drug pre-treatment inhibited this increase. In contrast, in hypoxia, exposure to IR reduced p-Akt protein and DCQ restored its expression to the untreated control. Apoptosis induced in hypoxic DLD-1 cells was independent of p53-p21 modulation but was associated with an increase in Bax/Bcl-2 ratio and the inhibition of the Cox-2 protein. DCQ is a hypoxic cell radiosensitizer in DLD-1 human colon cancer cells

  8. Formation of a dinuclear copper(II) complex through the cleavage of CN bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    International Nuclear Information System (INIS)

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-(3-(pyridin-2-yl)-pyrazolato) and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the CbenzoylN bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the (3-(pyridin-2-yl)-pyrazolato)(3-(pyridin-2-yl)-1H-pyrazole)Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ε = 116 dm3 mol−1 cm−1) supports the presence of Cu(II) centres

  9. Multicenter study for efficacy and safety evaluation of a fixeddose combination gel with adapalen 0.1% and benzoyl peroxide 2.5% (Epiduo® for the treatment of acne vulgaris in Brazilian population*

    Science.gov (United States)

    Sittart, José Alexandre de Souza; da Costa, Adilson; Mulinari-Brenner, Fabiane; Follador, Ivonise; Azulay-Abulafia, Luna; de Castro, Lia Cândida Miranda

    2015-01-01

    BACKGROUND The current options for the treatment of acne vulgaris present many mechanisms of action. For several times, dermatologists try topical agents combinations, looking for better results. OBJECTIVES To evaluate the efficacy, tolerability and safety of a topical, fixed-dose combination of adapalene 0.1% and benzoyl peroxide 2.5% gel for the treatment of acne vulgaris in the Brazilian population. METHODS This is a multicenter, open-label and interventionist study. Patients applied 1.0 g of the fixed-dose combination of adapalene 0.1% and benzoyl peroxide 2.5% gel on the face, once daily at bedtime, during 12 weeks. Lesions were counted in all of the appointments, and the degree of acne severity, overall improvement, tolerability and safety were evaluated in each visit. RESULTS From 79 recruited patients, 73 concluded the study. There was significant, fast and progressive reduction of non-inflammatory, inflammatory and total number of lesions. At the end of the study, 75.3% of patients had a reduction of >50% in non-inflammatory lesions, 69.9% in inflammatory lesions and 78.1% in total number of lesions. Of the 73 patients, 71.2% had good to excellent response and 87.6% had satisfactory to good response. In the first week of treatment, erythema, burning, scaling and dryness of the skin were frequent complaints, but, from second week on, these signals and symptoms have reduced. CONCLUSION The fixed-dose combination of adapalene 0.1% and benzoyl peroxide 2.5% gel is effective, safe, well tolerated and apparently improves patient compliance with the treatment. PMID:27168522

  10. Comparison of clindamycin 1% and benzoyl peroxide 5% gel to a novel composition containing salicylic acid, capryloyl salicylic acid, HEPES, glycolic acid, citric acid, and dioic acid in the treatment of acne vulgaris.

    Science.gov (United States)

    Baumann, Leslie S; Oresajo, Christian; Yatskayer, Margarita; Dahl, Amanda; Figueras, Kristian

    2013-03-01

    This study evaluated the tolerance and efficacy of 2 facial skin products in subjects with acne using the following acne treatments: 1) treatment A, a combination of salicylic acid, capryloyl salicylic acid, HEPES, glycolic acid, citric acid, and dioic acid, and 2) treatment B (BenzaClin®, clindamycin 1% and benzoyl peroxide 5% gel). The treatment design included the split-face application of treatment A and treatment B and the full-face application of the cleanser, moisturizer, and sunscreen. Data were collected through physician visual assessments, subject irritation questionnaires and assessments, along with clinical photography. Results showed similar tolerance and efficacy for both treatments.

  11. Naphthyl azomesogens with lateral chloro groups†

    Indian Academy of Sciences (India)

    A K Prajapati; H M Pandya; N L Bonde

    2004-06-01

    A homologous series of azomesogens, 2"-[4-(4'--alkoxybenzoyloxy)-2-chlorophenylazo] naphthalenes, with lateral chloro groups was synthesised. All the homologues synthesized exhibit enantiotropic nematic mesophase. The mesomorphic properties of the present series are compared with other structurally related series to evaluate the effect of lateral chloro group and its position on mesomorphism.

  12. Synthesis of Some N-Alkoxycarbonyl-N″-benzoyl-benzamidrazones(p-toluamidrazones) and 1,3,5-Trisubstituted 1,2,4-Triazole Derivatives from N-Benzoylimidates and their Antimicrobial and Anticancer Screening Studies

    Institute of Scientific and Technical Information of China (English)

    BEKIRCAN Olcay; KAHVECI Bahittin; OZGUMUS Osman Birol

    2007-01-01

    Some new N-alkoxycarbonyl-N″-benzoyl-benzamidrazones (p-toluamidrazones) 3a-3d,and 1,3,5-trisubstituted 1,2,4-triazole 4a-4h derivatives by starting from N-benzoylbenzimidates or N-benzoyl-p-toluimidates.The structures of compounds 3 and 4 were established on the basis of elemental analyses,IR,1H NMR,13C NMR and UV data.Antimicrobial experiments of the compounds performed by using agar-well diffusion and broth microdilution methods revealed that only compounds 3a-3d,4a and 4b showed inhibitory effect only on Candida albicans ATCC 60193.However,compound 4b had also specific antibacterial activity against Staphylococcus aureus ATCC 25923.The other compounds showed neither antifungal nor antibacterial activities.Compounds 3a,4a and 4b have been screened on three human tumor cell lines,breast cancer (MCF7),non small cell lung cancer (NCI-H460),and CNS cancer (SF-268) at the National Cancer Institute (NCI),USA,which were found to exhibit low antiproliferative activity.

  13. Synthesis and Characterization of Dinuclear Vanadyl Hydrazone Complex [VO(C14H10N202) ]2(μ-O)%双核钒酰腙配合物[VO(C14H1oN202]2(μ-O)的合成与表征

    Institute of Scientific and Technical Information of China (English)

    高山; 刘世雄

    2001-01-01

    The dinuclear complex [VO (L)]2 (μ-O) (HL = salicylaldehyde benzoylhydrazone) was synthesized and characterized by elemental analysis, IR, UV, cyclic voltammetry. The results showed that two oxygen atoms and one nitrogen atom of the tridentate hydrazone ligand are coordinated to vanadium(Ⅴ) atom. The vanadium atom approximates to a distorted square pyramidal coordination sphere. The redox potentials of the title complex in different solvents follow the order:CH2Cl2<CH3CN<DMF.

  14. Efficacy of combined therapy of oral minocycline and benzoyl peroxide for acne%口服米诺环素联合过氧化苯甲酰治疗痤疮疗效观察

    Institute of Scientific and Technical Information of China (English)

    梁新亮; 张守民

    2011-01-01

    目的 探讨米诺环素联合外用过氧化苯甲酰治疗痤疮的疗效性,分析两者联合用药与单独口服米诺环素在治疗痤疮疗效方面的差异性,从而为痤疮临床治疗提供较好的方案.方法 将45名患者随机分为治疗组和对照组,治疗组接受米诺环素联合过氧化苯甲酰治疗,对照组接受米诺环素治疗,对治疗组和对照组不同疗程(用药后2、4、6、8周及1个月)治愈率的比较,作出评价.结果 治疗2周、4周后,米诺环素联合过氧化苯甲酰组总有效率明显高于单口服米诺环素组(P<0.05),6周、8周及1个月时两组无明显差异(P>0.05),说明米诺环素联合过氧化苯甲酰组起效快于单口服米诺环素组.结论 米诺环素联合过氧化苯甲酰较单独口服米诺环素起效快,明显缩短病程,较快减轻炎症反应,降低愈后遗留瘢痕的可能性.%Objective To explore the curative effect of combined therapy of oral minocycline and benzoyl peroxide for external use for acne, and to analyze the difference in the efficacy of acne treatment between the combined therapy and single oral minocycline treatment group, all these will provide us a better scheme for acne treatment. Methods Totally 45 patients were randomly divided into treatment and contrast groups. The treatment group accepted the therapy of minocycline combined with benzoyl peroxide, while the contrast group were treated with minocycline alone. Then an evaluation was made by comparing the curative ratio at different time point between the two groups. Results The total effective rate of the group treated with minocycline combined with benzoyl peroxide was significantly higher than that of single oral minocycline group at 2 weeks and 4 weeks after treatment, while the values at different time of 6 weeks,8 weeks and 1 month after treatment had no significant difference between two groups. It showed that treatment with oral minocycline and benzoyl peroxide for external use

  15. 离心沉淀气相色谱法测定面粉中过氧化苯甲酰含量的研究%Determination of Benzoyl Peroxide in Wheat Flour by Gas Chromatography after Precipitation by Centrifugation

    Institute of Scientific and Technical Information of China (English)

    应兴华; 徐霞; 朱智伟; 闵捷; 朱敏; 翟远建

    2009-01-01

    An analytical method of gas chromatography with flame ionization detection after precipitated by centrifugation was established for determination of benzoyl peroxide in wheat flour. The effects of different extraction time on the extraction efficiency and different calibration strategies for quantification were investigated, respectively. The benzoyl peroxide which was extracted from wheat flour with petroleum ether(60~90℃) was converted to benzoic acid in acidic condition, and then analyzed by gas chromatography with flame ionization detection. Recovery studies were performed at 0.06,0.18 and 0.30 g/kg fortification levels and the recoveries obtained ranging from 82.70% to 89.46% with relative standard deviations ranging from 3.77% to 6.93%. The method showed good linearity over the range assayed of 0.005~0.08 g/L and the detection limit was 2 mg/kg. The proposed method was suitable for determining benzoyl peroxide in wheat flour with high sensitivity, good accuracy and low-cost.%建立了离心沉淀,气相色谱氢火焰离子化检测器测定面粉中过氧化苯甲酰含量的方法.考察了不同提取时间和采用不同工作曲线对过氧化苯甲酰测定的影响.试样在石油醚中被冰乙酸还原成苯甲酸,经HP-5(30 m×0.25 mm×0.25 μm)毛细管气相色谱柱分离,氢火焰离子化检测器测定.方法的线性范围为0.005~0.08 g/L(r=0.9992),检出限(S/N=3)为2 mg/kg.在添标水平为0.06、0.18和0.30 g/kg时的平均回收率为82.70%~89.46%,相对标准偏差为3.77%~6.93%.该方法仪器设备简单,测定结果灵敏、准确,适合面粉中过氧化苯甲酰的测定.

  16. Drug efficiency of 18 % benzoyl propiconazole WG against rice sheath blight in field trials%18%苯甲·丙环唑WG防治水稻纹枯病的田间药效试验

    Institute of Scientific and Technical Information of China (English)

    陈建成; 张世平

    2012-01-01

    A field trial of drug efficiency using 18% benzoyl propiconazole WG against rice sheath blight was carried out. The results showed that the control efficiency of 18% benzoyl propiconazole WG with the dosages of 30 g, 40 g and 50 g per 667 m^2 was 78.68%, 80.08% and 84.36%, respectively, in the fifteenth day after the second medication. The dosages of 50 g and 40 g had good control efficiency (84.36% and 80.08%, respectively) and had no bad effect on the growth of crops, safety after treating. It also had no harmfull effect on the other organism, insects and non-target organism. In the pro- duction practice, it was suggested that to control rice sheath blight by using 18% benzoyl propiconazole WG with dosages of 40-50 g per 667 m^2, the pesticide was applied at peak of rice tillering stage.%进行18%苯甲·丙环唑WG防治水稻纹枯病的药效试验,结果表明:每667m。使用18%苯甲·丙环唑WG30、40、50g第2次药后15d对水稻纹枯病的防效分别为78.68%、80.08%和84.36%;每667m。使用18%苯甲·丙环唑WG50g及40g的防效较高,且对作物生长无不良的影响,药后较安全,对其他生物、其他病虫害及其他非靶标生物均无影响。生产上建议每667m。使用18%苯甲·丙环唑WG40—50g(制剂量)防治水稻纹枯病,于水稻分蘖盛期施药。

  17. Interaction of (4-hydroxyphenyl)pyruvate dioxygenase with the specific inhibitor 2-[2-nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione.

    Science.gov (United States)

    Kavana, Michael; Moran, Graham R

    2003-09-01

    (4-Hydroxyphenyl)pyruvate dioxygenase (HPPD) is a non-heme Fe(II) enzyme that catalyzes the conversion of (4-hydroxyphenyl)pyruvate (HPP) to homogentisate as part of the tyrosine catabolism pathway. Inhibition of HPPD by the triketone 2-[2-nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (NTBC) is used to treat type I tyrosinemia, a rare but fatal defect in tyrosine catabolism. Although triketones have been used for many years as HPPD inhibitors for both medical and herbicidal purposes, the mechanism of inhibition is not well understood. The following work provides mechanistic insight into NTBC binding. The tautomeric population of NTBC in aqueous solution is dominated by a single enol as determined by NMR spectroscopy. NTBC preferentially binds to the complex of HPPD and FeII [HPPD.Fe(II)] as evidenced by a visible absorbance feature centered at 450 nm. The binding of NTBC to HPPD.Fe(II) was observed using a rapid mixing method and was shown to occur in two phases and comprise three steps. A hyperbolic dependence of the first observable process with NTBC concentration indicates a pre-equilibrium binding step followed by a limiting rate (K(1) = 1.25 +/- 0.08 mM, k(2) = 8.2 +/- 0.2 s(-1)), while the second phase (k(3) = 0.76 +/- 0.02 s(-1)) had no dependence on NTBC concentration. Neither K(1),k(2), nor k(3) was influenced by pH in the range of 6.0-8.0. Isotope effects on both k(2) and k(3) were observed when D(2)O is used as the solvent (for k(2), k(h)/k(d) = 1.3; for k(3), k(h)/k(d) = 3.2). It is therefore proposed that the bidentate association of NTBC with the active site metal ion (k(2)) precedes the Lewis acid-assisted conversion of the bound enol to the enolate (k(3)). Although the native enzyme without substrate reacts with molecular oxygen to form the oxidized holoenzyme, the HPPD.Fe(II).NTBC complex does not. When the complex is exposed to atmospheric oxygen, the absorbance feature associated with NTBC binding does not diminish over the course of 2

  18. (3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ2O,Obis[2-(2-pyridylphenyl-κ2C1,N]iridium(III

    Directory of Open Access Journals (Sweden)

    Kaijun Luo

    2011-11-01

    Full Text Available The title compound, [Ir(C11H8N2(C17H19O2], has an octahedral coordination geometry around the IrIII atom, retaining the cis-C,C,trans–N,N chelate disposition of the two 2-phenylpyridine ligands. The chelate rings are nearly mutually perpendicular [the interplanar angles range from 85.48 (17 to 89.17 (19°]. The two 2-(2-pyridylphenyl ligands are approximately planar, with the plane of the phenyl ring being inclined to that of the pyridine ring by 2.3 (3 and 5.1 (3° in the two ligands. The interplanar angle between the phenyl ring in 3-benzoyl-camphor and the IrO2C3 chelate ring is 35.5 (2°.

  19. Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-olato-κ2O,O′(methanol-κOdioxidouranium(VI methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Ouarda Dehbi

    2012-04-01

    Full Text Available In the title compound, [U(C17H13N2O22O2(CH3OH]·CH3OH, the UVI ion is coordinated by seven O atoms in a distorted pentagonal–bipyramidal geometry with two 3-methyl-1-phenyl-4-benzoyl-4,5-dihydro-1H-pyrazol-5-olate groups with two O atoms in a bidentate chelating coordination mode and by three O atoms, one of which is from a methanol ligand. The crystal packing can be described by alternating layers of complex molecules along the a axis. The structure is stabilized by O—H...N and O—H...O hydrogen bonding and van der Waals interactions.

  20. Solvent extraction of lanthanide ions with 1-Phenyl-3-Methyl-4-Benzoyl-Pyrazolone-5 (HPMBP), 2. Extraction of Erbium(III), Ytterbium(III) and Lutetium(III) by HPMBP from aqueous-methanol solutions

    International Nuclear Information System (INIS)

    The solvent extraction of lanthanides(III)(Ln = Er, Yb, Lu) by 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HL) in carbon tetrachloride from aqueous-methanol phase was investigated. The equilibrium constants for the extraction from aqueous-50 % (ν/ν) methanol phase (Kex), two-phase stability constants of the complexes LnL3 (β3*) and stability constants of complexes LnL2+, LnL2+, LnL3(βn)(Ln = Yb, Lu) were calculated. It was confirmed that the addition of methanol to the aqueous phase causes a synergistic effect. The influence of methanol on the dissociation constant of HPMBP (Ka) and the distribution constant of HPMBP (pHL) between carbon tetrachloride and water-methanol solutions was investigated. (Authors)

  1. Solvent extraction of lanthanide ions with 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HPMBP), III: extraction of gadolinium(III), terbium(III), dysprosium(III), holmium(III), and thulium(III) by HPMBP from aqueous solutions

    International Nuclear Information System (INIS)

    The solvent extraction behaviour of Gd(III), Tb(III), Dy(III), Ho(III), and Tm(III) has been investigated using 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HPMBP or HL) in carbon tetrachloride as the extractant. Depending on the concentration of HPMBP in the organic phase the chelates LnL3[Ln(III)=Gd, Tb, Dy, Ho, Tm] and adducts LnL3.HL[Ln(III)=Gd, Tb, Dy, Ho] were extracted. The extraction equilibrium constants (Kex3 or Kex4) for the formation of LnL3 or LnL3.HL and the two-phase stability constants of the chelates or adducts (β3x, β4x) have been evaluated. (authors)

  2. Studies on complexes of Cu(II), Ni(II), Co(II) and Ln(III) with 3-(α-benzoyl) benzylidenehydrazino-5, 6-diphenyl-1,2,4-triazine

    International Nuclear Information System (INIS)

    The synthesis, acid-base equilibria and metal-ion chelating tendencies of 3-(α-benzoyl) benzylidenehydrazino-5,6-diphenyl-1,2,4-triazine (BHT) are reported. From potentiometric equilibrium measurements of hydrogen ion concentration at 30degC and ionic strength 0.10 M KNO3, in 75% (v/v) dioxane-water medium, the values of the stability constants of BHT with transition and lanthanide(III) ions have been evaluated. Probable structures of metal chelates are inferred from electronic absorption spectra and infrared examination of solid complexes. The use of BHT as analytical reagent for the spectrophotometric determination of copper, nickel and cobalt has also been discussed. (author). 4 tabs., 3 figs., 20 refs

  3. 超临界水中添加过氧化苯甲酰对聚丙烯降解的促进作用%An Investigation on Polypropylene Degradation in Supercritical Water Adding Benzoyl Peroxide

    Institute of Scientific and Technical Information of China (English)

    苏磊; 吴学华; 刘秀茹; 陈丽英; 陈克宇; 洪时明

    2005-01-01

    The effect of benzoyl peroxide (BPO) on polypropylene (PP) degradation in supercritical water was investigated with the aim of developing a process for recycling of waste plastics. A series of experiments with and without BPO were carried out at temperatures of 653K and 673K under pressure about 26 MPa for 30, 75 and 120 min respectively. Products were analyzed by an Ostward-type viscometer, gas chromatography and spectrometry (GC/MS) etc. The results indicated that mean molecular weight of the samples decreased greatly along with the time elapsing or with the temperature increasing, and PP was decomposed to aliphatic and cycloparaffinic hydrocarbons but a few benzenoid hydrocarbons. By comparing the experiments with and without BPO, it was made clear that BPO is an effective additive on PP degradation in supercritical water.

  4. Solid State Structure and Solution Thermodynamics of Three-Centered Hydrogen Bonds (O∙∙∙H∙∙∙O Using N-(2-Benzoyl-phenyl Oxalyl Derivatives as Model Compounds

    Directory of Open Access Journals (Sweden)

    Carlos Z. Gómez-Castro

    2014-09-01

    Full Text Available Intramolecular hydrogen bond (HB formation was analyzed in the model compounds N-(2-benzoylphenylacetamide, N-(2-benzoylphenyloxalamate and N1,N2-bis(2-benzoylphenyloxalamide. The formation of three-center hydrogen bonds in oxalyl derivatives was demonstrated in the solid state by the X-ray diffraction analysis of the geometric parameters associated with the molecular structures. The solvent effect on the chemical shift of H6 [δH6(DMSO-d6–δH6(CDCl3] and Δδ(ΝΗ/ΔT measurements, in DMSO-d6 as solvent, have been used to establish the energetics associated with intramolecular hydrogen bonding. Two center intramolecular HB is not allowed in N-(2-benzoylphenylacetamide either in the solid state or in DMSO-d6 solution because of the unfavorable steric effects of the o-benzoyl group. The estimated ΔHº and ΔSº values for the hydrogen bonding disruption by DMSO-d6 of 28.3(0.1 kJ·mol−1 and 69.1(0.4 J·mol−1·K−1 for oxalamide, are in agreement with intramolecular three-center hydrogen bonding in solution. In the solid, the benzoyl group contributes to develop 1-D and 2-D crystal networks, through C–H∙∙∙A (A = O, π and dipolar C=O∙∙∙A (A = CO, π interactions, in oxalyl derivatives. To the best of our knowledge, this is the first example where three-center hydrogen bond is claimed to overcome steric constraints.

  5. Simple,Selective,and Sensitive Spectrophotometric Method for Determination of Trace Amounts of Nickel(Ⅱ),Copper(Ⅱ), Cobalt(Ⅱ),and Iron(Ⅲ)with a Novel Reagent 2-Pyridine Carboxaldehyde Isonicotinyl Hydrazone

    Institute of Scientific and Technical Information of China (English)

    Sajid H.Guzar; JIN Qin-han

    2008-01-01

    A selective and sensitive reagent of 2-pyridine carboxaldehyde isonicotinyl hydrazone(2-PYAINH)was synthesized and studied for the spectrophotometric determination of nickel,copper,cobalt,and iron in detail.At a pH value of 7.0,9.0,9.0,and 8.0,respectively,which greatly increased the selectivity;nickel,copper,cobalt, and iron reacted with 2-PYAINH to form a 1:2 yellow-orange,1:2 yellow-green,1:2 yellow and 1:1 yellow complexes,with absorption peaks at 363,352,346,and 359 nm,respectively.Under the optimal conditions,Beer's law was obeyed over the ranges of 0.01-1.4,0.01-1.5,0.01-2.7,and 0.01-5.4 mg/L,respectively.The apparent molar absorptivity and Sandell's sensitivities were 8.4×104,5.2x104,7.1×104,and 3.9×104L·mol-1.cm-1,respectively,and 0.00069,0.0012,0.00078,and 0.0014 μ g·cm-2,respectively.The detection limits were found to be 0.001,O.002,0.003,and 0.01 mg/L,respectively.The detailed study of various interfering ions to make the method more sensitive was carried out and selective and several real samples were analyzed with satisfactory results.

  6. Comparative ligational, optical band gap and biological studies on Cr(III) and Fe(III) complexes of hydrazones derived from 2-hydrazinyl-2-oxo-N-phenylacetamide with both vanillin and O-vanillin

    Science.gov (United States)

    Yousef, T. A.; Abu El-Reash, G. M.; Attia, M. I.; El-Tabai, M. N.

    2015-09-01

    The Cr(III) and Fe(III) complexes of hydrazones derived from the condensation of 2-hydrazinyl-2-oxo-N-phenylacetamide with both vanillin and o-vanillin synthesized and characterized by different conventional physicochemical techniques. The kinetic and thermodynamic parameters for the different decomposition steps were calculated using Coats-Redfern and Horowitz-Metzger equations. The bond lengths, bond angles, HOMO, LUMO, dipole moment and binding energy calculated by DFT calculations. The optical band gap (Eg) values equal 3.28, 3.03, 3.58 and 3.57 eV for [Cr(HL1)Cl2(H2O)2](0.75H2O), [Cr(HL2)Cl2(H2O)](H2O), [Fe(HL1)Cl2(H2O)2](0.5H2O) and [Fe(HL2)2Cl(H2O)](3H2O) complexes, respectively. The antibacterial activities tested against Bacillus subtilis and Escherichia coli bacteria.

  7. 某些3-腙与22-腙胆甾烷芳杂环化合物的合成%Synthesis of 3-and 22-hydrazone cholestane aromatic heterocycle compounds

    Institute of Scientific and Technical Information of China (English)

    戚斌斌; 刘亮; 赵丹丹; 杨雷; 甘春芳; 黄燕敏; 崔建国

    2015-01-01

    The steroidal drugs were widely applied in the cure of various diseases because of their special bioactivity. Using cholest-4-en-3,6-dione and 22-seco-3β-hydroxycholest-5-en-22-al as starting materials,some steroidal aromatic heterocycle hydrazones were synthesized by the reaction with hydrazine hydrate and various aromatic aldehydes. The structures of all compounds were character-ized by IR,NMR and MS. The antiproliferative activity of compounds was evaluated against human gastric cancer(SGC-7901)and human liver cancer(Bel-7404)cells.%甾体类药物由于其特有的生理活性而被广泛应用于各种疾病的治疗。本文采用一锅法及分步合成法,通过胆甾-4-烯-3,6-二酮及22-降-3β-羟基胆甾-5-烯-22醛与水合肼反应,然后进一步与不同的芳香醛反应,合成了5个新的具有不同结构特征的甾体芳杂环腙化合物,合成物经IR、NMR及HRMS进行结构表征。同时对合成物进行了体外抑制肿瘤细胞生长增殖活性测试。

  8. 纯化9,10-二萘蒽对OLED器件光电性能的影响%Purity Effects on the Electroluminescent Performance of 9,10-Di(2-naphthyl)anthracene

    Institute of Scientific and Technical Information of China (English)

    李瑛; 王文根; 邵明; 王秀如; 汤昊; 孙润光

    2006-01-01

    合成了高稳定性蓝光主体材料9,10-二萘蒽(ADN),研究材料纯化对合成材料光电性能的影响.为进一步分析材料经升华提纯对有机电致发光器件性能的影响,以提纯前后ADN为发光层,以NPB 为空穴传输层,分别制作双层器件Ⅰ(提纯前)和器件Ⅱ(提纯后),器件结构为ITO(100 nm)/NPB(40 nm)/ADN(30 nm)/Alq3(20 nm)/LiF (1 nm) /Al (100 nm), 结果表明提纯后材料PL(Photoluminescence)光谱蓝移了2 nm,半峰全宽54.2 nm,与提纯前一致;杂质影响载流子注入效率和迁移率,对器件光电性能有显著影响,纯化前后器件最大电流效率由1.5 cd/A上升至2.5 cd/A;器件Ⅱ色纯度有较大提高,CIE色坐标由器件Ⅰ(0.15,0.10)移至(0.15, 0.06).实验结果表明材料提纯是优化器件性能的有效手段之一.%Organic light-emitting diode (OLED) has attracted considerable attention due to their unique image quality and market potentials in display application. For the full-color display applications, it is essential to deliver the primary RGB emitters with high luminous efficiency, saturated color chromaticity, among which 9, 10-Di (2-naphthyl) anthracene (ADN) is one of the stable and pure blue emitters. However, little attention has been paid to the influences of ADNs purification on the electroluminescent(EL) performance.Synthesis and purification of ADN were studied. The photoluminescence (PL) and electroluminescence (EL) spectra of ADN synthesized and purified are investigated, respectively. The PL spectrum of ADN purified exhibits an emitting peak at 434 nm with a full-width at half-maxium (FWHM) of 54.2 nm, while the rough material without purification is red shifted to 436 nm with the same FWHM of 54.2 nm. Organic light-emitting diodes (OLEDs) with a structure of indium tin oxide (ITO) (100 nm)/N,N′-biphenyl-N,N′-bis-(1-naphenyl)-[1,1′- biphenyl]-4,4′-diamine (NPB)(40 nm)/ADN(30 nm)/tris(8-quinolinolate)aluminum(Alq3)(20 nm)/LiF(1 nm)/Al(100

  9. Convenient one-pot synthesis of 2,5-anhydro-3,4,6-tri-O-benzoyl-D-(1-/sup 14/C)allononitrile, and its conversion to methyl 2-. beta. -D-ribofuranosyl-4-(2-/sup 14/C)selenazolecarboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Woo, P.W.K.

    1988-10-01

    Reaction of 1-0-acetyl-2,3,5-tri-O-benzoyl-..beta..-D-ribofuranose with (/sup 14/C)cyanotrimethylsilane, generated in situ by reaction of potassium (/sup 14/C)cyanide and chloro-trimethylsilane in the presence of sodium iodide and 2,6-lutidine, gave 2,5-anhydro-3,4,6-tri-O-benzoyl-D-(1-/sup 14/C)allononitrile. Sequential reaction of the latter with hydrogen selenide, ethyl bromopyruvate, and methanolic sodium methoxide gave methyl ..beta..-D-ribofuranosyl-4-(2-/sup 14/C)selenazolcarboxylate, the penultimate precursor to (2-/sup 14/C)CI-935, or 2-..beta..-D-ribofuranosyl-4-(2-/sup 14/C)selenazolecarboxamide.

  10. Application of pyridine-2-carbaldehyde-2-(4-methyl-1,3-benzo thiazol-2-yl)hydrazone as a neutral ionophore in the construction of a novel Er(III) sensor

    Energy Technology Data Exchange (ETDEWEB)

    Ganjali, Mohammad Reza; Norouzi, Parviz [University of Tehran, Tehran (Iran, Islamic Republic of). Center of Excellence in Electrochemistry; Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of). Endocrine and Metabolism Research Center; E-mail: ganjali@khayam.ut.ac.ir; Rezapour, Morteza; Rasoolipour, Solmaz [University of Tehran, Tehran (Iran, Islamic Republic of). Center of Excellence in Electrochemistry; Adib, Mehdi [University of Tehran, Tehran (Iran, Islamic Republic of). University College of Science. Faculty of Chemistry

    2007-03-15

    We found that pyridine-2-carbaldehyde-2-(4-methyl-1,3-benzothiazol-2-yl) hydrazone (PCMHT) can be used as a suitable neutral ionophore for preparing an Er(III) membrane sensor with high selectivity. The optimum composition was found to be PCMHT-PVC-KTpClPB-BA with the ratios of 6.0:30.0:5.0:59.0, respectively. The Nernstian response was of 21.8 {+-} 0.5 mV decade{sup -1} of Er(III) activity, the linear range of the sensor was found to be relatively wide (from 1.0X10{sup -5} to 1.0 X10{sup -2} mol L{sup -1}). Its applicability pH range of 2.5-12.0 seems to make it suitable for analytical applications. The lower detection limit (LDL) of the sensor was 5.0 X10{sup -6} mol L{sup -1}. The excellent Er(III)-selectivity of the proposed sensor with regard to most common metal ions, and especially, lanthanide ions is another advantage. It was successfully used as an indicator electrode for titration of 25 mL of a 1.0 X 10{sup -4} mol L{sup -1} Er(III) ions with a 1.0 X 10{sup -}2 mol L{sup -1} EDTA. The proposed sensor was used for direct monitoring of Er(III) in binary mixtures and indirect determination of fluoride ions in two mouth wash preparations. (author)

  11. Synthesis, molecular modeling, thermal and spectral studies of metal complexes of hydrazone derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and thiosemicarbazide.

    Science.gov (United States)

    Adly, Omima M I

    2011-09-01

    Metal complexes with the general formula [ML(H2O)(CH3OH)x]·nH2O·(CH3OH)y(NO3)z [M=Cu(II), Ni(II), Co(II), VO(IV), Cr(III), Cd(II), Zn(II) or UO2(VI); x=0-2; y=0,1; z=0,1; n=0-2, 6 and L=hydrazone (H2L) derived from condensation of thiosemicarbazide with 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione. The synthesized ligand and its metal complexes have been characterized on the basis of elemental analyses, spectral and magnetic studies as well as thermal gravimetric analysis (TGA). The deprotonated ligand acts as a dibasic tridentate (ONS) via phenolate oxygen, azomethine (CN), and thiolate (C-S) groups. Copper(II) complex exhibits square planar geometry. Nickel(II), chromium(III) and dioxouranium(VI) complexes exhibit octahedral geometry. Cobalt(II), cadmium(II) and zinc(II) complexes showed tetrahedral geometry, whereas oxovanadium(IV) reveals square pyramidal geometry. Thermal analysis are investigated and showed either three or four thermal decomposition steps. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages have been evaluated using Coats-Redfern equations. The molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data such as IR and TGA results.

  12. Synthesis, magnetic, spectral, and antimicrobial studies of Cu(II), Ni(II) Co(II), Fe(III), and UO 2(II) complexes of a new Schiff base hydrazone derived from 7-chloro-4-hydrazinoquinoline

    Science.gov (United States)

    El-Behery, Mostafa; El-Twigry, Haifaa

    2007-01-01

    A new hydrazone ligand, HL, was prepared by the reaction of 7-chloro-4-hydrazinoquinoline with o-hydroxybenzaldehyde. The ligand behaves as monoprotic bidentate. This was accounted for as the ligand contains a phenolic group and its hydrogen atom is reluctant to be replaced by a metal ion. The ligand reacted with Cu(II), Ni(II), Co(II), Fe(III), and UO 2(II) ions to yield mononuclear complexes. In the case of Fe(III) ion two complexes, mono- and binuclear complexes, were obtained in the absence and presence of LiOH, respectively. Also, mixed ligand complexes were obtained from the reaction of the metal cations Cu(II), Ni(II) and Fe(III) with the ligand (HL) and 8-hydroxyquinoline (8-OHqu) in the presence of LiOH, in the molar ratio 1:1:1:1. It is clear that 8-OHqu behaves as monoprotic bidentate ligand in such mixed ligand complexes. The ligand, HL, and its metal complexes were characterized by elemental analyses, IR, UV-vis, mass, and 1H NMR spectra, as well as magnetic moment, conductance measurements, and thermal analyses. All complexes have octahedral configurations except Cu(II) complex which has an extra square-planar geometry, while Ni(II) mixed complex has also formed a tetrahedral configuration and UO 2(II) complex which formed a favorable pentagonal biprymidial geometry. Magnetic moment of the binuclear Fe(III) complex is quite low compared to calculated value for two iron ions complex and thus shows antiferromagnetic interactions between the two adjacent ferric ions. The HL and metal complexes were tested against one stain Gram positive bacteria ( Staphylococcus aureus), Gram negative bacteria ( Escherichia coli), and fungi ( Candida albicans). The tested compounds exhibited higher antibacterial acivities.

  13. End-to-End Thiocyanato-Bridged Helical Chain Polymer and Dichlorido-Bridged Copper(II) Complexes with a Hydrazone Ligand: Synthesis, Characterisation by Electron Paramagnetic Resonance and Variable-Temperature Magnetic Studies, and Inhibitory Effects on Human Colorectal Carcinoma Cells.

    Science.gov (United States)

    Das, Kuheli; Datta, Amitabha; Sinha, Chittaranjan; Huang, Jui-Hsien; Garribba, Eugenio; Hsiao, Ching-Sheng; Hsu, Chin-Lin

    2012-04-01

    The reactions of the tridentate hydrazone ligand, N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide (HL), obtained by condensation of 2-acetylpyridine with acetic hyadrazide, with copper nitrate trihydrate in the presence of thiocyanate, or with CuCl2 produce two distinct coordination compounds, namely a one-dimensional helical coordination chain of [CuL(NCS)] n (1) units, and a doubly chlorido-bridged dinuclear complex [Cu2L2Cl2] (2) (where L=CH3C(O)=N-N=CCH3C5H4N). Single-crystal X-ray structural determination studies reveal that in complex 1, a deprotonated hydrazone ligand L(-) coordinates a copper(II) ion that is bridged to two neighbouring metal centres by SCN(-) anions, generating a one-dimensional helical coordination chain. In complex 2, two symmetry-related, adjacent copper(II) coordination entities are doubly chlorido-bridged, producing a dicopper entity with a Cu⋅⋅⋅Cu distance of 3.402 (1) Å. The two coordination compounds have been fully characterised by elemental analysis, spectroscopic techniques including IR, UV-vis and electron paramagnetic resonance, and variable-temperature magnetic studies. The biological effects of 1 and 2 on the viability of human colorectal carcinoma cells (COLO-205 and HT-29) were evaluated using an MTT assay, and the results indicate that these complexes induce a decrease in cell-population growth of human colorectal carcinoma cells with apoptosis. PMID:24551495

  14. End-to-End Thiocyanato-Bridged Helical Chain Polymer and Dichlorido-Bridged Copper(II) Complexes with a Hydrazone Ligand: Synthesis, Characterisation by Electron Paramagnetic Resonance and Variable-Temperature Magnetic Studies, and Inhibitory Effects on Human Colorectal Carcinoma Cells.

    Science.gov (United States)

    Das, Kuheli; Datta, Amitabha; Sinha, Chittaranjan; Huang, Jui-Hsien; Garribba, Eugenio; Hsiao, Ching-Sheng; Hsu, Chin-Lin

    2012-04-01

    The reactions of the tridentate hydrazone ligand, N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide (HL), obtained by condensation of 2-acetylpyridine with acetic hyadrazide, with copper nitrate trihydrate in the presence of thiocyanate, or with CuCl2 produce two distinct coordination compounds, namely a one-dimensional helical coordination chain of [CuL(NCS)] n (1) units, and a doubly chlorido-bridged dinuclear complex [Cu2L2Cl2] (2) (where L=CH3C(O)=N-N=CCH3C5H4N). Single-crystal X-ray structural determination studies reveal that in complex 1, a deprotonated hydrazone ligand L(-) coordinates a copper(II) ion that is bridged to two neighbouring metal centres by SCN(-) anions, generating a one-dimensional helical coordination chain. In complex 2, two symmetry-related, adjacent copper(II) coordination entities are doubly chlorido-bridged, producing a dicopper entity with a Cu⋅⋅⋅Cu distance of 3.402 (1) Å. The two coordination compounds have been fully characterised by elemental analysis, spectroscopic techniques including IR, UV-vis and electron paramagnetic resonance, and variable-temperature magnetic studies. The biological effects of 1 and 2 on the viability of human colorectal carcinoma cells (COLO-205 and HT-29) were evaluated using an MTT assay, and the results indicate that these complexes induce a decrease in cell-population growth of human colorectal carcinoma cells with apoptosis.

  15. 合成4-苯甲酰基-1,7-庚二酸二甲酯的方法改进%Process Improvement on the Synthesis of 4-Benzoyl-heptanedioic Acid Dimethyl Ester

    Institute of Scientific and Technical Information of China (English)

    康从民; 李园园; 吕英涛

    2013-01-01

    采用改进方法,苯乙酮与丙烯酸甲酯缩合制得4-苯甲酰基-1,7-庚二酸二甲酯,其结构经1H NMR和MS确证.较适宜的反应条件为:苯乙酮50 mmol,n(丙烯酸甲酯)∶n(苯乙酮)=2.5∶1.O,无水环境下,以甲醇钠为催化剂,于50℃反应24h,收率12.8%.%4-Benzoyl-heptanedioic acid dimethyl ester was prepared by condensation of acetophenone with methyl acrylate by improve method. The structure was confirmed by 1H NMR and MS. The optimal reaction conditions at 50 ℃ for 24 h were as follows: acetophenone was 50 mmol, n( methyl acrylate) : n(acetophenone) was 2. 5 :1. 0, catalyst was MeONa in water-free. The yield was 12. 8% under the optimal conditions.

  16. Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.

    Science.gov (United States)

    Oikonomakos, Nikos G; Kosmopoulou, Magda; Zographos, Spyros E; Leonidas, Demetres D; Chrysina, Evangelia D; Somsák, László; Nagy, Veronika; Praly, Jean-Pierre; Docsa, Tibor; Tóth, Béla; Gergely, Pál

    2002-03-01

    Two substituted ureas of beta-D-glucose, N-acetyl-N'-beta-D-glucopyranosyl urea (Acurea) and N-benzoyl-N'-beta-D-glucopyranosyl urea (Bzurea), have been identified as inhibitors of glycogen phosphorylase, a potential target for therapeutic intervention in type 2 diabetes. To elucidate the structural basis of inhibition, we determined the structure of muscle glycogen phosphorylase b (GPb) complexed with the two compounds at 2.0 A and 1.8 A resolution, respectively. The structure of the GPb-Acurea complex reveals that the inhibitor can be accommodated in the catalytic site of T-state GPb with very little change in the tertiary structure. The glucopyranose moiety makes the standard hydrogen bonds and van der Waals contacts as observed in the GPb-glucose complex, while the acetyl urea moiety is in a favourable electrostatic environment and makes additional polar contacts with the protein. The structure of the GPb-Bzurea complex shows that Bzurea binds tightly at the catalytic site and induces substantial conformational changes in the vicinity of the catalytic site. In particular, the loop of the polypeptide chain containing residues 282-287 shifts 1.3-3.7 A (Calpha atoms) to accommodate Bzurea. Bzurea can also occupy the new allosteric site, some 33 A from the catalytic site, which is currently the target for the design of antidiabetic drugs. PMID:11895439

  17. Synthesis, crystal structure analysis, spectral IR, NMR UV-Vis investigations, NBO and NLO of 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide with use of X-ray diffractions studies along with DFT calculations

    Science.gov (United States)

    Demir, Sibel; Sarioğlu, Ahmet Oral; Güler, Semih; Dege, Necmi; Sönmez, Mehmet

    2016-08-01

    The title compound, 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide compound (C22H16NO3Cl) has been synthesized and characterized by X-ray diffraction, IR, 1H and 13C NMR and UV-Vis spectra. Optimized geometrical structure, harmonic vibrational frequencies and chemical shifts were computed using hybrid-DFT (B3LYP and B3PW91) methods and 6-311G(d,p) as the basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The calculated optimized geometries, vibrational frequencies and 1H NMR chemical shift values are in strong agreement with experimentally measured values. UV-Vis spectrum of the title compound, was also recorded and the electronic properties, such as calculated energies, excitation energies, oscillator strengths, dipole moments and frontier orbital energies and band gap energies were computed with TDDFT-B3LYP methodolgy and using 6-311G(d,p) as the basis set. Furthermore, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), natural bond orbital (NBO) and non linear optical (NLO) properties were performed by using B3LYP/6-311G(d,p) level for the title compound.

  18. Extraction studies of selected actinide ions from aqueous solutions with 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione and tri-n-octylphosphine oxide

    Energy Technology Data Exchange (ETDEWEB)

    Hannink, N.J.; Hoffman, D.C. [Lawrence Berkeley Lab., CA (United States)]|[California Univ., Berkeley, CA (United States). Dept. of Chemistry; Smith, B.F. [Los Alamos National Lab., NM (United States)

    1991-11-01

    The first measurements of distribution coefficients (K{sub d}) for Cm(III), Bk(III), Cf(III), Es(III), and Fm(III) between aqueous perchlorate solutions and solutions of 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione (BMPPT) and the synergist tri-n-octylphosphine oxide (TOPO) in toluene are reported. Curium-243, berkelium-250, californium-249, einsteinium-254, and fermium-253 were used in these studies. The K{sub d} for {sup 241}Am was also measured and is in agreement with previously published results. Our new results show that the K{sub d}`s decrease gradually with increasing atomic number for the actinides with a dip at Cf. In general, the K{sub d}`s for these actinides are about a factor of 5 to 10 greater than the K{sub d}`s for the homologous lanthanides at a pH of 2.9, a BMPPT concentration of 0.2 M, and a TOPO concentration of 0.04 M. The larger K{sub d}`s for the actinides are consistent with greater covalent bonding between the actinide metal ion and the sulfur bonding site in the ligand.

  19. Extraction studies of selected actinide ions from aqueous solutions with 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione and tri-n-octylphosphine oxide

    Energy Technology Data Exchange (ETDEWEB)

    Hannink, N.J.; Hoffman, D.C. (Lawrence Berkeley Lab., CA (United States) California Univ., Berkeley, CA (United States). Dept. of Chemistry); Smith, B.F. (Los Alamos National Lab., NM (United States))

    1991-11-01

    The first measurements of distribution coefficients (K{sub d}) for Cm(III), Bk(III), Cf(III), Es(III), and Fm(III) between aqueous perchlorate solutions and solutions of 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione (BMPPT) and the synergist tri-n-octylphosphine oxide (TOPO) in toluene are reported. Curium-243, berkelium-250, californium-249, einsteinium-254, and fermium-253 were used in these studies. The K{sub d} for {sup 241}Am was also measured and is in agreement with previously published results. Our new results show that the K{sub d}'s decrease gradually with increasing atomic number for the actinides with a dip at Cf. In general, the K{sub d}'s for these actinides are about a factor of 5 to 10 greater than the K{sub d}'s for the homologous lanthanides at a pH of 2.9, a BMPPT concentration of 0.2 M, and a TOPO concentration of 0.04 M. The larger K{sub d}'s for the actinides are consistent with greater covalent bonding between the actinide metal ion and the sulfur bonding site in the ligand.

  20. Separation studies of yttrium(III) and lanthanide(III) ions with 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione and trioctylphosphine oxide using a robotic extraction system

    Energy Technology Data Exchange (ETDEWEB)

    Nekimken, H.L.; Smith, B.F.; Jarvinen, G.D.; Bartholdi, C.S. [Los Alamos National Lab., NM (United States)

    1992-07-01

    We studied the extraction of trivalent Y, La, Pr, Nd, Sm, Eu, Gd, Dy, Er, and Lu from aqueous perchlorate solutions using a mixture of 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione (HBMPPT) and trioctylphosphine oxide (TOPO). The metal ion distribution coefficients (D-values) as a function of increasing lanthanide atomic number increased initially, reached a maximum value at Nd, then decreased to a nearly constant value for Gd and the later lanthanides. The D-values vary slightly across the lanthanide series, the maximum difference being a factor of 14 between La and Nd. Analysis of slopes of plots of log D versus pH, log [HBMPPT], and log [TOPO] indicated that the stoichiometries of the extraction complexes varied across the lanthanide series showing a decrease in the number of HBMPPT (and/or BMPPT) units and an increase in the number of TOPO molecules involved in the major extraction species. This extraction system can provide a good way to separate the trivalent actinides from the trivalent lanthanides. 21 refs., 2 figs., 3 tabs.

  1. Extraction studies of selected actinide ions from aqueous solutions with 4-benzoyl-2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione and Tri-n-octylphosphine oxide

    Energy Technology Data Exchange (ETDEWEB)

    Hannink, N.J.; Hoffman, D.C. [Lawrence Berkeley Lab., CA (United States); Smith, B.F. [Los Alamos National Lab., NM (United States)

    1992-07-01

    The first measurements of distribution coefficients (k{sub d}) for Cm(III), Bk(III), Cf(III), Es(III), and Fm(III) between aqueous perchlorate solutions and solutions of 4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione (BMPPT) and the synergist tri-n-octylphosphine oxide (TOPO) in toluene are reported. Curium-243, berkelium-250, californium-249, einsteinium-254, and fermium-253 were used in these studies. The K{sub d} for {sup 241}Am was also measured and is in agreement with previously published results. Our new results show that the K{sub d}`s decrease gradually with increasing atomic number for the actinides with a dip at Cf. In general, the K{sub d}`s for these actinides are about about a factor of 10 greater than the K{sub d}`s for the homologous lanthanides at a pH of 2.9, a BMPPT concentration of 0.2 M, and a TOPO concentration of 0.04 M. The larger K{sub d}`s for the actinides are consistent with greater covalent bonding between the actinide metal ion and the sulfur bonding site in the ligand. 9 refs., 2 figs., 1 tab.

  2. When do efficacy outcomes in clinical trials correlate with clinical relevance? analysis of clindamycin phosphate 1.2%-benzoyl peroxide 3.75% gel in moderate to severe acne vulgaris.

    Science.gov (United States)

    Del Rosso, James Q

    2016-07-01

    Acne vulgaris (AV) is a common skin disease that is challenging to successfully treat due to its complex underlying pathophysiology and chronicity. Unrealistic expectations based on the desire for rapid and complete clearance or local tolerability reactions related to topical medications often lead to incomplete adherence with therapy, premature treatment cessation, and poor therapeutic outcomes. Despite stressing to patients the importance of compliance and the lag time of several weeks before visible improvement may be noted with treatments for AV, data on evaluation of the time taken to achieve a clinically meaningful improvement of AV that may be perceived by clinicians and patients are limited. Clindamycin phosphate 1.2%-benzoyl peroxide 3.75% (clindamycin-BP 3.75%) gel has been shown in pivotal trials to be effective and well tolerated in patients with moderate to severe AV. This article reviews a new concept referred to as time to onset of action (TOA), which is described in detail and illustrated using the pivotal trial data with clindamycin-BP 3.75% gel for treatment of AV. PMID:27529706

  3. Probing space charge effect on electroluminescence of indium tin oxide (ITO)/N,N′-di-[(1-naphthyl)-N,N′-diphenyl]-(1,1′-biphenyl)-4, 4′-diamine (α-NPD)/tris(8-hydroxy-quinolinato) aluminum (III) (Alq{sub 3})/Al diodes by time-resolved electric-field-induced optical second-harmonic generation measurement

    Energy Technology Data Exchange (ETDEWEB)

    Sadakata, Atsuo; Osada, Kenshiro; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa, E-mail: iwamoto@pe.titech.ac.jp

    2014-03-03

    By using time-resolved electric-field-induced optical second-harmonic generation measurement, we studied the electroluminescence (EL) mechanism which is activated in double-layer organic light-emitting diodes (indium tin oxide/N,N′-di-[(1-naphthyl)-N,N′-diphenyl]-(1,1′-biphenyl)-4,4′-diamine (α-NPD)/tris(8-hydroxy-quinolinato) aluminum (III) (Alq{sub 3})/Al) in the high frequency region with application of AC square voltages at various duty-ratios. Results showed that holes were accumulated at the α-NPD/Alq{sub 3} interface in proportion to the duty-ratio, and corresponded well to the increasing EL enhancement at the high frequency. Our previous proposed model on the EL enhancement assisted by electron injection from the Al electrode in the presence of the space charge field was well confirmed. - Highlights: • We studied space charge (SC) effects in double-layer organic light emitting diodes. • The second-harmonic generation measurement was used to directly probe the SC field. • Space charge fields due to interfacial accumulated charge were verified. • We showed that SC electric fields contribute to electroluminescence emissions.

  4. 苯亚甲基苯乙酮-4-氯苯甲酰腙的合成、晶体结勾及荧光性质%Synthesis, crystal structure and fluorescence properties of benzylidene acetophenone-4-chlorobenzoyl hydrazone

    Institute of Scientific and Technical Information of China (English)

    王亮; 刘娟; 郑长征; 任立娣

    2011-01-01

    由苯亚甲基苯乙酮和4-氯苯甲酰肼通过缩合反应,合成新的酰腙化合物苯亚甲基苯乙酮-4-氯苯甲酰腙,并培养成单晶( CCDC:848755).通过元素分析、红外光谱和X射线单晶衍射对其进行了结构表征.结果表明,该化合物为单斜晶系,空间群为P2(1)/n,晶胞学数据:a=0.913 4(6) nm,b=2.451 0(17) nm,c =0.948 9(7) nm,β=118.77.,V=1.862(2) nm3,Z=4,μ=0.218 mm-1,Dc=1.287 mg/m3,F(000) =752,R1 =0.072 2[I>2δ(I)],wR2=0.226 7(all data),GOF=0.968.荧光光谱表明,该化合物的荧光性能较好,可以作为一种潜在的光活性材料.%A new compound of benzylidene acetophenone-4-chlorobenzoyl hydrazone was synthesized through the condensation of benzylidene acetophenone and 4-chlorobenzoyl hydrazine, then it was developed into a single crystal (CCDC:848755). The compound was characterized by elemental analysis, IR and the crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to the monoclinic system with space group P2(1)/n, with α = 0. 913 4(6) nm,b =2. 451 0(17) nm, c =0.948 9(7) nm,β = 118.77°,V=1.862(2) nm3 ,Z =4, μ =0. 218 mm-1, Dc =1.287 mg/m3, F(000) =752,R, = 0.072 2[I>2δ(I)],wR2 =0.226 7(all data) ,GOF =0.968. Fluorescence spectra showed that the compound was a strong fluorescent substances can be used as a potential photoactive ma terials.

  5. Influence of terminal acryloyl arms on the coordination chemistry of a ditopic pyrimidine-hydrazone ligand: comparison of Pb(II), Zn(II), Cu(II), and Ag(I) complexes.

    Science.gov (United States)

    Hutchinson, Daniel J; Hanton, Lyall R; Moratti, Stephen C

    2013-03-01

    A new ditopic pyrimidine-hydrazone ligand, 6-hydroxymethylacryloyl-2-pyridinecarboxaldehyde, 2,2'-[2,2'-(2-methyl-4,6-pyrimidinediyl)bis(1-methylhydrazone)] (L2), was synthesized with terminal acryloyl functional groups to allow incorporation into copolymer gel actuators. NMR spectroscopy was used to show that L2 adopted a horseshoe shape with transoid-transoid pym-hyz-py linkages. Metal complexation studies were performed with L2 and salts of Pb(II), Zn(II), Cu(II), and Ag(I) ions in CH3CN in a variety of metal to ligand ratios. Reacting L2 with an excess amount of any of the metal ions resulted in linear complexes where the pym-hyz-py linkages were rotated to a cisoid-cisoid conformation. NMR spectroscopy showed that the acryloyl arms of L2 did not interact with the bound metal ions in solution. Seven of the linear complexes (1-7) were crystallized and analyzed by X-ray diffraction. Most of these complexes (4-7) also showed no coordination between the acryloyl arms and the metal ions; however, complexes 1-3 showed some interactions. Both of the acryloyl arms were coordinated to Pb(II) ions in [Pb2L2(SO3CF3)4] (1), one through the carbonyl oxygen donor and the other through the alkoxy oxygen donor. One of the acryloyl arms of [Cu2L2(CH3CN)3](SO3CF3)4 (2) was coordinated to one of the Cu(II) ions through the carbonyl oxygen donor. There appeared to be a weak association between the alkoxy donors of the acryloyl arms and the Pb(II) ions of [Pb2L2(ClO4)4]·CH3CN (3). Reaction of excess AgSO3CF3 with L2 was repeated in CD3NO2, resulting in crystals of {[Ag7(L2)2(SO3CF3)6(H2O)2] SO3CF3}∞ (8), the polymeric structure of which resulted from coordination between the carbonyl donors of the acryloyl arms and the Ag(I) ions. In all cases the coordination and steric effects of the acryloyl arms did not inhibit isomerization of the pym-hyz bonds of L2 or the core shape of the linear complexes.

  6. Spiro-oxindole derivative 5-chloro-4',5'-diphenyl-3'-(4-(2-(piperidin-1-yl) ethoxy) benzoyl) spiro[indoline-3,2'-pyrrolidin]-2-one triggers apoptosis in breast cancer cells via restoration of p53 function.

    Science.gov (United States)

    Saxena, Ruchi; Gupta, Garima; Manohar, Murli; Debnath, Utsab; Popli, Pooja; Prabhakar, Yenamandra S; Konwar, Rituraj; Kumar, Sandeep; Kumar, Atul; Dwivedi, Anila

    2016-01-01

    Breast cancer remains a significant health problem due to the involvement of multiple aberrant and redundant signaling pathways in tumorigenesis and the development of resistance to the existing therapeutic agents. Therefore, the search for novel chemotherapeutic agents for effective management of breast cancer is still warranted. In an effort to develop new anti-breast cancer agents, we have synthesized and identified novel spiro-oxindole derivative G613 i.e. 5-chloro-4',5'-diphenyl-3'-(4-(2-(piperidin-1-yl) ethoxy) benzoyl) spiro[indoline-3,2'-pyrrolidin]-2-one, which has shown growth inhibitory activity in breast cancer cells. The present study was aimed to explore the mechanism of anti-tumorigenic action of this newly identified spiro-oxindole compound. Compound G613 inhibited the Mdm2-p53 interaction in breast cancer cells and tumor xenograft. It caused restoration of p53 function by activating its promoter activity, triggering its nuclear accumulation and preventing its ubiquitination and proteasomal degradation. Supportively, molecular docking studies revealed considerable homology in the docking mode of G613 and the known Mdm2 inhibitor Nutlin-3, to p53 binding pocket of Mdm2. The activation of p53 led to upregulation of p53 dependent pro-apoptotic proteins, Bax, Pumaα and Noxa and enhanced interaction of p53 with bcl2 member proteins thus triggering both transcription-dependent and transcription-independent apoptosis, respectively. Additionally, the compound decreased estrogen receptor activity through sequestration of estrogen receptor α by p53 thereby causing a decreased transcriptional activation and expression of proliferation markers. In conclusion, G613 represents a potent small-molecule inhibitor of the Mdm2-p53 interaction and can serve as a promising lead for developing a new class of anti-cancer therapy for breast cancer patients.

  7. Cross-sectional Pilot Study of Antibiotic Resistance in Propionibacterium Acnes Strains in Indian Acne Patients Using 16S-RNA Polymerase Chain Reaction: A Comparison Among Treatment Modalities Including Antibiotics, Benzoyl Peroxide, and Isotretinoin

    Science.gov (United States)

    Sardana, Kabir; Gupta, Tanvi; Kumar, Bipul; Gautam, Hemant K; Garg, Vijay K

    2016-01-01

    Background: Antibiotic resistance is a worldwide problem in acne patients due to regional prescription practices, patient compliance, and genomic variability in Propionibacterium acnes, though the effect of treatment on the resistance has not been comprehensively analyzed. Aims: Our primary objective was to assess the level of antibiotic resistance in the Indian patients and to assess whether there was a difference in the resistance across common treatment groups. Subjects and Methods: A cross-sectional, institutional based study was undertaken and three groups of patients were analyzed, treatment naïve, those on antibiotics and patients on benzoyl peroxide (BPO) and/isotretinoin. The follicular content was sampled and the culture was verified with 16S rRNA polymerase chain reaction, genomic sequencing, and pulsed-field gel electrophoresis. Minimum inhibitory concentration (MIC) assessment was done for erythromycin (ERY), azithromycin (AZI), clindamycin (CL), tetracycline (TET), doxycycline (DOX), minocycline (MINO), and levofloxacin (LEVO). The four groups of patients were compared for any difference in the resistant strains. Results: Of the 52 P. acnes strains isolated (80 patients), high resistance was observed to AZI (100%), ERY (98%), CL (90.4%), DOX (44.2%), and TETs (30.8%). Low resistance was observed to MINO (1.9%) and LEVO (9.6%). Statistical difference was seen in the resistance between CL and TETs; DOX/LEVO and DOX/MINO (P BPO had the least number of resistant strains there was no statistical difference in the antibiotic resistance among the various groups of patients. Conclusions: High resistance was seen among the P. acnes strains to macrolides-lincosamides (AZI and CL) while MINO and LEVO resistance was low. PMID:26955094

  8. Is benzoyl peroxide 3% topical gel effective and safe in the treatment of acne vulgaris in Japanese patients? A multicenter, randomized, double-blind, vehicle-controlled, parallel-group study.

    Science.gov (United States)

    Kawashima, Makoto; Hashimoto, Hirofumi; Alio Sáenz, Alessandra B; Ono, Makoto; Yamada, Masahiro

    2014-09-01

    Benzoyl peroxide (BPO) as an anti-acne medication is not yet approved in Japan. This study evaluated the efficacy and safety of a once-daily topical application of BPO 3% gel versus an inert vehicle gel in Japanese acne patients. Three hundred and sixty patients were randomized to receive BPO 3% or vehicle for 12 weeks. The primary efficacy end-point was absolute change in number of total lesions (TL) from baseline to week 12 to demonstrate the superiority of BPO 3% versus vehicle. Secondary efficacy end-points were absolute and percent change in TL, inflammatory lesions (IL), non-inflammatory lesions (non-IL) and Investigator's Static Global Assessment (ISGA). Change in TL counts from baseline to week 12 for BPO 3% was superior to vehicle (difference, -21.0; P BPO 3% at all study visits. The proportion of patients with improvement in ISGA scores was significantly higher with BPO 3% than with vehicle from week 2. All adverse events were mild or moderate. Adverse drug-related reactions were higher for BPO 3% (30%) than with vehicle (5%). Local tolerability scores of grade 1 or more (slight to moderate) were more frequent with BPO 3% than vehicle with the most significant differences observed in dryness (56% vs 27% at week 1-4), peeling (19% vs 9% at week 1-2) and burning/stinging (58% vs 15% at week 1-12). These results indicate that BPO 3% is effective while maintaining a favorable safety and tolerability profile in Japanese acne patients.

  9. A cross-sectional pilot study of antibiotic resistance in Propionibacterium acnes strains in Indian acne patients using 16s-RNA polymerase chain reaction: A comparison among treatment modalities including antibiotics, benzoyl peroxide, and isotretinoin

    Directory of Open Access Journals (Sweden)

    Kabir Sardana

    2016-01-01

    Full Text Available Background: Antibiotic resistance is a worldwide problem in acne patients due to regional prescription practices, patient compliance, and genomic variability in Propionibacterium acnes, though the effect of treatment on the resistance has not been comprehensively analyzed. Aims: Our primary objective was to assess the level of antibiotic resistance in the Indian patients and to assess whether there was a difference in the resistance across common treatment groups. Subjects and Methods: A cross-sectional, institutional based study was undertaken and three groups of patients were analyzed, treatment naοve, those on antibiotics and patients on benzoyl peroxide (BPO and/isotretinoin. The follicular content was sampled and the culture was verified with 16S rRNA polymerase chain reaction, genomic sequencing, and pulsed-field gel electrophoresis. Minimum inhibitory concentration (MIC assessment was done for erythromycin (ERY, azithromycin (AZI, clindamycin (CL, tetracycline (TET, doxycycline (DOX, minocycline (MINO, and levofloxacin (LEVO. The four groups of patients were compared for any difference in the resistant strains. Results: Of the 52 P. acnes strains isolated (80 patients, high resistance was observed to AZI (100%, ERY (98%, CL (90.4%, DOX (44.2%, and TETs (30.8%. Low resistance was observed to MINO (1.9% and LEVO (9.6%. Statistical difference was seen in the resistance between CL and TETs; DOX/LEVO and DOX/MINO (P < 0.001. High MIC90 (≥256 μg/ml was seen with CL, macrolides, and TETs; moreover, low MIC90 was observed to DOX (16 μg/ml, MINO (8 μg/ml, and LEVO (4 μg/ml. Though the treatment group with isotretinoin/BPO had the least number of resistant strains there was no statistical difference in the antibiotic resistance among the various groups of patients. Conclusions: High resistance was seen among the P. acnes strains to macrolides-lincosamides (AZI and CL while MINO and LEVO resistance was low.

  10. 1-(2-Naphthyl-3-phenylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Si-Ping Tang

    2009-08-01

    Full Text Available The title compound, C19H14O, contains two independent molecules with the same s-cis conformation for the ketone unit. Both molecules are non-planar with dihedral angles of 51.9 (1 and 48.0 (1° between the benzene ring and the naphthalene ring system. In the crystal, neighboring molecules are stabilized by intermolecular C—H...π interactions, giving a two-dimensional supramolecular array parallel to the ab plane.

  11. Formation of a dinuclear copper(II) complex through the cleavage of CN bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    Energy Technology Data Exchange (ETDEWEB)

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor (Malaysia); Kassim, Mohammad B. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor, Malaysia and Fuel Cell Institute, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor (Malaysia)

    2014-09-03

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-(3-(pyridin-2-yl)-pyrazolato) and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the C{sub benzoyl}N bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the (3-(pyridin-2-yl)-pyrazolato)(3-(pyridin-2-yl)-1H-pyrazole)Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ε = 116 dm{sup 3} mol{sup −1} cm{sup −1}) supports the presence of Cu(II) centres.

  12. Microwave assisted solid-state synthesis, crystal structure and properties of the dialkyltin 2-Naphthyl benzoate%微波固相合成二正丁基锡2-萘甲酸酯配合物{[n-Bu2Sn(O2CC10H9)]2O}2及其结构与性质研究

    Institute of Scientific and Technical Information of China (English)

    张复兴; 王剑秋; 邝代治; 冯泳兰; 张志坚; 李俊华; 张可

    2011-01-01

    二正丁基氧化锡和2-萘甲酸按物质的量比1∶1,通过微波固相合成法合成了二正丁基锡2-萘甲酸酯配合物{[n-Bu2Sn(O2CC10H9)]2O}2.经X-射线衍射方法测定了其晶体结构,配合物属三斜晶系,空间群为π,晶体学参数a=1.19564(7)nm,b=1.26634(7)nm,c=1.42679(9)nm,α=79.7120(10),β=69.0330(10)°,γ=72.1050(10)°,V=1.9146(2)nm3,Z=1,Dc=1.430 g/cra3,μ(MoKa)=13.42 cm-1,F(000)=836,R1=0.0426,wR2=0.1189.配合物是以Sn2O2构成的平面四元环为中心环的二聚体结构,锡原子均为五配位的畸变三角双锥构型.对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征.通过循环伏安法研究了其电化学性质.%The dialkyltin 2-Naphthyl benzoate Compound {[n-Bu2Sn(O2CC10H9)]2I}2 was synthesized by Microwave assisted solid-state synthesis. Its structure has been determined by X-ray single crystal diffraction. The crystal belongs to triclinic with space groupPI-, a = 1.19564(7) nm, b =1.26634(7) nm, c =1. 42679(9) nm, α = 79.7120(10),βi = 69.0330(10)°, γ=72.1050(10)°, V= 1.9146(2) nm3, Z=1, Dc = 1.430 g/cm3, μ(UoKa)=l3A2 cm-1, F(000)=836, R1=0.0426, wR2=0.1189. In the complex, the tin atoms are rendered five-coordination in a distorted tigonal bipyram idalstructure, and the dimer structure is shaped by one Sn2O2 planar. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. The electrochemistry propertieswere studied by cyclic voltammetry.

  13. Spectroscopic and biological studies of new binuclear metal complexes of a tridentate ONS hydrazone ligand derived from 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one and 4,6-diacetylresorcinol.

    Science.gov (United States)

    Adly, Omima M I; Emara, Adel A A

    2014-11-11

    The binuclear hydrazone, H2L, ligand derived from 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one and 4,6-diacetylresorcinol, in the molar ratio 2:1, and its copper(II), nickel(II), cobalt(II), zinc(II), cadmium(II), cerium(III), iron(III), oxovanadium(IV) and dioxouranium(VI) complexes have been synthesized. Structures of the ligand and its metal complexes were characterized by elemental analyses, spectral (infrared, electronic, mass, 1H NMR and ESR) data, magnetic susceptibility, molar conductivity measurements and thermal gravimetric analysis (TGA). The ligand acts as dibasic with two ONS tridentate sites. The bonding sites are the azomethine nitrogen, phenolate oxygen and sulfur atoms. The metal complexes exhibit different geometrical arrangements such as square planer, tetrahedral and octahedral. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition steps of some complexes. The ligand and its metal complexes showed antimicrobial activity towards Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis), Gram-negative bacteria (Salmonella typhimurium and Escherichia coli), yeast (Candida albicans) and fungus (Aspergillus fumigatus). Structural parameters of the ligand and its metal complexes were theoretically computed on the basis of semiempirical PM3 level, and the results were correlated with their experimental data.

  14. Eficácia da combinação tópica de peróxido de benzoíla 5% e clindamicina 1% para o tratamento da hipomelanose macular progressiva: um estudo randomizado, duplo-cego, placebo-controlado Efficacy of topical combination of benzoyl peroxide 5% and clindamycin 1% for the treatment of progressive macular hypomelanosis: a randomized, doubleblind, placebo-controlled trial

    Directory of Open Access Journals (Sweden)

    Jussamara Brito Santos

    2011-02-01

    Full Text Available FUNDAMENTOS: A hipomelanose macular progressiva é uma dermatose sem etiologia definida. Não há consenso ou medicação de primeira linha para o seu tratamento e os tratamentos utilizados são pouco eficazes. OBJETIVO: Avaliar a eficácia terapêutica da combinação tópica de peróxido de benzoíla 5% e clindamicina 1% associada à exposição solar para o tratamento da hipomelanose macular progressiva. MATERIAIS E MÉTODOS: Trata-se de um estudo randomizado, duplo-cego, placebo-controlado, no qual os pacientes foram divididos em dois grupos: o Grupo A utilizou a combinação tópica de peróxido de benzoíla 5% e clindamicina 1% e o Grupo B usou um creme gel como placebo. Os pacientes foram orientados à exposição solar diária, avaliados e fotografados sistematicamente. Os dados coletados foram inseridos e analisados pelo software Epi Info. Definiu-se a significância estatística por valor de pBACKGROUND: Progressive macular hypomelanosis is a dermatosis without definite etiology. There is no consensus or first-line therapy in the treatment of progressive macular hypomelanosis, and the treatment options used are very little effective. OBJECTIVE: To evaluate the therapeutic efficacy of the topical combination of benzoyl peroxide 5% and clindamycin 1% associated with sun exposure for the treatment of progressive macular hypomelanosis. MATERIALS AND METHODS: This is a randomized, double-blind, placebo-controlled study in which patients were divided into two groups. Group A used the topical combination of benzoyl peroxide 5% and clindamycin 1% and Group B used gel cream as a placebo. Patients were advised to expose themselves to the sun on a daily basis and were systematically evaluated and photographed. The collected data were entered and analyzed using Epi Info. A p value < 0.05 was considered statistically significant. RESULTS: Out of the 23 patients included in the study, 13 were in group A and 10 in group B. Eleven patients (85% in

  15. Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1H-pyrazolo[3,4-b]quinoline and two 1H-pyrazolo[3,4-b]quinolines.

    Science.gov (United States)

    Kumara, Tholappanavara H Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B V; Kaur, Manpreet; Jasinski, Jerry P; Glidewell, Christopher

    2016-09-01

    Hydrazone derivatives exhibit a wide range of biological activities, while pyrazolo[3,4-b]quinoline derivatives, on the other hand, exhibit both antimicrobial and antiviral activity, so that all new derivatives in these chemical classes are potentially of value. Dry grinding of a mixture of 2-chloroquinoline-3-carbaldehyde and 4-methylphenylhydrazinium chloride gives (E)-1-[(2-chloroquinolin-3-yl)methylidene]-2-(4-methylphenyl)hydrazine, C17H14ClN3, (I), while the same regents in methanol in the presence of sodium cyanoborohydride give 1-(4-methylphenyl)-4,9-dihydro-1H-pyrazolo[3,4-b]quinoline, C17H15N3, (II). The reactions between phenylhydrazinium chloride and either 2-chloroquinoline-3-carbaldehyde or 2-chloro-6-methylquinoline-3-carbaldehyde give, respectively, 1-phenyl-1H-pyrazolo[3,4-b]quinoline, C16H11N3, (III), which crystallizes in the space group Pbcn as a nonmerohedral twin having Z' = 3, or 6-methyl-1-phenyl-1H-pyrazolo[3,4-b]quinoline, C17H13N3, (IV), which crystallizes in the space group R\\overline{3}. The molecules of compound (I) are linked into sheets by a combination of N-H...N and C-H...π(arene) hydrogen bonds, and the molecules of compound (II) are linked by a combination of N-H...N and C-H...π(arene) hydrogen bonds to form a chain of rings. In the structure of compound (III), one of the three independent molecules forms chains generated by C-H...π(arene) hydrogen bonds, with a second type of molecule linked to the chains by a second C-H...π(arene) hydrogen bond and the third type of molecule linked to the chain by multiple π-π stacking interactions. A single C-H...π(arene) hydrogen bond links the molecules of compound (IV) into cyclic centrosymmetric hexamers having \\overline{3} (S6) symmetry, which are themselves linked into a three-dimensional array by π-π stacking interactions. PMID:27585930

  16. Estudo clínico, prospectivo, aberto, randomizado e comparativo para avaliar a segurança e a eficácia da luz azul versus peróxido de benzoíla 5% no tratamento da acne inflamatória graus II e III A prospective, randomized, open and comparative study to evaluate the safety and efficacy of blue light treatment versus a topical benzoyl peroxide 5% formulation in patients with acne grade II and III

    Directory of Open Access Journals (Sweden)

    Lúcia H. F. de Arruda

    2009-10-01

    Full Text Available FUNDAMENTOS: Muitos pacientes relatam melhora da acne com a exposição à luz solar, e vários estudos demonstram que a luz azul é efetiva no tratamento da acne. OBJETIVOS: Verificar a segurança e a eficácia da luz azul (espectro eletromagnético de 407 a 420 nm no tratamento da acne inflamatória graus II e III, comparada à terapêutica tópica com peróxido de benzoíla a 5%. MÉTODOS: O estudo avaliou 60 pacientes em cinco visitas: uma de seleção, uma com 7, 14 e 28 dias de tratamento e uma última de seguimento, 14 dias após o término do tratamento. Trinta foram randomizados para luz azul (oito sessões, duas vezes por semana, e outros 30, para peróxido de benzoíla a 5%, duas vezes ao dia, diariamente. A avaliação foi por meio da contagem das lesões e fotografias. RESULTADOS: A redução no número médio de lesões foi semelhante com os dois tratamentos, independente do tipo de lesão (p 0,05, porém o tratamento com a luz azul apresentou menos efeitos colaterais. CONCLUSÕES: A luz azul foi um tratamento tão eficaz quanto o peróxido de benzoíla a 5% para o tratamento da acne graus II e III, mas com menos efeitos adversos.BACKGROUND: Many acne patients improve after exposure to sunlight and there are many reports about the efficacy of blue light phototherapy on acne lesions. OBJECTIVES - The purpose of this study was to evaluate efficacy and safety of blue light treatment versus topical benzoyl peroxide 5% formulation in patients with acne grades II and III. METHODS - Sixty volunteers with facial acne were included and evaluated in 5 visits: the first one for screening, another 3 held on days 7, 14 and 28 of treatment, and the last one after 14 days of the end of treatment. Thirty of them were irradiated with Blue Light (8 times, twice a week and the other thirty were treated with topical Benzoyl Peroxide 5% formulation, auto-applied twice a day, every day. We assessed the severity of acne by counting the lesions and

  17. 1-苯甲酰基-3-(4,6-二甲氧基嘧啶-2-氨基)硫脲的合成、晶体结构及生物活性%Synthesis and Crystal Structure of 1-benzoyl-3-(4,6-dimethoxylpyrimidin-2-yl)thiourea

    Institute of Scientific and Technical Information of China (English)

    傅丁薇; 宋纪蓉; 任莹辉; 吕兴强; 胡怀明

    2007-01-01

      1-Benzoyl-3-(4,6-dimethoxylpyrimidin-2-yl)thiourea was synthesized with 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and benzoyl chloride in ethyl acetate. Its structure was characterized by X-ray diffraction analysis, which shows four molecules in each structural unit. The crystal belongs to triclinic, space group P⎯1 with a=0.9040(2)nm, b=1.8285(4)nm, c=1.8931(5) nm,α=70.217(4) º,β=80.583(4) º,γ=84.110(4)º, V=2901.3(12)Ǻ3, Dc=1.458 g/cm3,μ(MoKα)=0.242 mm-1, F(000)=1328, Z=8, R=0.0637, wR=0.1698 for 2095 observed reflections [FO>4sig(FO)]. The existence of the staggered intermolecular N—H⋅⋅⋅S (DA) and complementary C—H⋅⋅⋅O (DA) hydrogen bonds between the adjacent molecules in the same layer, together with the weak π⋅⋅⋅π stacking interactions between the near two layers, leads to the formation of multi-dimensional supramolecular networks. This type of compound has nice effect on growth regulation of wheat.%  以2-氨基-4,6-二甲氧基嘧啶、硫氰酸钾和苯甲酰氯为原料,在乙酸乙酯中合成了1-苯甲酰基-3-(4,6-二甲氧基嘧啶-2-氨基)硫脲,并用X射线单晶衍射法测定其晶体结构.结果表明每个结构单元中有4个分子,该化合物属于三斜系, P⎯1空间群,a=0.9040(2)nm, b=1.8285(4)nm, c=1.8931(5) nm,α=70.217(4)º,β=80.583(4)º,γ=84.110(4)º,V=2901.3(12)Ǻ3,Dc=1.458 g/cm3,μ=0.242 mm-1, F(000)=1328, Z=8,R=0.0637,由2095个可观测衍射点[FO>4sig(FO)]得到的wR=0.1698.同层中相邻分子间的分子间氢键N—H⋅⋅⋅S (DA)和C—H⋅⋅⋅O (DA)的交叉作用以及层与层之间弱的π⋅⋅⋅π堆积作用使得化合物形成网状超分子结构.该结构的化合物具有良好的生物活性.

  18. Anti-diabetic and anti-adipogenic effects of a novel selective 11β-hydroxysteroid dehydrogenase type 1 inhibitor, 2-(3-benzoyl)-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazine-2-yl-1-phenylethanone (KR-66344).

    Science.gov (United States)

    Park, Ji Seon; Rhee, Sang Dal; Kang, Nam Sook; Jung, Won Hoon; Kim, Hee Youn; Kim, Jun Hyoung; Kang, Seung Kyu; Cheon, Hyae Gyeong; Ahn, Jin Hee; Kim, Ki Young

    2011-04-15

    The selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) have considerable potential for treating type 2 diabetes mellitus and metabolic syndrome. In the present study, we investigated the anti-diabetic and anti-adipogenic effects of 2-(3-benzoyl)-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazine-2-yl-1-phenylethanone (KR-66344), as a 11β-HSD1 inhibitor; we also investigated the underlying molecular mechanisms in the cortisone-induced 3T3-L1 adipogenesis model system and C57BL/6-Lep(ob/ob) mice. KR-66344 concentration-dependently inhibited 11β-HSD1 activity in human liver microsome, mouse C2C12 myotube and human SW982 cells. In the C57BL/6-Lep(ob/ob) mice study, the administration of KR-66344 (200mg/kg/d, orally for 5 days) improved the glucose intolerance as determined by the oral glucose tolerance test, in which the area under the curve (AUC) of the plasma glucose concentration was significantly reduced by 27% compared with the vehicle treated group. Further, KR-66344 suppressed adipocyte differentiation on cortisone-induced adipogenesis in 3T3-L1 cells is associated with the suppression of the cortisone-induced mRNA levels of FABP4, G3PD, PPARγ2 and Glut4, and 11β-HSD1 expression and activity. Our results additionally demonstrate evidence showing that KR-66344 improved glycemic control and inhibited adipogenesis via 11β-HSD1 enzyme activity. Taken together, these results may provide evidence of the therapeutic potential of KR-66344, as a 11β-HSD1 inhibitor, in obesity and type 2 diabetes patients with metabolic syndrome.

  19. Synthesis, structural and fungicidal studies of hydrazone based coordination compounds.

    Science.gov (United States)

    Sharma, Amit Kumar; Chandra, Sulekh

    2013-02-15

    The coordination compounds of the Co(II), Ni(II) and Cu(II) metal ions derived from imine based ligand, benzil bis(carbohydarzone) were structurally and pharmaceutically studied. The compounds have the general stoichiometry [M(L)]X(2) and [Co(L)X(2)], where M=Ni(II) and Cu(II), and X=NO(3)(-) and Cl(-) ions. The analytical techniques like elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV/Visible, NMR, ESI mass and EPR were used to study the compounds. The key IR bands, i.e., amide I, amide II and amide III stretching vibrations accounts for the tetradentate metal binding nature of the ligand. The electronic and EPR spectral results suggest the square planar Ni(II) and Cu(II) complexes (g(iso)=2.11-2.22) and tetragonal geometry Co(II) complexes (g(iso)=2.10-2.17). To explore the compounds in the biological field, they were examined against the opportunistic pathogens, i.e., Alternaria brassicae, Aspergillus niger and Fusarium oxysporum. The partial covalent character of metal-ligand bond is supported by the orbital reduction factor k (0.62-0.92) and nephalauxetic parameter β (0.55-0.57).

  20. 4 '-acetyl benzo-15-crown-5 2-naphthyloxyacetyl hydrazone

    Institute of Scientific and Technical Information of China (English)

    ZHOU Yan-qing; WEI Tai-bao; ZHANG You-ming; ZONG Guo-qiang

    2004-01-01

    Aryloxyacetic acid and its derivatives often possess many important biological activities.Some of them are used as herbicides and plant-growth regulators. In continuation of our previous work on synthesis and biological activities1,2,3, we decided to design series of compounds containing the aryloxyacetyl group and crown ether to study the variation of bioactivities and the effect of the substituents on the ability of the crown ether to bind metal ions4,5. Recently, we determined related crystal structures6,7,8 , in order to study both bioactivities and coordination behaviour. In view of these encouraging results, the structure of the title compound (Figure 1), was obtained and is reported here.Figure 1 The molecule configuration and atom-numbering schem for the title compound,showing ellipsoids at the 50% probability level.Crystals of the ritle compound, C28H32N2O7, is monoclinic, space group P2(1)/c, a = 8.808(3), b =24.579(7), c =11.984(4), α = 90.00, β = 97.248(6), γ = 90.00, Z = 4, Dx= 1. 313 Mg m-3 ,Mo K α, λ =0.71073 , = 9.5mm-1 , F(000) = 1080, T =293(2) K, R = 0.0594, wR=0.1184 for 2575reflections [I>2 σ (Ⅰ) ] .The title compound adopts a syn-anti conformation, which enables N2-H...O6 intermolecule hydrogen bonds to be formed between centrosymmetrically related molecules. The resulting eight-membered rings join these molecules together as characteristic dimmers.

  1. Benzoyl peroxide-induced damage to DNA and its components

    DEFF Research Database (Denmark)

    Hazlewood, C; Davies, Michael Jonathan

    1996-01-01

    , sugars, nucleosides, nucleotides, RNA, and DNA have been examined and the intermediate species have been identified in many cases. Comparison of these data with those obtained with Ph. alone has allowed the reactions of PhCO2. and Ph. to be distinguished. Evidence has been obtained which is consistent...... of base adducts, though the exact identity of the species detected in these cases could not be determined due to the complexity of the spectra. Hydrogen abstraction at the sugar-phosphate backbone is also believed to occur with these substrates as strand breakage is observed; the extent of the latter...... is dependent on the radical flux and the attacking species, with PhCO2. appearing to be a much more effective inducer of fragmentation than Ph. The nature of the species detected with all the substrates examined, with the exception of the isolated sugars where essentially random attack by both radicals...

  2. Ethyl N-(2-benzoyl-3-oxo-3-phenylpropanoylcarbamate

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2013-02-01

    Full Text Available In the title compound, C19H17NO5, the dihedral angle between the phenyl groups is 79.55 (15°. The terminal ethoxy group is disordered over two orientations in a 0.873 (6:0.127 (6 ratio. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds into [001] chains which incorporate R12(6 loops. A very weak C—H...π contact also occurs.

  3. Photocarcinogenesis promotion studies with benzoyl peroxide (BPO) and croton oil.

    Science.gov (United States)

    Epstein, J H

    1988-08-01

    Previous studies demonstrated that BPO can promote chemically initiated tumor formation in SENCAR mice. In addition, a number of chemicals have been shown to promote and/or enhance UVR induced carcinogenesis. This study examined the effect of BPO on UVR initiated tumor formation. One hundred and forty-eight Uscd mice received 270 mJ/cm2 of UVB radiation to the posterior halves of their backs 3 times a week for 8 weeks. Four weeks later the mice were divided into 4 groups. Group I received croton oil in acetone applications to the back 5 times a week for the duration of the study. Group II received acetone, Group III received the BPO diluent, and Group IV received the BPO in an aqueous diluent applications as in Group I. One mouse in Group II (acetone) and one in Group IV (BPO) developed tumors in unirradiated skin. In the UVR initiated skin 38% of the survivors developed tumors in Group I (croton oil), whereas 5% did in Group II (acetone), 8% in Group III (BPO base), and 8% group IV (BPO). Thus under the circumstances of this study croton oil did promote UV initiated tumor formation but BPO did not. These results are consistent with those recently reported by Iversen.

  4. ADSORPTION OF LATERALLY INTERACTING 1-NAPHTHOL/1-NAPHTHYL AMINE MIXTURES ON NONPOLAR SURFACES FROM AQUEOUS SOLUTIONS

    Institute of Scientific and Technical Information of China (English)

    Wei-ming Zhang; Jin-long Chen; Qun Chen; Ming-yang He; Bing-cai Pan; Quan-xing Zhang

    2006-01-01

    The binary adsorption behavior of 1-naphthol/1-naphthylamine mixtures in water on nonpolar adsorbent Amberlite XAD4 was investigated at 293 K, 303 K and 313 K, respectively. The experimental uptakes of 1-naphthol and 1-naphthylamine in all binary-component systems of different molar ratios were obviously higher than the corresponding uptakes predicted by the extended Langmuir model, assuming no interaction between the adsorbed molecules of the two components. This phenomenon was attributed to the cooperative adsorption effect arising from the hydrogen bonding interaction between 1-naphthol and 1-naphthylamine molecules. A modified extended Langmuir model was proposed to describe the binary adsorption behavior by means of introducing a fitting parameter related with the cooperative adsorption effect of the adsorbates.

  5. Cytotoxicity, anti-angiogenic, apoptotic effects and transcript profiling of a naturally occurring naphthyl butenone, guieranone A

    Directory of Open Access Journals (Sweden)

    Kuete Victor

    2012-06-01

    Full Text Available Abstract Background Malignant diseases are responsible of approximately 13% of all deaths each year in the world. Natural products represent a valuable source for the development of novel anticancer drugs. The present study was aimed at evaluating the cytotoxicity of a naphtyl butanone isolated from the leaves of Guiera senegalensis, guieranone A (GA. Results The results indicated that GA was active on 91.67% of the 12 tested cancer cell lines, the IC50 values below 4 μg/ml being recorded on 83.33% of them. In addition, the IC50 values obtained on human lymphoblastic leukemia CCRF-CEM (0.73 μg/ml and its resistant subline CEM/ADR5000 (1.01 μg/ml and on lung adenocarcinoma A549 (0.72 μg/ml cell lines were closer or lower than that of doxorubicin. Interestingly, low cytotoxicity to normal hepatocyte, AML12 cell line was observed. GA showed anti-angiogenic activity with up to 51.9% inhibition of the growth of blood capillaries on the chorioallantoic membrane of quail embryo. Its also induced apotosis and cell cycle arrest. Ingenuity Pathway Analysis identified several pathways in CCRF-CEM cells and functional group of genes regulated upon GA treatment (P , the Cell Cycle: G2/M DNA Damage Checkpoint Regulation and ATM Signaling pathways being amongst the four most involved functional groups. Conclusion The overall results of this work provide evidence of the cytotoxic potential of GA and supportive data for its possible use in cancer chemotherapy.

  6. Synthesis, Structure and Thermochromic Properties of a Copper(Ⅱ) Complex Based on Naphthyl Carboxylate and Benzimidazolyl Ligands

    Institute of Scientific and Technical Information of China (English)

    YIN Fu-Jun; ZHAO Hong; XU Xing-You; YANG Xu-Jie

    2013-01-01

    One novel copper(Ⅱ) complex,[Cu(NAA)2(bim)2]·H2O (1,HNAA =a-naphthylacetic acid,bim =benzimidazole) has been synthesized and characterized by X-ray single-crystal diffraction analysis,elemental analysis,and IR spectrum.It crystallizes in monoclinic,space group C2/c with a =1.15969(12),b =1.9757(2),c =1.45763(16) nm,β =104.712(2)°,V=3.2298(6) nm3,Z =4,C38H32N4OsCu,Mr =688.22,Dc =1.418 g/cm-3,μ =0.729 mm-1,S =1.039,F(000) =1428,the final R =0.0380 and wR =0.0912 for 2849 unique reflections.In 1,two carboxylate and two benzimidazole ligands coordinate to the central Cu(Ⅱ) atom by a bidentate chelate mode.Interesting,reversible thermochromic properties of 1 can be observed and investigated by thermal analysis method.

  7. Synthesis molecular modeling and anticonvulsant activity of some hydrazone, semicarbazone, and thiosemicarbazone derivatives of benzylidene camphor

    OpenAIRE

    Agrawal, Saurabh

    2014-01-01

    Saurabh Agrawal,1 Jainendra Jain,2 Ankit Kumar,3 Pratibha Gupta,4 Vikas Garg5 1Meerut Institute of Engineering and Technology, Meerut, Uttar Pradesh, India; 2Ram–Eesh Institute of Vocational and Technical Education, Greater Noida, Uttar Pradesh, India; 3Kharvel Subharti College of Pharmacy, Swami Vivekanand Subharti University, Meerut, Uttar Pradesh, India; 4Atarra Degree College, Atarra, Banda, India; 5Manipal College of Pharmaceutical Sciences, Manipal University, Manipal, Karnata...

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

    DEFF Research Database (Denmark)

    Larsen, Dennis

    added to these equilibrator-containing libraries, from which ligands for several transition metals (Pd, Ni, and Zn) were identified. In the second part of this thesis, the discovery that thiosemicarbazones catalyse the tetrahydropyranylation of alcohols in dichloromethane at room temperature......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...... is presented. This represents the first use, to the best of the author’s knowledge, of thiosemicarbazones for organocatalysis. Guided by kinetics studies, a range of catalysts were developed and evaluated, and this showed that thiosemicarbazone catalysts are highly tuneable. The best thiosemicarbazone catalyst...

  9. Construction of an Asymmetric Quaternary Carbon Center via Allylation of Hydrazones

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jin Bum; Satyender, Apuri; Jang, Doo Ok [Yonsei Univ., Wonju (Korea, Republic of)

    2013-11-15

    Asymmetric indium-mediated allylation of imine derivatives bearing a chiral auxiliary is a reliable strategy for the synthesis of chiral homoallylic amines. Various techniques for indium-mediated stereoselective allylation of imines bearing a chiral auxiliary have been reported. In 1997 Loh and co-workers reported indium-mediated allylation with imines derived from L-valine methyl ester. Since then, many forms of indium-mediated allylation bearing a chiral auxiliary have been reported, including imines derived from (S)-valinol, (R)-phenylglycinol, uracil, (R)-phenylglycinol methyl ester, N-tert-butanesufinamide, and (1R,2S)-1-amino-2-indanol. However, the synthesis of chiral auxiliaries often involves a laborious multi-step synthesis with expensive reagents. Therefore, the development of readily accessible chiral auxiliaries for asymmetric indium-mediated all-ylation is in high demand.

  10. Synthesis, Structure Optimization and Antifungal Screening of Novel Tetrazole Ring Bearing Acyl-Hydrazones

    Directory of Open Access Journals (Sweden)

    Manzoor A. Malik

    2012-08-01

    Full Text Available Azoles are generally fungistatic, and resistance to fluconazole is emerging in several fungal pathogens. In an attempt to find novel azole antifungal agents with improved activity, a series of tetrazole ring bearing acylhydrazone derivatives were synthesized and screened for their in vitro antifungal activity. The mechanism of their antifungal activity was assessed by studying their effect on the plasma membrane using flow cytometry and determination of the levels of ergosterol, a fungal-specific sterol. Propidium iodide rapidly penetrated a majority of yeast cells when they were treated with the synthesized compounds at concentrations just above MIC, implying that fungicidal activity resulted from extensive lesions of the plasma membrane. Target compounds also caused a considerable reduction in the amount of ergosterol. The results also showed that the presence and position of different substituents on the phenyl ring of the acylhydrazone pendant seem to play a role on the antifungal activity as well as in deciding the fungistatic and fungicidal nature of the compounds.

  11. Antibacterial and Enzyme Inhibition Study of Hydrazone Derivatives Bearing 1, 3, 4-Oxadiazole

    Directory of Open Access Journals (Sweden)

    S. Rasool

    2015-03-01

    Full Text Available The antibacterial and lipoxygenase enzyme inhibition activities of two series of compounds have been investigated in the presented work. The 4-methyl/hydroxy benzoic acids (1a & 1b were used as starting materials to prepare corresponding esters (2a & 2b, hydrazides (3a & 3b, 5-(4-methylphenyl/4-hydroxyphenyl-1,3,4-oxadiazol-2-thiols (4a & 4b, S-substituted esters (5a & 5b and acetohydrazides (6a & 6b. The acetohydrazones, 8a-i & 9a-i, were synthesized by stirring 6a & 6b with mono(disubstituted phenylcarboxaldehydes (7a-i in methanol. The data of IR, 1H-NMR and EIMS spectral techniques well confirmed the structural formulae of synthesized compounds. The molecules of 4-methyl series rendered the better results than those of 4-hydroxy series.

  12. Bis-isatin hydrazones with novel linkers: Synthesis and biological evaluation as cytotoxic agents.

    Science.gov (United States)

    Ibrahim, Hany S; Abou-Seri, Sahar M; Ismail, Nasser S M; Elaasser, Mahmoud M; Aly, Mohamed H; Abdel-Aziz, Hatem A

    2016-01-27

    Many bis-isatins and isatins with hydrazide extension were reported to have a potential anti-proliferative effects against different cancer cell lines and cancer targets. In this study, four series of bis-isatins with hydrazide linkers were synthesized. These compounds were investigated for their antitumor activity by assessing their cytotoxic potency against HepG2, MCF-7 and HCT-116 cancer cell lines. Compound 21c possessed significant cytotoxic activity against MCF-7 (IC50 = 1.84 μM) and HCT-116 (IC50 = 3.31 μM) that surpasses the activity of doxorubicin against both cell lines (MCF-7; IC50 = 2.57 μM and HCT-116; IC50 = 3.70 μM). Cell cycle analysis and annexin V-FITC staining of MCF-7 cells treated with 21c suggested that the cytotoxic effect of the compound could be attributed to its pro-apoptotic activity.

  13. The DFT investigations of the electron injection in hydrazone-based sensitizers

    KAUST Repository

    Al-Sehemi, Abdullah G.

    2012-03-01

    Quantum chemical calculations were carried out by using density functional theory and time-dependant density functional theory at B3LYP/6-31G(d) and TD-B3LYP/6-31G(d) level of theories. The absorption spectra have been computed with and without solvent. The calculated absorption spectra in ethanol, acetonitrile, and methanol are in good agreement with experimental evidences. The absorption spectra are red shifted compared to System1. On the basis of electron injection and electronic coupling constant, we have shed light on the nature of different sensitizers. The coplanarity between the benzene near anchoring group having LUMO and the bridge (N-N) is broken in System6 and System7 that would hamper the recombination process. The electron injection of System2-System10 is superior to System1. The highest electronic coupling constant has been observed for System6 that followed the System7 and System8. The light-harvesting efficiency of all the sensitizers enlarged in acetonitrile and ethanol. The long-range-corrected functional (LC-BLYP), Coulomb-attenuating method (CAM-B3LYP), and BH and HLYP functional underestimate the excitation energies while B3LYP is good to reproduce the experimental data. Moreover, we have investigated the effect of cyanoacetic acid as anchoring group on the electron injection. © 2012 Springer-Verlag.

  14. Aroylhydrazone iron chelators: Tuning antioxidant and antiproliferative properties by hydrazide modifications.

    Science.gov (United States)

    Hrušková, Kateřina; Potůčková, Eliška; Hergeselová, Tereza; Liptáková, Lucie; Hašková, Pavlína; Mingas, Panagiotis; Kovaříková, Petra; Šimůnek, Tomáš; Vávrová, Kateřina

    2016-09-14

    Aroylhydrazones such as salicylaldehyde isonicotinoyl hydrazone (SIH) are tridentate iron chelators that may possess antioxidant and/or antineoplastic activities. Their main drawback, their low stability in plasma, has recently been partially overcome by exchanging the aldimine hydrogen for an unbranched alkyl group. In this study, ten analogs of methyl- and ethyl-substituted SIH derivatives with modified hydrazide scaffolds were synthesized to further explore their structure-activity relationships. Their iron-chelation efficiencies, anti- or pro-oxidant potentials, abilities to induce protection against model oxidative injury on the H9c2 cell line derived from rat embryonic cardiac tissue, cytotoxicities on the same H9c2 cells and antiproliferative activities on MCF-7 human breast adenocarcinoma and HL-60 human promyelotic leukemia cell lines were evaluated. Compounds derived from lipophilic naphthyl and biphenyl hydrazides displayed highly selective antiproliferative activities against both MCF-7 and HL-60 cell lines, and they showed markedly improved stabilities in plasma compared to SIH. Of particular interest is a hydrazone prepared from 2-hydroxypropiophenone and pyridazin-4-carbohydrazide that showed a considerable antiproliferative effect and protected cardiomyoblasts against oxidative stress with a five-fold higher selectivity compared to the parent compound SIH. Thus, this work highlighted new structure-activity relationships among antiproliferative and antioxidant aroylhydrazones and identified new lead compounds for further development. PMID:27187862

  15. ADSORPTION CHARACTERISTICS OF CHLOROPHENOLS FROM AQUATIC SYSTEMS BY HYPERCROSSLINKED RESINS MODIFIED WITH BENZOYL GROUP

    Institute of Scientific and Technical Information of China (English)

    Jing-ping Wang; Zheng-hao Fei

    2006-01-01

    A hypercrosslinked polymeric adsorbent (ZH-03) for adsorbing and removing chlorophenolic compounds from their aqueous solutions was studied, including the static adsorption. The equilibrium adsorption data were fit to Freundlich adsorption isothermic models to evaluate the model parameters. Thermodynamic studies on the adsorption of chlorophenolic compounds on ZH-03 indicated that there were chemisorption transitions for 2,4,6-trichlorophenol and physical adsorption processes for 2-chlorophenol and 2,6-chlorophenol, and ZH-03 showed the homogeneous nature of the adsorbent surface.Column adsorption for chlorophenols wastewater shows the advantages of the ZH-03 adsorbent for adsorbing the following chlorophenolic compounds as 2-chlorophenol, 2,6-dichlorophenol and 2,4,6-trichlorophenol. Sodium hydroxide was used for desorpting chlorophenols from ZH-03 and showed excellent performance.

  16. Bis(3-benzoyl-1,1-di-sec-butylthioureato-κ2O,Spalladium(II

    Directory of Open Access Journals (Sweden)

    Edward R. T. Tiekink

    2011-10-01

    Full Text Available The complex molecule of the title complex, [Pd(C16H23N2OS2], is completed by crystallographic twofold symmetry with the metal atom lying on the rotation axis. The PdII atom exists within a slightly distorted square-planar geometry defined by a cis-O2S2 donor set. The dihedral angle formed between the mean planes of the symmetry-related six-membered chelate rings is 12.88 (7° and the bond lengths within the rings are indicative of significant electron delocalization. In the crystal, molecules aggregate into dimers linked by four C—H...O interactions.

  17. Crystal structure of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-ylbenzamide

    Directory of Open Access Journals (Sweden)

    Manpreet Kaur

    2014-09-01

    Full Text Available In the title compound, C22H19NO2S, the cyclohexene ring adopts a half-chair conformation. The dihedral angles between the plane of the thiophene ring and those of its amide- and carbonyl-bonded benzene rings are 7.1 (1 and 59.0 (2°, respectively. An intramolecular N—H...O hydrogen bond generates an S(6 ring. In the crystal, very weak aromatic π–π stacking interactions [centroid–centroid separation = 3.9009 (10 Å] are observed.

  18. A new silver nanorod SPR probe for detection of trace benzoyl peroxide

    Science.gov (United States)

    Jiang, Zhiliang; Wen, Guiqing; Luo, Yanghe; Zhang, Xinghui; Liu, Qingye; Liang, Aihui

    2014-06-01

    The stable silver nanorod (AgNR) sol in red was prepared by the two-step procedure of NaBH4-H2O2 and citrate heating reduction. The AgNR had a transverse and a longitudinal surface plasmon resonance (SPR) absorption peak at 338 nm and 480 nm. Meanwhile, two transverse and longitudinal SPR Rayleigh scattering (SPR-RS) peaks at 340 nm and 500 nm were observed firstly using common fluorescence spectrometer. The SPR absorption, RS, surface enhanced Raman scattering (SERS) and electron microscope technology were used to study the formation mechanism of red silver nanorods and the SERS enhancement mechanism of nano-aggregation. The AgNR-BPO SPR absorption and AgNR-NaCl-BPO SPR-RS analytical systems were studied to develop two new simple, rapid, and low-cost SPR methods for the detection of trace BPO.

  19. Synthesis, Cytotoxic and Antimalarial Activities of Benzoyl Thiosemicarbazone Analogs of Isoquinoline and Related Compounds

    Directory of Open Access Journals (Sweden)

    Somsak Ruchirawat

    2010-02-01

    Full Text Available Thiosemicarbazone analogs of papaveraldine and related compounds 1–6 were synthesized and evaluated for cytotoxic and antimalarial activities. The cytotoxic activity was tested against HuCCA-1, HepG2, A549 and MOLT-3 human cancer cell lines. Thiosemicarbazones 1–5 displayed cytotoxicity toward all the tested cell lines, while compounds 2–5 selectively showed potent activity against the MOLT-3 cell lines. Significantly, N(4-phenyl-2-benzoylpyridine thiosemicarbazone 4 exhibited the most potent activity against HuCCA-1, HepG2, A549 and MOLT-3 cell lines with IC50 values of 0.03, 4.75, 0.04 and 0.004 µg/mL, respectively. In addition, 2-benzoylpyridine thio-semicarbazones 3 and 4 showed antimalarial activity against Plasmodium falciparum with IC50 of 10-7 to < 10-6 M. The study demonstrates the quite promising activity of analog 4 as a lead molecule for further development.

  20. (±)-trans-3-Benzoyl-bicyclo-[2.2.2]octane-2-carboxylic acid.

    Science.gov (United States)

    Lalancette, Roger A; Thompson, Hugh W; Brunskill, Andrew P J

    2008-01-01

    The title keto acid, C(16)H(18)O(3), displays significant twisting of all three ethyl-ene bridges in its bicyclo-[2.2.2]octane structure owing to steric inter-actions; the bridgehead-to-bridgehead torsion angles are 13.14 (12), 13.14 (13) and 9.37 (13)°. The compound crystallizes as centrosymmetric carboxyl dimers [O⋯O = 2.6513 (12) Å and O-H⋯O = 178°], which have two orientations within the cell and contain no significant carboxyl disorder. PMID:21201657

  1. Glucopyranosylidene-spiro-iminothiazolidinone, a new bicyclic ring system: synthesis, derivatization, and evaluation for inhibition of glycogen phosphorylase by enzyme kinetic and crystallographic methods.

    Science.gov (United States)

    Czifrák, Katalin; Páhi, András; Deák, Szabina; Kiss-Szikszai, Attila; Kövér, Katalin E; Docsa, Tibor; Gergely, Pál; Alexacou, Kyra-Melinda; Papakonstantinou, Maria; Leonidas, Demetres D; Zographos, Spyros E; Chrysina, Evangelia D; Somsák, László

    2014-08-01

    The reaction of thiourea with O-perbenzoylated C-(1-bromo-1-deoxy-β-D-glucopyranosyl)formamide gave the new anomeric spirocycle 1R-1,5-anhydro-D-glucitol-spiro-[1,5]-2-imino-1,3-thiazolidin-4-one. Acylation and sulfonylation with the corresponding acyl chlorides (RCOCl or RSO₂Cl where R=tBu, Ph, 4-Me-C₆H₄, 1- and 2-naphthyl) produced the corresponding 2-acylimino- and 2-sulfonylimino-thiazolidinones, respectively. Alkylation by MeI, allyl-bromide and BnBr produced mixtures of the respective N-alkylimino- and N,N'-dialkyl-imino-thiazolidinones, while reactions with 1,2-dibromoethane and 1,3-dibromopropane furnished spirocyclic 5,6-dihydro-imidazo[2,1-b]thiazolidin-3-one and 6,7-dihydro-5H-thiazolidino[3,2-a]pyrimidin-3-one, respectively. Removal of the O-benzoyl protecting groups by the Zemplén protocol led to test compounds most of which proved micromolar inhibitors of rabbit muscle glycogen phosphorylase b (RMGPb). Best inhibitors were the 2-benzoylimino- (Ki=9μM) and the 2-naphthoylimino-thiazolidinones (Ki=10 μM). Crystallographic studies of the unsubstituted spiro-thiazolidinone and the above most efficient inhibitors in complex with RMGPb confirmed the preference and inhibitory effect that aromatic (and especially 2-naphthyl) derivatives show for the catalytic site promoting the inactive conformation of the enzyme. PMID:25009003

  2. Molecular design of new hydrazone dyes for dye-sensitized solar cells: Synthesis, characterization and DFT study

    KAUST Repository

    Al-Sehemi, Abdullah G.

    2012-07-01

    Three new sensitizers 2-{4-[2-(4-Nitrobenzylidene)hydrazino)]phenyl} ethylene-1,1,2-tricarbonitrile (NBHPET), 2-{4-[2-p-Chlorobenzylidenehydrazino] phenyl}- ethylene-1,1,2-tri carbonitrile (CBHPET) and 2-{4-[2-p- Bromobenzylidenehydrazino] phenyl}ethylene-1,1,2-tricarbonitrile (BBHPET) have been synthesized. The dyes showed pronounced solvatochromic effects as the polarity of the solvents increased. The structures have been optimized at B3LYP/6-31G(d) level of theory. The torsion in E-isomer is smaller than Z-isomer and azo isomers. The highest occupied molecular orbitals are delocalized on whole molecule while lowest unoccupied molecular orbitals are distributed on the tricarbonitrile. The lowest unoccupied molecular orbital energies are above the conduction band of titanium dioxide, highest occupied molecular orbitals of the dyes are below the redox couple of new synthesized dyes and small energy gap revealed these dyes would be better sensitizers for dye-sensitized solar cells. © 2012 Elsevier B.V. All rights reserved.

  3. Synthesis and Crystal Structure of a New cis-Dioxovanadium (V) Complex with Pyruvic Acid Isonicotinyl Hydrazone (PAINH)

    Institute of Scientific and Technical Information of China (English)

    CHEN Rui-Jin; ZHOU Yin-Zhuang; HU Dai-Di; TU Shu-Jie; XIAO Ling-Mei

    2006-01-01

    A new cis-dioxovanadium (V) complex [VO2(C9H8N3O3)](C5H5N) involving a carboxyl group coordination employing a tridentate Schiff Base derived from pyruvic acid and isonicotinyl hydrazide is reported. This complex crystallizes in triclinic, space group P(1-) with a = 7.3522 (12), b = 7.8376(13), c = 14.898(2)(A), α= 84.010(2),β= 86.568(2), γ = 64.586(2)°, V = 771.1(2)(A)3, Z = 2, F(000) = 376, Mr = 368.22, Dc = 1.586 g/cm3, μ = 0.677 mm-1, R = 0.0421 and wR = 0.1253. The vanadium atom of the dioxovanadium (V) is five-coordinated to furnish a distorted trigonal bipyramid geometry.

  4. Crystal Violet Lactone Salicylaldehyde Hydrazone Zn(II) Complex: a Reversible Photochromic Material both in Solution and in Solid Matrix

    Science.gov (United States)

    Li, Kai; Li, Yuanyuan; Tao, Jing; Liu, Lu; Wang, Lili; Hou, Hongwei; Tong, Aijun

    2015-09-01

    Crystal violet lactone (CVL) is a classic halochromic dye which has been widely used as chromogenic reagent in thermochromic and piezochromic systems. In this work, a very first example of CVL-based reversible photochromic compound was developed, which showed distinct color change upon UV-visible light irradiation both in solution and in solid matrix. Moreover, metal complex of CVL salicylaldehyde hydrozone was facilely synthesized, exhibiting reversible photochromic properties with good fatigue resistance. It was served as promising solid material for photo-patterning.

  5. Crystal Violet Lactone Salicylaldehyde Hydrazone Zn(II) Complex: a Reversible Photochromic Material both in Solution and in Solid Matrix

    OpenAIRE

    Kai Li; Yuanyuan Li; Jing Tao; Lu Liu; Lili Wang; Hongwei Hou; Aijun Tong

    2015-01-01

    Crystal violet lactone (CVL) is a classic halochromic dye which has been widely used as chromogenic reagent in thermochromic and piezochromic systems. In this work, a very first example of CVL-based reversible photochromic compound was developed, which showed distinct color change upon UV-visible light irradiation both in solution and in solid matrix. Moreover, metal complex of CVL salicylaldehyde hydrozone was facilely synthesized, exhibiting reversible photochromic properties with good fati...

  6. (E)-1-Phenyl­butan-2-one (2,4-dinitro­phen­yl)hydrazone

    OpenAIRE

    Lima, Carlos F. R. A. C.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Rodriguez-Borges, José E.; Low, John Nicolson

    2009-01-01

    In the title compound, C16H16N4O4, the dihedral angle between the aromatic rings is 79.04 (8)° and an intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, weak C—H.·O and C—H..π inter­actions link the mol­ecules, forming sheets.

  7. Synthesis, magnetic and spectral studies of lanthanide(III) chloride complexes of hydrazones of isonicotinic acid hydrazide

    International Nuclear Information System (INIS)

    The synthesis, magnetic and spectral properties of trivalent lanthanide chlorides with N-isonicotinamidobenzalaldimine (INH-BENZ), N-isonicotinamidoanisalaldimine (INH-ANSL) and N-isonicotinamido-p-dimethylaminobenzalaldimine (INH-PDAB) are described. 13 refs., 2 tabs

  8. Some aromatic hydrazone derivatives as inhibitors for the corrosion of C-steel in phosphoric acid solution.

    Science.gov (United States)

    Fouda, Abd El-Aziz S; Al-Sarawy, Ahmed A; Radwan, Mohamed S

    2006-01-01

    The effect of furfural benzoylhydrazone and its derivatives (I-VII) as corrosion inhibitors for C-steel in 1M phosphoric acid solution has been studied by weight-loss and galvanostatic polarization techniques. A significant decrease in the corrosion rate of C-steel was observed in the presence of the investigated inhibitors. This study revealed that, the inhibition efficiency increases with increasing the inhibitor concentration, and the addition of iodide ions enhances it to a considerable extent. The effect of temperature on the inhibition efficiency of these compounds was studied using weight-loss method. Activation energy (E(a)*) and other thermodynamic parameters for the corrosion process were calculated and discussed. The galvanostatic polarization data indicated that, the inhibitors were of mixed-type, but the cathode is more polarized than the anode. The adsorption of these compounds on C-steel surface has been found to obey Frumkin's adsorption isotherm. The mechanism of inhibition was discussed in the light of the chemical structure of the undertaken inhibitors.

  9. Photocatalytic generation of N-centered hydrazonyl radicals: a strategy for hydroamination of β,γ-unsaturated hydrazones.

    Science.gov (United States)

    Hu, Xiao-Qiang; Chen, Jia-Rong; Wei, Qiang; Liu, Feng-Lei; Deng, Qiao-Hui; Beauchemin, André M; Xiao, Wen-Jing

    2014-11-01

    A visible-light photocatalytic generation of N-centered hydrazonyl radicals has been accomplished for the first time. This approach allows efficient intramolecular addition of hydrazonyl radical to terminal alkenes, thus providing hydroamination and oxyamination products in good yields. Importantly, the protocol involves deprotonation of an N-H bond and photocatalytic oxidation to an N-centered radical, thus obviating the need to prepare photolabile amine precursors or the stoichiometric use of oxidizing reagents. PMID:25513705

  10. Synthesis and spectroscopic studies of copper(II) and nickel(II) complexes containing hydrazonic ligands and heterocyclic coligand

    Science.gov (United States)

    Gup, Ramazan; Kırkan, Bülent

    2005-12-01

    Two types of copper(II) and nickel(II) complexes derived from benzophenone anthranoylhydrazone (L 1), 2-acetonaftanone anthranoylhydrazone (L 2), 4-phenylacetonaftonone anthranoylhydrazone (L 3), benzophenone salicyoylhydrazone (L 4), 2-acetonaftanon salicyoylhydrazone (L 5), 4-phenylacetonaftanon salicyoylhydrazone (L 6) and bidentate heterocyclic base [1,10-phenanthroline (phen)] with general stoichiometry [ML 2] and [ML(phen)]Cl have been synthesized and characterized by elemental analysis, infrared spectra, UV-vis electronic absorption spectra and magnetic susceptibility measurements. The effect of varying pH and solvent on the absorption behavior of both ligands and complexes have been investigated. According to the IR spectra, the ligands act as monobasic bidentate and coordination takes place in the enol tautomeric form.

  11. Application of 8-amino-N-(2-hydroxybenzylidene)naphthyl amine as a neutral ionophore in the construction of a lanthanum ion-selective sensor

    Energy Technology Data Exchange (ETDEWEB)

    Ganjali, M.R. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)]. E-mail: ganjali@khayam.ut.ac.ir; Norouzi, P. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Alizadeh, T. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Adib, M. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)

    2006-08-25

    In this work, a novel La(III) membrane sensor based on 8-amino-N-(2-hydroxybenzylidene)naphthylamine (AIP) is presented. This electrode reveals good selectivity for La{sup 3+} over a wide variety of lanthanides metal ions. Theoretical calculations and conductance study of AIP to lanthanum and some other metal ions were carried out and confirmed selectivity toward La(III) ions. The electrode comprises 7% AIP, 30% PVC, 61% NPOE and 2% KTpClPB. The sensor displays a linear dynamic range between 1.0 x 10{sup -7} and 1.0 x 10{sup -1} M, with a nice Nernstian slope of 20.3 {+-} 0.3 mV per decade and a detection limit of 8.0 x 10{sup -8} M. The potentiometric response is independent of pH in the range of 4.0-9.0. The proposed sensor posses the advantage of short response time, and especially, very good selectivity towards a large number of cations, such as Sm(III), Ce(III, Pr(III), Yb(III) and Hg(II), low detection limit and wide linear dynamic range in comparison with former ones. The electrode can be used for at least seven weeks without any considerable divergence in the potentials. It was used as an indicator electrode in the potentiometric titration of La(III) ions with EDTA. The sensor was applied to the determination of La(III) ions concentration in binary mixtures. It was also applied for the determination of fluoride ions in mouth wash preparations.

  12. A turn-on fluorescent anion receptor based on N,N'-di-β-naphthyl-1,10-phenanthroline-2,9-diamide

    International Nuclear Information System (INIS)

    A simple turn-on fluorescent anion chemosensor with amide moiety as binding sites was designed, synthesized and characterized. Binding ability of the receptor 1 with anions was evaluated through the fluorescence titration in DMSO and the 1H NMR titration in DMSO-d6 and coordination of anions to 1 led to a visible enhancement in fluorescence intensity. The fluorescence enhancement could be explained on the basis of two signaling transduction mechanisms: (1) inhibition of a photoinduced electronic transfer (PET) mechanism and (2) anion-induced increase of the rigidity of the host molecules. In addition, the results of 1H NMR titrations suggested that a host-guest hydrogen-bonding complex with an association constant Kass=7379 mol-1 L was formed between 1 and F- and the mode of host-guest interactions was provided

  13. Comparison of the efficacy and safety of topical clindamycin and 5% benzoyl peroxide with nadifloxacin cream and 5% benzoyl peroxide gel in the treatment of acne vulgaris and assessment of the effects of these treatments on quality of life

    OpenAIRE

    Aslıhan Kırkağaç; Zeynep Nurhan Saraçoğlu; Ayşe Esra Koku Aksu

    2015-01-01

    Background and Design: Acne vulgaris is a multifactorial chronic inflammatory disase of the pilosebaceous unit. Topical antibiotics and anti-inflammatory treatment are used for mild and moderate acne. Clindamycin is frequently used for acne treatment, altough nadifloxacin is a relatively new agent. There are few studies evaluating nadifloxacin efficacy. It's impact on quality of life has not been determined previously. In this study, it is aimed to compare the effect of these two agents, and ...

  14. (2R,3R-3-O-Benzoyl-N-benzyltartramideTartaric acid and its O-acyl derivatives. Part 13.

    Directory of Open Access Journals (Sweden)

    Izabela D. Madura

    2012-06-01

    Full Text Available The title compound, C18H17NO6 [systematic name: (2R,3R-4-benzylamino-2-benzoyloxy-3-hydroxy-4-oxobutanoic acid], is the first structurally characterized unsymmetrical monoamide–monoacyl tartaric acid derivative. The molecule shows a staggered conformation around the tartramide Csp3—Csp3 bond with trans-oriented carboxyl and amide groups. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, molecules are linked by O—H...O hydrogen bonds between the carboxyl and amide carbonyl groups, forming translational chains along [001]. Further O—H...O and N—H...O hydrogen bonds as well as weaker C—H...O and C—H...π intermolecular interactions extend the supramolecular assembly into a double-layer structure parallel to (100. There are no directional interactions between the double layers.

  15. Rapid determination and chemical change tracking of benzoyl peroxide in wheat flour by multi-step IR macro-fingerprinting

    Science.gov (United States)

    Guo, Xiao-Xi; Hu, Wei; Liu, Yuan; Sun, Su-Qin; Gu, Dong-Chen; He, Helen; Xu, Chang-Hua; Wang, Xi-Chang

    2016-02-01

    BPO is often added to wheat flour as flour improver, but its excessive use and edibility are receiving increasing concern. A multi-step IR macro-fingerprinting was employed to identify BPO in wheat flour and unveil its changes during storage. BPO contained in wheat flour (BPO all close to 0.98. By applying second derivative spectroscopy, obvious differences among wheat flour and wheat flour contained BPO before and after storage in the range of 1500-1400 cm- 1 were disclosed. The peak of 1450 cm- 1 which belonged to BPO was blue shifted to 1453 cm- 1 (1455) which belonged to benzoic acid after one week of storage, indicating that BPO changed into benzoic acid after storage. Moreover, when using two-dimensional correlation infrared spectroscopy (2DCOS-IR) to track changes of BPO in wheat flour (0.05 mg/g) within one week, intensities of auto-peaks at 1781 cm- 1 and 669 cm- 1 which belonged to BPO and benzoic acid, respectively, were changing inversely, indicating that BPO was decomposed into benzoic acid. Moreover, another autopeak at 1767 cm- 1 which does not belong to benzoic acid was also rising simultaneously. By heating perturbation treatment of BPO in wheat flour based on 2DCOS-IR and spectral subtraction analysis, it was found that BPO in wheat flour not only decomposed into benzoic acid and benzoate, but also produced other deleterious substances, e.g., benzene. This study offers a promising method with minimum pretreatment and time-saving to identify BPO in wheat flour and its chemical products during storage in a holistic manner.

  16. DESIGN AND SYNTHESIS OF 4-[2’-(5’- NITRO] IMIDAZOLYL BENZOYL (N-METHYL AMINO ACIDS AND PEPTIDES

    Directory of Open Access Journals (Sweden)

    PARAMITA DAS

    2010-06-01

    Full Text Available In the past two decades, a wide variety of bioactive peptides have been discovered. Condensation of heterocyclic moieties viz nicotinic acid, thiazole coumarin, quinolin, furan, imidazole etc. with amino acids and peptides resulted in compounds with potent biological activities. Many of the heterocyclic found to exhibit antifungal, antibacterial, cytotoxic, antineoplastic, insectisidal, antiinflammatory, anthelmintic, tyrosinase inhibitory and melanin production inhibitory activities. Metronidazole, serconidazole, flucanazole are well known marketed drugs. Introduction of D-amino acids and N-methylation of amino acids like tyrosine, valine, alanine etc enhanced antimicrobial activity. Hence an attempt is made towards the synthesis of 5-nitroimidazolyl-benzoic acid derivative of N-methylamino acids and peptide using solution phase technique of peptide synthesis. The method includes the introduction of tert-butyloxy carboxyl group (Boc to amino acids to protect the amino group forming Boc-amino acids .The protection of carboxyl group was done by converting the amino acids into corresponding methyl ester. The protected amino acids were coupled using diisopropylcarbodimide and triethylamine to get protected dipeptides. N-methylation was done by treating with methyl iodide and sodium hydride. The ester group was then removed by lithium hydroxide. The Boc(N-methyldipetide were coupled to amino acids or Boc(Nmethyl dipeptide were coupled to 4-[2-(5-nitroimidazoly]benzoic acids.

  17. Rapid determination and chemical change tracking of benzoyl peroxide in wheat flour by multi-step IR macro-fingerprinting.

    Science.gov (United States)

    Guo, Xiao-Xi; Hu, Wei; Liu, Yuan; Sun, Su-Qin; Gu, Dong-Chen; He, Helen; Xu, Chang-Hua; Wang, Xi-Chang

    2016-02-01

    BPO is often added to wheat flour as flour improver, but its excessive use and edibility are receiving increasing concern. A multi-step IR macro-fingerprinting was employed to identify BPO in wheat flour and unveil its changes during storage. BPO contained in wheat flour (BPO all close to 0.98. By applying second derivative spectroscopy, obvious differences among wheat flour and wheat flour contained BPO before and after storage in the range of 1500-1400 cm(-1) were disclosed. The peak of 1450 cm(-1) which belonged to BPO was blue shifted to 1453 cm(-1) (1455) which belonged to benzoic acid after one week of storage, indicating that BPO changed into benzoic acid after storage. Moreover, when using two-dimensional correlation infrared spectroscopy (2DCOS-IR) to track changes of BPO in wheat flour (0.05 mg/g) within one week, intensities of auto-peaks at 1781 cm(-1) and 669 cm(-1) which belonged to BPO and benzoic acid, respectively, were changing inversely, indicating that BPO was decomposed into benzoic acid. Moreover, another autopeak at 1767 cm(-1) which does not belong to benzoic acid was also rising simultaneously. By heating perturbation treatment of BPO in wheat flour based on 2DCOS-IR and spectral subtraction analysis, it was found that BPO in wheat flour not only decomposed into benzoic acid and benzoate, but also produced other deleterious substances, e.g., benzene. This study offers a promising method with minimum pretreatment and time-saving to identify BPO in wheat flour and its chemical products during storage in a holistic manner.

  18. 75 FR 9767 - Classification of Benzoyl Peroxide as Safe and Effective and Revision of Labeling to Drug Facts...

    Science.gov (United States)

    2010-03-04

    ..., resorcinol monoacetate, salicylic acid and/or sulfur to meet OTC drug labeling content and format... resorcinol, resorcinol monoacetate, salicylic acid, and/or sulfur subject to 21 CFR part 333 is March 4, 2015..., resorcinol, resorcinol monoacetate, salicylic acid, and/or sulfur be relabeled. We revised the warnings...

  19. Synthesis, Antioxidant Activity and Fluorescence Properties of Novel Europium Complexes with (E)-2- or 4-hydroxy-N'-[(2-hydroxynaphthalen-1-yl)methylene]benzohydrazide Schiff Base

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lijun [Ningxia Univ., Yinchuan (China); Alam, Mohammad Sayed [Jagannath Univ., Dhaka (Bangladesh); Lee, Dongung [Dongguk Univ., Gyeongju (Korea, Republic of)

    2012-10-15

    Two novel Eu(III) complexes with notable properties have been successfully prepared with hydrazone Schiff base ligands, (E)-2-hydroxy-N'-[(2-hydroxynaphthalen-1-yl)methylene]benzohydrazide (3a) and (E)-4-hydroxy-N'-[(2-hydroxynaphthalen-1-yl)methylene]benzohydrazide (3b). DFT, FMO energy and Mulliken charge distribution studies of the ligands allowed us to hypothesize that their HC=N, >C=O and -OH (naphthyl) groups were involved in coordinating with the Eu{sup 3+} ion. The eight coordination sites of the Eu{sup 3+} ion were occupied by the three functional groups of the two ligands (3a or 3b) mentioned above and two water molecules. Similar UV, IR and fluorescence spectra indicated the presence of comparable coordination environments for the Eu{sup 3+} ion in both complexes. Both the ligands and their complexes exhibited moderate DPPH radical scavenging activity. Moreover, it was found that the Eu(III) complexes exhibited fluorescence properties.

  20. An ESR study of the gamma radiolysis of aromatic polyesters containing isomeric naphthalene links

    International Nuclear Information System (INIS)

    Six polyesters were synthesised from 4,4'-oxy-bis(benzoyl chloride) and 1,4-, 1,5-, 1,6-, 2,3-, 2,6-, and 2,7-naphthalenediol isomers. The structures of the polyesters were characterised by means of IR, inherent viscosities in tetrachloroethane (TCE), solutions at 303 K and thermal analysis. The glass transition temperatures were in the range of 425-494 K by DSC thermal analysis. All of the polyesters were irradiated in an AECL Gammacell 220 unit at a dose rate of approximately 6.7 kGy/h to doses in the range of 0-15 kGy at 77 and 300 K. ESR spectroscopy was used to examine the radicals formed during radiolysis and to measure their yields. The G-values for radical formation in the polyesters were found to be in the range 0.18-1.41 at 77 K and 0.19-0.78 at 300 K. At 77 K, up to 15% of the radicals formed on radiolysis were found to be photo-bleachable anion radicals. Annealing experiments were carried out in order to identify the neutral radicals, which were assigned to naphthyl- or phenyl- and phenoxyl-type radicals

  1. An ESR study of the gamma radiolysis of aromatic polyesters containing isomeric naphthalene links

    Science.gov (United States)

    Hill, David J. T.; Choi, Bong-Ku; Ahn, Hung-Kun; Choi, E.-Joon

    2001-07-01

    Six polyesters were synthesised from 4,4'-oxy-bis(benzoyl chloride) and 1,4-, 1,5-, 1,6-, 2,3-, 2,6-, and 2,7-naphthalenediol isomers. The structures of the polyesters were characterised by means of IR, inherent viscosities in tetrachloroethane (TCE), solutions at 303 K and thermal analysis. The glass transition temperatures were in the range of 425-494 K by DSC thermal analysis. All of the polyesters were irradiated in an AECL Gammacell 220 unit at a dose rate of approximately 6.7 kGy/h to doses in the range of 0-15 kGy at 77 and 300 K. ESR spectroscopy was used to examine the radicals formed during radiolysis and to measure their yields. The G-values for radical formation in the polyesters were found to be in the range 0.18-1.41 at 77 K and 0.19-0.78 at 300 K. At 77 K, up to 15% of the radicals formed on radiolysis were found to be photo-bleachable anion radicals. Annealing experiments were carried out in order to identify the neutral radicals, which were assigned to naphthyl- or phenyl- and phenoxyl-type radicals.

  2. Design, Synthesis, and Initial Biological Evaluation of a Steroidal Anti-estrogen–Doxorubicin Bioconjugate for Targeting Estrogen Receptor-Positive Breast Cancer Cells

    Science.gov (United States)

    Dao, Kinh-Luan; Sawant, Rupa R.; Ronga, Victoria; Torchilin, Vladimir P.; Hanson, Robert N.

    2012-01-01

    As part of our program to develop breast cancer specific therapeutic agents we have synthesized a conjugate-agent that is a conjugate of the steroidal anti-estrogen and the potent cytotoxin doxorubicin. In this effort we employed a modular assembly approach to prepare a novel 11β-substituted steroidal anti-estrogen functionalized with an azido-tetraethylene glycol moiety which could be coupled to a complementary doxorubicin benzoyl hydrazone functionalized with a propargyl tetraethylene glycol moiety. Huisgen [3+2] cycloaddition chemistry gave the final hybrid that was evaluated for selective uptake and cytotoxicity in ER(+)-MCF-7 and ER(−)-MDA-MB-231 breast cancer cell lines. The results demonstrated that the presence of the anti-estrogenic component in the hybrid compound was critical for selectivity and cytotoxicity in ER(+)-MCF-7 human breast cancer cells as the hybrid was ~70-fold more potent than doxorubicin in inhibition of cell proliferation and promoting cell death. PMID:22404783

  3. Developing Anticancer Copper(II) Pro-drugs Based on the Nature of Cancer Cells and the Human Serum Albumin Carrier IIA Subdomain.

    Science.gov (United States)

    Gou, Yi; Qi, Jinxu; Ajayi, Joshua-Paul; Zhang, Yao; Zhou, Zuping; Wu, Xiaoyang; Yang, Feng; Liang, Hong

    2015-10-01

    To synergistically enhance the selectivity and efficiency of anticancer copper drugs, we proposed and built a model to develop anticancer copper pro-drugs based on the nature of human serum albumin (HSA) IIA subdomain and cancer cells. Three copper(II) compounds of a 2-hydroxy-1-naphthaldehyde benzoyl hydrazone Schiff-base ligand in the presence pyridine, imidazole, or indazole ligands were synthesized (C1-C3). The structures of three HSA complexes revealed that the Cu compounds bind to the hydrophobic cavity in the HSA IIA subdomain. Among them, the pyridine and imidazole ligands of C1 and C2 are replaced by Lys199, and His242 directly coordinates with Cu(II). The indazole and Br ligands of C3 are replaced by Lys199 and His242, respectively. Compared with the Cu(II) compounds alone, the HSA complexes enhance cytotoxicity in MCF-7 cells approximately 3-5-fold, but do not raise cytotoxicity levels in normal cells in vitro through selectively accumulating in cancer cells to some extent. We find that the HSA complex has a stronger capacity for cell cycle arrest in the G2/M phase of MCF-7 by targeting cyclin-dependent kinase 1 (CDK1) and down-regulating the expression of CDK1 and cyclin B1. Moreover, the HSA complex promotes MCF-7 cell apoptosis possibly through the intrinsic reactive oxygen species (ROS) mediated mitochondrial pathway, accompanied by the regulation of Bcl-2 family proteins.

  4. Synthesis, anti-inflammatory, analgesic and anticonvulsant activities of some new 4,6-dimethoxy-5-(heterocyclesbenzofuran starting from naturally occurring visnagin

    Directory of Open Access Journals (Sweden)

    E.R. El-Sawy

    2014-12-01

    Full Text Available Novel 3-(4,6-dimethoxybenzofuran-5-yl-1-phenyl-1H-pyrazole-4-carboxaldehyde (3 and 3-chloro-3-(4,6-dimethoxybenzofuran-5-ylpropenal (4 were prepared via Vilsmeier–Haack reaction of 1-(4,6-dimethoxybenzofuran-5-ylethanone (1 and its hydrazone derivative 2. Reaction of compound 4 with some hydrazine derivatives, namely hydrazine hydrate, phenylhydrazine and benzylhydrazine hydrochloride led to the formation of pyrazole derivatives 5–8, respectively. On the other hand, reaction of compound 4 with thiourea, urea or guanidine gave the pyrimidine derivatives 9–11, respectively. Reaction of amino compound 11 with acetic anhydride, benzoyl chloride and benzenesulphonyl chloride yielded N-substituted pyrimidine derivatives 12–14, respectively. Reaction of diazonium salt of compound 11 with sodium azide afforded azidopyrimidine derivative 15, which upon reaction with ethyl acetoacetate gave 1,2,3-triazole derivative 16. Acid catalyzed reaction of 11 with p-nitrobenzaldehyde gave Schiff base 17, which cyclized upon reaction with thioglycolic acid or chloroacetyl chloride to give thiazolidin-4-one 18 and azetidin-2-one 19, respectively. The newly synthesized compounds were tested for their anti-inflammatory, analgesic and anticonvulsant activities. Depending on the obtained results, the newly synthesized compounds possess significant anti-inflammatory, analgesic and anticonvulsant activities.

  5. Carbazole Hydrazone as Fluorescence Sensor for Nitrite%咔唑腙为荧光指示剂的亚硝酸根传感器

    Institute of Scientific and Technical Information of China (English)

    焦晨旭; 焦东旭

    2010-01-01

    合成了一种共轭的咔唑二聚体荧光载体9-乙基-3-咔唑亚甲基-咔唑腙(ECCH),用PVC包埋的方法可以将它固定在光纤传感器的表面,在溶液pH值为2.0时,亚硝酸根(NO-2)与过量的碘离子(I-)反应生成的碘三离子(I-3)能猝灭此ECCH光极膜的荧光.得到了可以检测NO-2的传感器,并讨论了此传感器的传感机理.传感器具有较好的稳定性、重现性和选择性,使用寿命长等优点.NO-2测定的线性范围为1.0×10-6~1.0×10-4mol·L-1;检出限为4.0 X10-7mol·L-1.将传感器用于水样中NO-2的直接测定,回收率在96.O%~103.6%.

  6. Chromium(III), manganese(III), iron(III), oxovanadium(II), zirconium(IV) and dioxouranium(II) complexes of hydrazone of isonicotinic acid hydrazide

    International Nuclear Information System (INIS)

    Coordination complexes of Cr(III), Mn(III), Fe(III), VO(II), Zr(IV) and UO2(II), with Schiff base derived from 2-hydroxy-5-methylacetophenone and isonicotinic acid hydrazide (HMAIH) have been prepared. The ligand acts as monobasic bidentate, monobasic tridentate and dibasic tridentate depending upon the reaction conditions. The thermal data have been analyzed for the activation energies by Broido's method and obey first order kinetics. The ligand and the complexes have been screened for their antimicrobial activity. (author)

  7. Cis-Dioxido-molybdenum(VI) complexes of tridentate ONO hydrazone Schiff base: Synthesis, characterization, X-ray crystal structure, DFT calculation and catalytic activity

    OpenAIRE

    Ebrahimipour, S. Yousef; Khabazadeh, , , Hojatollah; Castro, Jesús; Sheikhshoaie, Iran; Crochet, Aurelien; Fromm, Katharina M.

    2015-01-01

    Two new cis-MoO₂ [MoO₂(L)(EtOH)] (1), [MoO₂(L)(Py)] (2) [L: (3-methoxy-2oxidobenzylidene)benzohydrazidato], complexes have been synthesized and fully characterized on the basis of elemental analysis, FT-IR, molar conductivity, ¹H NMR, ¹³C NMR and electronic spectra. The structure of complexes has been accomplished by single crystal X-ray diffraction. All experimental results confirmed that both complexes have an octahedral geometry around the Mo(VI) central atom, which is coordinated by the d...

  8. Structure of enzyme-bound substrates: resonance Raman and kinetic evidence for differential enzyme-substrate contacts in N-(Pentafluoro-benzoyl)glycine dithioacyl and thioacyl papain

    Science.gov (United States)

    Lee, H.; Angus, R. H.; Storer, A. C.; Carey, P. R.

    1989-12-01

    Resonance Raman (RR) spectroscopy is used to probe the structure of the substrate in the substrate-enzyme complex N-pentafluorobenzoyl) glycine (dithioacyl) papain (C 6F 5C(=O) NHCH 2C(=S)S-papain). This system was chosen since the high electron withdrawing capacity of the C 6F 5 group markedly affects electron density of the -NH- moiety which, in turn, is known to change catalytic activity. The RR spectrum of the enzyme-substrate complex is interpreted by reference to the model compound N-(pentafluorobenzoyl) glycine ethyl dithioester (C 6F 5(CO))NHCH 2C(=S)SC 2H 5. The RR spectra of this compound in aqueous or organic solvents can be understood in terms of the known conformational states of N-acylglycine dithioesters. Comparison of model with enzyme-substrate RR spectra shows that the substrate is binding in the active site in a conformer known as conformer B characterized by a small-NHCH 2CS(thiol) torsional angle and close N-to-S (thiol) contact. Kinetic rate-structure correlations are developed involving k3, the rate constant for deacylation, and the strength of the N-to-S (thiol) interaction. N-(Pentafluorobenzoyl) glycine dithioacyl papain fits the rate-structure correlation whereas the corresponding pentafluorobenzoyl glycine thiol intermediate does not. It is proposed that the difference in the size of the CS compared to the CO group brings about a small change in the dithioacyl papain compared to the thiolacyl papain conformation such that enzyme-substrate contacts involving ortho and meta F atoms in the thiol acyl enzyme case are weakened or removed in the case of the dithioacyl papain.

  9. p-Tolyl 2-O-benzoyl-3-O-benzyl-4,6-O-benzylidene-1-thio-α-l-idopyranoside

    Directory of Open Access Journals (Sweden)

    Graeme J. Gainsford

    2010-07-01

    Full Text Available The title compound, C34H32O6S, is an ido-configured thioglycoside building block for heparan sulfate fragments. It contains disordered tolyl and O-benzyl groups with occupancy ratios of 0.539 (13:0.461 (13 and 0.613 (13:0.387 (13, respectively, as determined from a weakly diffracting crystal. The fused rings adopt chair conformations with the molecules packing into a three-dimensional network via C—H...O and three C—H...π interactions. The former interactions, occuring between molecules related by a twofold axis, define an R22(26 motif.

  10. Structure and spectroscopic properties of ruthenium(II) bipyridyl N-benzoyl-N'-(1,10-phenanthrolin-5-Yl)-thiourea

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Siew San [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Kassim, Mohammad B. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

    2015-09-25

    Ruthenium bipyridyl incorporating phenanthroline with thiourea molecules, [Ru(bpy){sub 2}(Phen-BT)](PF{sub 6}){sub 2}], has been synthesized and characterized by spectroscopic and electrochemical techniques. The infrared spectra of the complex shows the characteristics stretching frequencies for N-H at 3646 and 3585 cm{sup −1}, ν(C-N){sub phen} 1426 cm{sup −1}, ν(C=O) 1675 cm{sup −1}, ν(C=S) 1246 cm{sup −1}, ν(C-H){sub aromatic} 3353-3086 cm{sup −1}, ν(C-N){sub aliphatic} 1169-1026 cm{sup −1}, ν(C-H){sub bend} 764 cm{sup −1} and ν(PF{sub 6}{sup −}){sub free} 842 cm{sup −1}. The complex reveals two π→π* absorption bands at 237 (ε=26,302) and 286 nm (ε=36,848), which were assigned to the phenanthroline and bipyridyl moieties, respectively. A slightly broad and low energy band in the UV-vis spectrum at 450 nm (ε=7,209) of the complex was assigned to a MLCT transition. Besides, the complex also exhibits an emission band at 615 nm that arises from an excitation with a 440 nm light energy. The cyclic voltammetry of the complex shows an oxidation potential at +1.305 V vs. SCE that corresponds to the formal oxidation of Ru(II) to Ru(III)

  11. 5-Benzoyl-2-(1H-indol-3-yl-4-[4-(propan-2-ylphenyl]-4,5-dihydrofuran-3-carbonitrile

    Directory of Open Access Journals (Sweden)

    V. Rajni Swamy

    2012-12-01

    Full Text Available In the title compound, C29H24N2O2, the hydrofuran ring is twisted with puckering parameters Q = 0.1553 (16 Å and ϕ = 305.0 (6°. In the crystal, the graph-set motifs of the interaction pattern are an R22(16 motif involving dimers through N—H...N hydrogen bonds across centres of inversion and a C(6 motif through C—H...O hydrogen-bond between glide-related molecules. Together, these generate [101] ladder-like chains.

  12. Crystal structure of bis­(aceto­phenone 4-benzoyl­thio­semicarbazonato-κ2 N 1,S)nickel(II)

    Science.gov (United States)

    Kadir, Faraidoon Karim; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim

    2016-01-01

    In the asymmetric unit of the title complex, [Ni(C16H14N3OS)2], the nickel ion is tetra­coordinated in a distorted square-planar geometry by two independent mol­ecules of the ligand which act as mononegative bidentate N,S-donors and form two five-membered chelate rings. The ligands are in trans (E) conformations with respect to the C=N bonds. The close approach of hydrogen atoms to the Ni2+ atom suggests anagostic inter­actions (Ni⋯H—C) are present. The crystal structure is built up by a network of two C—H⋯O inter­actions. One of the inter­actions forms inversion dimers and the other links the mol­ecules into infinite chains parallel to [100]. In addition, a weak C—H⋯π inter­action is also present. PMID:27308036

  13. 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

    OpenAIRE

    Mistry, Rakesh N.; K. R. Desai

    2005-01-01

    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 g...

  14. 1-Benzoyl-3-[3-cyano-8-methyl-4-(1-methyl-1H-pyrrol-2-yl-5,6,7,8-tetrahydroquinolin-2-yl]thiourea

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2011-09-01

    Full Text Available In the N-substituted benzoylthiourea, C24H23N5OS, the benzoylthiourea unit is non-planar (r.m.s. deviation = 0.126 Å. The aliphatic part of the tetrahydroquinoline fused-ring system is disordered over two positions in a 0.592 (5:0.408 (5 ratio. The pyridine and pyrrole rings are twisted by 55.2 (1° in order to avoid crowding of their respective substituents. Pairs of molecules are linked by N—H...N hydrogen bonds, forming centrosymmetric dimers. Furthermore, an intramolecular N—H...O hydrogen bond stabilizes the molecular conformation.

  15. Determination of Benzoyl Peroxide in Wheat Flour Using Colorimetric Method%面粉中过氧化苯甲酰的比色测定方法

    Institute of Scientific and Technical Information of China (English)

    刘荣琴; 高磊红; 李荣芬

    2013-01-01

    利用过氧化苯甲酰(BPO)的氧化还原性质,提出了对面粉中的BPO进行测定的简易方法.采用乙醇为提取剂对面粉中BPO进行提取;使用KI为还原剂与BPO进行反应,生成的I2与淀粉指示剂反应生成蓝紫色络合物,通过比较颜色的深浅,对面粉中的BPO进行定性和半定量测定.方法的检出限为0.008 g/kg.

  16. 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl-4-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Feng-Ling Yang

    2009-01-01

    Full Text Available The asymmetric unit of the title compound, C18H14F3N3O5·H2O, contains two independent formula units. The two heterocyclic molecules differ in the orientations of the benzoylphenyl group with respect to the tetrahydropyrimidine ring [C—C—C—C torsion angles of 64.5 (3 and 67.1 (3°]. In both molecules the pyrimidine ring adopts a half-chair conformation. The molecules are linked into a two-dimensional network parallel to (001 by N—H...O and O—H...O hydrogen bonds.

  17. Rearrangement of 11-Hydroxy-11-(2-naphthyl)-3,4:8,9-dibenzobicyclo [4.4.1]undeca-3,8-diene-2,2,5,5,7,7,10,10-d_8

    OpenAIRE

    Isobe, Shin-ichiro; Thiemann, Thies; Sawada, Tsuyoshi; Yonemitsu, Tadashi; Mataka, Shuntaro

    2000-01-01

    The preparation of a novel deuterated [3.3]orthocyclophane-alcohol is described. The rearrangement of the orthocyclophane alcohol leads to a dibenzo-annelated bromomethyldecaline. The deuterium labels provide a good indication of the mechanism that is underlying this reaction.

  18. Determination of nucleosome number of β-naphthyl sulfonate formaldehyde condensate with infra-red spectrum method%红外光谱法测定β-萘磺酸盐甲醛缩合物的核体数

    Institute of Scientific and Technical Information of China (English)

    李润; 刘红彦; 张秀荣; 李泉

    2001-01-01

    研究了用红外光谱法测定β-萘磺酸盐甲醛缩合物核体数的原理和方法,对不同萘与甲醛配比下合成的β-萘磺酸盐甲醛缩合物进行核体数测定,结果显示核体数随着甲醛摩尔数增加而增加.

  19. Synthesis of 2-(6' methoxy-2'-naphthyl) Propylaldehyde Thiosemicarbazones(dl)%萘丙醛缩硫代氨基脲类外消旋体的合成

    Institute of Scientific and Technical Information of China (English)

    程石泉; 乌力吉木仁; 杨国宏; 王佩珠

    1988-01-01

    @@萘普生[(+)6'-Methoxy-2'-methyl(2-Naphthalene)acetic acid]作为一种强效的解热、抗炎、镇痛药物,属于非甾体类化合物。1968年美国Syntex公司等首先报道了它的合成方法,《医药工业》曾作了详细综述[1]。目前已用于临床,国内也已批量生产。 从五十年代起,人们就已经知道:缩氨基硫脲具有抗结核[2]、治疗麻风病[3]等作用,同时也发现它产生一些副作用[4],随后,人们又对缩氨硫脲和其他药物联合用药进行探索[5]获得良好治疗效果。据此,我们用2-(6'-甲氧基-2'-萘基)丙醛为载体,分别与羟氨、苯基氨基脲、硫代氨基脲在适当条件下缩合,制得萘丙醛羟胺[Ⅰ]、萘丙醛缩苯基氨基脲[Ⅱ]和萘丙醛缩硫代氨基脲三个新化合物,迄今为止,未见文献报道。我们用氨基脲进行多次实验,均未获得成功。上述制得产物[Ⅰ-Ⅲ],试图找到一种具有新的生理活性的新药。

  20. 1′-Methyl-4′-(1-naphthyl-3′′-(1-naphthylmethyleneacenaphthene-1-spiro-2′-pyrrolidine-3′-spiro-1′′-cyclohexane-2,2′′-dione

    Directory of Open Access Journals (Sweden)

    S. Athimoolam

    2008-01-01

    Full Text Available In the title compound, C42H33NO2, the six-membered cyclohexanone ring adopts a slightly distorted chair conformation and the five-membered pyrrolidine ring is in an envelope conformation. The molecular structure features four intramolecular C—H...O interactions and an intramolecular C—H...π interaction. Furthermore, the crystal packing is stabilized by an intermolecular C—H...O and three intermolecular C—H...π interactions.

  1. Photoinduced Electron Transfer in Host-Guest Complexes of 2-Naphthyl-(OCH2CH2)n-adamantanamines with Mono-6-O-p-nitrobenzoyl-β-cyclodextrin and Mono-6-O-m-nitrobenzoyl-β-cyclodextrin

    Institute of Scientific and Technical Information of China (English)

    吴其华; 朱满洲; 魏苏军; 刘磊; 郭庆祥

    2005-01-01

    A number of naphthalene donor compounds that possess an adamantanamine binding moiety and an (OCH2CH2)n (nn1, 2, 3, 4, 6, 8) spacer were synthesized. The fluorescence quenching between these donor substrates and mono-6-O-p-nitrobenzoyl-β-cyclodextrin (pNBCD) and mono-6-O-m-nitrobenzoyl-β-cyclodextrin(mNBCD) was studied in detail. It was found that very efficient fluorescence quenching could occur in these supramolecular systems. This quenching was attributed to the photoinduced electron transfer inside the supramolecular assembly between the naphthalene donors and cyclodextrin acceptors. Detailed Stern-Volmer constants were measured and they were partitioned into dynamic Stern-Volmer quenching constants and static binding constants. It was demonstrated that the binding constants between all the naphthalene compounds and cyclodextrins are the same as they possess the same binding site, i.e., adamantanamine.

  2. Synthesis and Curing Properties of a Novel Novolac Curing Agent Containing Naphthyl and Dicyclopentadiene Moieties%新型含萘环/环戊二烯环结构固化剂的合成及性能

    Institute of Scientific and Technical Information of China (English)

    任华; 孙建中; 吴斌杰; 周其云

    2007-01-01

    A novel novolac curing agent containing both naphthalene and dicyclopentadiene (DCPD) moieties was prepared to produce a highly heat-resistant cured polymer network. The chemical structure was characterized using Fourier transform infrared spectroscopy, nuclear magnetic resonance, mass spectrometry, and gel permeation chromatography analyses. The thermal properties of the resulting polymer from diglycidyl ether of bisphenol A epoxy resin cured with the novel curing agent were evaluated using dynamic mechanical thermal analysis and thermogravimetric analysis. Compared with the conventional curing agent, the resulting polymer cured with naphthalene/DCPD navolac shows considerable improvement in heat resistant properties such as higher glass transition temperature (Tg) and thermal stability. The result also shows better moisture resistance because of the hydrophobic nature of naphthalene/DCPD structure.

  3. Synthesis, characterization and extraction studies of some metal (II) complexes containing (hydrazoneoxime and bis-acylhydrazone) moieties

    Science.gov (United States)

    Al-Ne'aimi, Mohammed Mahmmod; Al-Khuder, Mohammed Moudar

    2013-03-01

    In this study, diacetylmonoximebenzoylhydrazone (L1H2) and 1,4-diacetylbenzene bis(benzoyl hydrazone) (L2H2) were synthesized by the condensation of benzohydrazide with diacetyl monoxime and 1,4-diacetylbenzene, respectively. Complexes of these ligands with Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) inos were prepared with a metal:ligand ratio of 1:2 for L1H2 ligand, and 1:1 for L2H2 ligand. The ligands and their complexes were elucidated on the basis of elemental analyses CHN, AAS, FT-IR, 1H- and 13C NMR spectra, UV-vis spectra and magnetic susceptibility measurements. Results show the L1H2 ligand act as monoanionic O,N,N-tridentate and coordination takes place in the enol form through the oxime nitrogen, the imine nitrogen and the enolate oxygen atoms with a N4O2 donor environment, while the L2H2 ligand act as a dianionic O,N,N,O-tetradentate and coordination takes place in the enol form through the enolate oxygen and the azomethine nitrogen atoms with a N2O2 donor environment. These results are consistent with the formation of mononuclear metal (II) complexes [M(L1H)2], and binuclear polymeric metal (II) complexes [{M2(L2)}n]. The extraction ability of both ligands were examined in chloroform by the liquid-liquid extraction of selected transition metal [Co2+, Ni2+, Cu2+, Zn2+ and Pb2+] cations. The effects of pH and contact time on the percentage extraction of metal (II) ions were studied under the optimum extraction conditions. The (L1H2) ligand shows strong binding ability toward copper(II) and lead(II) ions, while the (L2H2) ligand shows strong binding ability toward nickel(II) and zinc(II) ions.

  4. Synthesis and antitumor activity of derivatives of 23-hydroxybetulinic acid

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A series of natural product 23-hydroxybetulinic acid derivatives were prepared. In the preparation of mono-O-benzoyl ester derivative, it was observed that benzoyl group migrated from 3-O- to 23-O-position during the detritylation.

  5. 新型苯甲醛-β-咔啉-3-酰腙的合成及其除草活性%Synthesis and Herbicidal Activities of Novel Benzaldehyde-β-carboline-3-hydrazone

    Institute of Scientific and Technical Information of China (English)

    张美丹; 黄剑锋; 张晔初; 罗辉; 翁群芳; 张耀谋

    2014-01-01

    以L-色氨酸为起始原料,经Pictet-Spengle环合、酯化、氧化、氨解等反应合成了3个新型的四氢β-咔啉-3-酰腙(5a~5c)和3个新型的β咔啉-3-酰腙衍生物(8a~8c),其结构经1H NMR表征.初步除草活性测试结果表明:在用药量为200 mg·L-1时,5a~5c和8a~8c的对白菜的抑制率均为100%;随着用药量降低,活性也随之减小;5a~5c的生长抑制率普遍比8a~8c好.

  6. Synthesis and Antifungal Activity of Two Hydrazones Derived from Vanillin%两种香兰素腙类化合物的合成及抑菌活性初步研究

    Institute of Scientific and Technical Information of China (English)

    邹怀波; 周蓉; 梁辉; 南建忠

    2011-01-01

    Reactions of vanillin with phenylhydrazine and 4-nitrophenylhydrazine in methanol or acetic acid resulted in the vanillinphenylhydrazone,and vanillin-4-nitrophenylhydrazone, respectively. These products were identified by IR and 1H-NMR.And the preliminary antifungal experiments indicated that these compounds had some antifungal activity against E. coli and S. aureus.%以香兰素为原料,与苯肼和对硝基苯肼缩合得到两种香兰素腙类化合物,其结构经1H-NMR、IR表征.初步的抑菌试验表明,这些化合物对大肠杆菌(Escherichia coli)和金黄色葡萄球菌(Staphylococcus aureus)具有一定的抑菌效果.

  7. Comparison of Osazone and Hydrazone of Glucose and Fructose in Speed and Product%成脎和成腙反应速率反应产物的比较

    Institute of Scientific and Technical Information of China (English)

    索慧; 黄雪松

    2010-01-01

    为分析成脎和成腙反应的机理,用苯肼、2,4-二硝基苯肼与5%葡萄糖、果糖溶液作用,检测其反应速率,再通过质谱和薄板层析检测其反应产物.结果表明:成脎反应产物多,反应速率快,葡萄糖、果糖成脎时间分别是5.3 min、2.4 min,葡萄糖和果糖的成脎反应都发生在C1和C2位,为双取代反应,反应产物两种以上;成腙反应速率慢、产物少,2,4-二硝基苯肼与葡萄糖、果糖溶液反应成腙时间均在24 h或更长,反应分别发生C1或C2位上,为单取代反应,反应产物仅1种.分析表明:羰基试剂的空间效应和电子效应影响这两种糖的单双取代和反应速率,影响产物的数量和种类.

  8. Neuroimaging of the vesicular acetylcholine transporter by a novel 4-[{sup 18}F]fluoro-benzoyl derivative of 7-hydroxy-6-(4-phenyl-piperidin-1-yl)-octahydro-benzo[1,4]oxazines

    Energy Technology Data Exchange (ETDEWEB)

    Sorger, Dietlind [Department of Nuclear Medicine, University of Leipzig, Leipzig 04103 (Germany)], E-mail: sord@medizin.uni-leipzig.de; Scheunemann, Matthias; Vercouillie, Johnny [Institute of Interdisciplinary Isotope Research, Leipzig 04318 (Germany); Grossmann, Udo [Department of Nuclear Medicine, University of Leipzig, Leipzig 04103 (Germany); Fischer, Steffen; Hiller, Achim; Wenzel, Barbara [Institute of Interdisciplinary Isotope Research, Leipzig 04318 (Germany); Roghani, Ali [Department of Pharmacology and Neuroscience, Texas Tech University Health Sciences Center, Lubbock TX 39430 (United States); Schliebs, Reinhard [Paul Flechsig Institute of Brain Research, University of Leipzig, Leipzig 04109 (Germany); Steinbach, Joerg; Brust, Peter [Institute of Interdisciplinary Isotope Research, Leipzig 04318 (Germany); Sabri, Osama [Department of Nuclear Medicine, University of Leipzig, Leipzig 04103 (Germany)

    2009-01-15

    Phenylpiperidinyl-octahydro-benzo[1,4]oxazines represent a new class of conformationally restrained vesamicol analogues. Derived from this morpholine-fused vesamicol structure, a new fluorine-18-labeled 4-fluorobenzoyl derivative ([{sup 18}F]FBMV) was synthesized with an average specific activity of 75 GBq/{mu}mol and a radiochemical purity of 99%. The radiolabeling method included an exchange reaction of a 4-nitro group of the precursor by fluorine-18, a reduction procedure to eliminate excess of the nitro compound, followed by a high-performance liquid chromatography purification. [{sup 18}F]FBMV demonstrates (i) a moderate lipophilic character with a logD{sub pH7.0} 1.8{+-}0.10; (ii) a considerable binding affinity to the vesicular acetylcholine transporter (VAChT) (K{sub i}=27.5 nM), as determined using PC12 cells transfected with a VAChT cDNA, and a low affinity to {sigma}{sub 1,2} receptors (K{sub i} >3000 nM); (iii) a good uptake into the rat and pig brains; (iv) a typical accumulation in the VAChT-containing brain regions; and (v) an approximately 20% reduction in cortical tracer binding after a specific cholinergic lesion using 192IgG-saporin. [{sup 18}F]FBMV exhibits another PET marker within the group of vesamicol derivatives that demonstrates potentials in imaging brain cholinergic deficits, while its usefulness in clinical practice must await further investigation.

  9. Synthesis of o-[N-(Substituted benzoyl)-N-methylamino]phenyl Disulfides by the Spontaneous Coupling of N-Methyl-2-mono(substituted phenyl)benzothiazolines in Solution and Their VEGF Inhibitory Activities

    Institute of Scientific and Technical Information of China (English)

    TANG Jian; ZHANG Bei-Na; GE Mei; ZHU Li; WANG Yang; CHEN Ying; XIA Peng

    2008-01-01

    The solid N-methyl-2-mono(substituted phenyl)benzothiazolines (1) are stable and can be stored in atmosphere, whereas they present different behavior in different solvents. They are relatively stable in alcohol and DMSO-H2O. However, in other organic solvents such as acetone, CH2Cl2, CHCl3, EtOAc etc., the oxidation-coupling reactions occurred spontaneously to give the corresponding disulfide dimers 2. The substituents at 2-phenyl rings, reaction temperature and the acidities of the solutions exerted obvious impacts on the reaction rates and yields of 2. 12 sam-ples of N-methyl-2-(substituted phenyi)benzothiazolines (1) and 11 dimers 2 were evaluated in vitro vascular endo-thelial growth factor (VEGF) inhibitory activity in human breast cancer cell MDA-MB-231 with 2-methoxyestra-diol (2-ME) as the positive reference and most of them showed potent VEGF inhibitory activity with the EC50 values of sub-millimolar range. Among them, the compounds 11, li, and 2d showed potent VEGF inhibitory activities and selectivities with EC50 values of 0.07, 32 and >32, respectively, which were about 10 times of those of 2-ME (EC50=0.49 mmol/L, SI=3.37). The results further demonstrated that the scaffolds of 1 and 2 were privileged and merited further investigation as VEGF inhibitors.

  10. Biosynthesis and molecular structure characterization of polyhydroxyalkanoates containing benzoyl group%含苯聚羟基脂肪酸酯的生物合成及其分子结构表征

    Institute of Scientific and Technical Information of China (English)

    黄锦标; 尚龙安

    2011-01-01

    聚羟基脂肪酸酯(PHA)具有可生物降解性和生物相容性,是潜在的医学材料。对聚羟基脂肪酸酯进行改性,可提高其应用范围.采用以苯戊酸和蔗糖为混合碳源培养基培养Pseudomonas putida KT2442,对其细胞内合成的聚羟基脂肪酸酯进行生物改性,并利用核磁共振、红外色谱和气相色谱分析方法表征了改性的PHA分子结构。结果表明合成的聚羟基脂肪酸酯为含有3-羟基苯戊酸单体的中长链聚羟基脂肪酸酯(PHPhA),该单体在PHA链中含量为1.04%,为进一步的研究打下基础。%Polyhydroxyalkanoates(PHA)with the biodegradability and biocompatibility has become one of the potential medical materials.Its application fields can be enlarged by modifying the PHA's properties.For this purpose,the PHA was synthesized by the culture of Pseudomonas putida KT2442 with phenylvaleric acid and sucrose as mixed carbon source.The molecular structure of this biomodified PHA was characterized by NMR,IR and GC.The analysis result indicates that the biomodificated PHA is medium-length PHA which contains 3-hydroxyphenylvalerate monomer,and this monomer accounts for 1.04% of the PHA chain.This will be useful reference for further PHA study.

  11. Differentially selective chemosensor with fluorescence off-on responses on Cu(2+) and Zn(2+) ions in aqueous media and applications in pyrophosphate sensing, live cell imaging, and cytotoxicity.

    Science.gov (United States)

    Anbu, Sellamuthu; Ravishankaran, Rajendran; Guedes da Silva, M Fátima C; Karande, Anjali A; Pombeiro, Armando J L

    2014-07-01

    A new benzoyl hydrazone based chemosensor R is synthesized by Schiff base condensation of 2,6-diformyl-4-methylphenol and phenyl carbohydrazide and acts as a highly selective fluorescence sensor for Cu(2+) and Zn(2+) ions in aqueous media. The reaction of R with CuCl2 or ZnCl2 forms the corresponding dimeric dicopper(II) [Cu2(R)(CH3O)(NO3)]2(CH3O)2 (R-Cu(2+)) and dizinc(II) [Zn2(R)2](NO3)2 (R-Zn(2+)) complexes, which are characterized, as R, by conventional techniques including single-crystal X-ray analysis. Electronic absorption and fluorescence titration studies of R with different metal cations in a CH3CN/0.02 M HEPES buffer medium (pH = 7.3) show a highly selective binding affinity only toward Cu(2+)and Zn(2+) ions even in the presence of other commonly coexisting ions such as Na(+), K(+), Mg(2+), Ca(2+), Mn(2+), Fe(2+), Fe(3+), Co(2+), Ni(2+), Cd(2+), and Hg(2+). Quantification of the fluorescence titration analysis shows that the chemosensor R can indicate the presence of Cu(2+)and Zn(2+) even at very low concentrations of 17.3 and 16.5 ppb, respectively. R-Zn(2+) acts as a selective metal-based fluorescent sensor for inorganic pyrophosphate ion (PPi) even in the presence of other common anions such as F(-), Cl(-), Br(-), I(-), CH3COO(-), CO3(2-), HCO3(-), N3(-), SO4(2-), PPi, AMP, ADP, and ATP in an aqueous medium. The propensity of R as a bioimaging fluorescent probe to detect Cu(2+) and Zn(2+) ions in human cervical HeLa cancer cell lines and their cytotoxicity against human cervical (HeLa), breast cancer (MCF7), and noncancer breast epithelial (MCF10a) cells have also been investigated. R-Cu(2+) shows better cytotoxicity and sensitivity toward cancer cells over noncancer cells than R and R-Zn(2+) under identical conditions, with the appearance of apoptotic bodies.

  12. Non-specific esterases and esterproteases in masticatory muscles from the muscular dystrophic mouse

    DEFF Research Database (Denmark)

    Kirkeby, S; Moe, D; Vilmann, H

    1989-01-01

    With the aid of histochemical and electrophoretic techniques activities for esterase and esterprotease were investigated in the digastric and masseter muscles from normal and dystrophic mice. The substrates used were alpha-naphthyl acetate and N-acetyl-L-alanine alpha-naphthyl ester. According to...

  13. 5''-(4-Nitro-benzyl-idene)-7'-(4-nitro-phen-yl)-1''-methyl-1',3',5',6',7',7a'-hexa-hydro-dispiro-[ace-naphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''(1H)-dione including an unknown solvate.

    Science.gov (United States)

    Vishnupriya, R; Suresh, J; Sivakumar, S; Kumar, R Ranjith; Lakshman, P L Nilantha

    2013-01-01

    The title compound, C35H28N4O6S, crystallizes with two mol-ecules in the asymmetric unit. In both mol-ecules, the piperidine ring adopts a shallow-chair conformation, the thia-zole ring adopts a twisted conformation about the Cm-N bond (m = methine) and the pyrrole ring adopts an envelope conformation with the C atom shared with the thia-zole ring as the flap. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R 2 (2)(34) loops for one of the asymmetric mol-ecules. Further C-H⋯O links also involving the other mol-ecule lead to a three-dimesional network. The contribution of the highly disordered solvent to the scattering was removed with SQUEEZE option of PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. The solvent contribution is not included in the reported mol-ecular weight and density. PMID:24109305

  14. 新型氮杂2-β萘基苯并噁唑分子设计与光物理性质的研究%Molecular design and photophysic properties investigation of novel nitrogen heteroatom 2-beta-naphthyl-benzoxazoles

    Institute of Scientific and Technical Information of China (English)

    冯玉玲; 孙京国; 张之佩

    2002-01-01

    为了寻找新的有效光敏材料,设计了一系列新型氮杂2-β萘基苯并眂唑分子,用改进的PPP-SCF-CI方法,对设计分子的第一激发单线态、三线态、振子强度和跃迁矩等光物理性质进行了较为详细的研究.筛选出了一些新型的具有特殊光物理特性的分子,并预测了有可能产生新型氮杂2-β萘基苯并眂唑分子类光敏感功能材料的取代基部位.

  15. Effect of surface modification of Grewia optiva fibres on their physicochemical and thermal properties

    Indian Academy of Sciences (India)

    Amar S Singha; Ashvinder K Rana

    2012-12-01

    This paper deals with the surface modification of Grewia optiva fibre through benzoylation and graft copolymerization process. Benzoylation of Grewia optiva fibre has been carried out on mercerized fibre with varying concentrations of benzoyl chloride solution. Graft copolymerization of acrylonitrile (AN) onto Grewia optiva fibre was carried out with ceric ammonium nitrate as the redox initiator in aqueous medium under the influence of microwave radiation. Raw, graft copolymerized and benzoylated fibres were subjected to evaluation of some of their properties like swelling behaviour, moisture absorbance and chemical resistance behaviour. It has been observed that 5% benzoyl chloride treated and graft copolymerized Grewia optiva show more resistance towards moisture, water and chemicals when compared with that of raw fibre. Further morphological, structural changes, thermal stability and crystallinity of raw, graft copolymerized, pretreated and benzoylated fibres have also been studied by SEM, FTIR, TGA and XRD techniques.

  16. Two metabolites from Aspergillus flavipes.

    Science.gov (United States)

    Clark, A M; Hufford, C D; Robertson, L W

    1977-01-01

    Two novel fungal metabolites, N-benzoyl-L-phenylalaninol (1a) and asperphenamate (2) were isolated from the culture filtrate and mycelium of Aspergillus flavipes ATCC 11013. N-benzoyl-L-phenylalaninol was identified by direct comparison with an authentic sample. The structure of asperphenamate is proposed as (S)-N-benzoyl-phenylalanine-(S)-2-benzamido-3-phenyl propyl ester, based on chemical and spectroscopic evidence. PMID:875642

  17. Chiral Recognition for the Two Enantiomers of Phenylalanine and Four Amino Acid Derivatives with (S)-Phenylethylamine Derived Nickel(II) Macrocyclic Complex

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Jeong Jae; Ryoo, Jae Jeong [Kyungpook National Univ., Daegu (Korea, Republic of)

    2013-11-15

    The potency of new chiral selector candidate was assessed by this simple chiral discrimination test. This experiment showed that the macrocyclic molecule can be a powerful candidate as a chiral selector to obtain optically pure amino acid or amino acid derivatives, particularly phenylalanine and N-benzoyl-phenylalanine enantiomers from racemic mixtures. This study attempted to use the chiral metal organic framework (MOF), 1, as a good chiral selector candidate for the chiral discrimination of racemic phenylalanine, N-benzoyl-alanine, N-benzoyl-phenylalanine, N-benzoyl-methionine, N-CBZ-alanine. The chiral recognition ability of the chiral macromolecule, was examined by varying the molar ratio of the macromolecule and racemates.

  18. Novas N-benzoiltiraminas de Swinglea glutinosa (Rutaceae)

    OpenAIRE

    Cristovam do Nascimento Cerqueira; Djalma A. P. dos Santos; Karla da Silva Malaquias; Murilo Marinho de Castro Lima; Maria Fátima das Graças Fernandes da Silva; João Batista Fernandes; Paulo Cezar Vieira

    2012-01-01

    Phytochemical studies of the leaves and fruits have led to the identification of the known amides (E)-N-methyl-cinnamamide, N-benzoyltyramine, N-benzoyl-O-geranyltyramine, N-benzoyl-O-(4-acetoxyl)-geranyltyramine, in addition to the new N-{2-[4-(butoxyl-3-one)phenyl]ethyl}benzamide, N-{2-[4-(2,3-dihydroxy-2-methyl-butoxylanal)phenyl]ethyl}benzamide, N-{2-[4-(2,3-dihydroxy-2-methyl-butoxyloic)phenyl]ethyl}benzamide, N-benzoyl-O-(4-acetoxyl-6,7-epoxy)-geranyltyramine, N-benzoyl-O-(4-acetoxyl-6,...

  19. Peptide backbone cleavage by α-amidation is enhanced at methionine residues.

    Science.gov (United States)

    Hellwig, Michael; Löbmann, Katja; Orywol, Tom

    2015-01-01

    Cleavage reactions at backbone loci are one of the consequences of oxidation of proteins and peptides. During α-amidation, the Cα -N bond in the backbone is cleaved under formation of an N-terminal peptide amide and a C-terminal keto acyl peptide. On the basis of earlier works, a facilitation of α-amidation by the thioether group of adjacent methionine side chains was proposed. This reaction was characterized by using benzoyl methionine and benzoyl alanyl methionine as peptide models. The decomposition of benzoylated amino acids (benzoyl-methionine, benzoyl-alanine, and benzoyl-methionine sulfoxide) to benzamide in the presence of different carbohydrate compounds (reducing sugars, Amadori products, and reductones) was studied during incubation for up to 48 h at 80 °C in acetate-buffered solution (pH 6.0). Small amounts of benzamide (0.3-1.5 mol%) were formed in the presence of all sugars and from all benzoylated species. However, benzamide formation was strongly enhanced, when benzoyl methionine was incubated in the presence of reductones and Amadori compounds (3.5-4.2 mol%). The reaction was found to be intramolecular, because α-amidation of a similar 4-methylbenzoylated amino acid was not enhanced in the presence of benzoyl-methionine and carbohydrate compounds. In the peptide benzoyl-alanyl-methionine, α-amidation at the methionine residue is preferred over α-amidation at the benzoyl peptide bond. We propose here a mechanism for the enhancement of α-amidation at methionine residues.

  20. Cordyceamides A and B from the Culture Liquid of Cordyceps sinensis (BERK.) SACC.

    Science.gov (United States)

    Jia, Jing-Ming; Tao, Hai-Hua; Feng, Bao-Min

    2009-01-01

    Two new aurantiamides named as cordyceamides A and B were isolated from the culture liquid of Cordyceps sinensis (BERK.) SACC., along with one known compound, aurantiamide acetate. Their structures were elucidated as N-benzoyl-L-tyrosinyl-L-phenylalaninol acetate and N-benzoyl-L-tyrosinyl-L-p-hydroxyphenylalaninol acetate by 1D, 2D-NMR techniques and comparison with literatures. PMID:19122327

  1. Acne - self-care

    Science.gov (United States)

    ... It may help to use a wash with salicylic acid or benzoyl if your skin is oily and prone to acne. Remove all ... products may contain benzoyl peroxide, sulfur, resorcinol, or ... bacteria, drying up skin oils, or causing the top layer of your ...

  2. Novas N-benzoiltiraminas de Swinglea glutinosa (Rutaceae

    Directory of Open Access Journals (Sweden)

    Cristovam do Nascimento Cerqueira

    2012-01-01

    Full Text Available Phytochemical studies of the leaves and fruits have led to the identification of the known amides (E-N-methyl-cinnamamide, N-benzoyltyramine, N-benzoyl-O-geranyltyramine, N-benzoyl-O-(4-acetoxyl-geranyltyramine, in addition to the new N-{2-[4-(butoxyl-3-onephenyl]ethyl}benzamide, N-{2-[4-(2,3-dihydroxy-2-methyl-butoxylanalphenyl]ethyl}benzamide, N-{2-[4-(2,3-dihydroxy-2-methyl-butoxyloicphenyl]ethyl}benzamide, N-benzoyl-O-(4-acetoxyl-6,7-epoxy-geranyltyramine, N-benzoyl-O-(4-acetoxyl-6,7-dihydroxy-geranyltyramine and N-benzoyl-O-(6-acetoxyl-4,7-dihydroxy-geranyltyramine. The isolated compounds clearly point to Swinglea phytochemical affinities with other Aurantioideae species.

  3. Novel N-benzoyltyramines of Swinglea glutinosa (Rutaceae)

    International Nuclear Information System (INIS)

    Phytochemical studies of the leaves and fruits have led to the identification of the known amides (E)-N-methyl-cinnamamide, N-benzoyltyramine, N-benzoyl-O-geranyl tyramine, N-benzoyl-O-(4-acetoxyl)-geranyl tyramine, in addition to the new N-{2-[4-(butoxyl-3-one)phenyl]ethyl}benzamide, N-{2-[4-(2,3-dihydroxy-2-methyl-butoxylanal)phenyl]ethyl}benzamide, N-{2-[4-(2,3-dihydroxy-2-methyl-butoxyloic) phenyl]ethyl}benzamide, N-benzoyl-O-(4-acetoxyl-6,7-epoxy)-geranyltyramine, N-benzoyl-O-(4-acetoxyl-6,7-dihydroxy)-geranyltyramine and N-benzoyl-O-(6-acetoxyl-4,7-dihydroxy)-geranyltyramine. The isolated compounds clearly point to Swinglea phytochemical affinities with other Aurantioideae species. (author)

  4. Novel N-benzoyltyramines of Swinglea glutinosa (Rutaceae); Novas N-benzoiltiraminas de Swinglea glutinosa (Rutaceae).

    Energy Technology Data Exchange (ETDEWEB)

    Cerqueira, Cristovam do Nascimento; Santos, Djalma A.P. dos; Malaquias, Karla da Silva; Lima, Murilo Marinho de Castro; Silva, Maria Fatima das Gracas Fernandes da; Fernandes, Joao Batista; Vieira, Paulo Cezar, E-mail: dmfs@ufscar.br [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica

    2012-07-01

    Phytochemical studies of the leaves and fruits have led to the identification of the known amides (E)-N-methyl-cinnamamide, N-benzoyltyramine, N-benzoyl-O-geranyl tyramine, N-benzoyl-O-(4-acetoxyl)-geranyl tyramine, in addition to the new N-{l_brace}2-[4-(butoxyl-3-one)phenyl]ethyl{r_brace}benzamide, N-{l_brace}2-[4-(2,3-dihydroxy-2-methyl-butoxylanal)phenyl]ethyl{r_brace}benzamide, N-{l_brace}2-[4-(2,3-dihydroxy-2-methyl-butoxyloic) phenyl]ethyl{r_brace}benzamide, N-benzoyl-O-(4-acetoxyl-6,7-epoxy)-geranyltyramine, N-benzoyl-O-(4-acetoxyl-6,7-dihydroxy)-geranyltyramine and N-benzoyl-O-(6-acetoxyl-4,7-dihydroxy)-geranyltyramine. The isolated compounds clearly point to Swinglea phytochemical affinities with other Aurantioideae species. (author)

  5. A Systematic Study of the Effects of Naphthalene and Anthracene Substitution on the Properties of PPV Derivative Conjugated Systems

    OpenAIRE

    Lynch, Patrick; O'Neill, Luke; Bradley, David; Byrne, Hugh; McNamara, Mary

    2007-01-01

    The systematic synthesis of poly(phenylvinylene) (PPV) derivatives by the Wittig-Horner reaction is reported. The phenyl units of the PPV structure are methodically substituted by naphthyl and anthryl units to form a homologous series of structures. The 2,6 attachment of the vinylene linkage on the anthryl ring provides novel structures that have not been reported before due to their synthetic inaccessibility. The introduction of naphthyl units results in a hypsochromatic shift in the absorpt...

  6. Two mixed-ligand lanthanide–hydrazone complexes: [Pr(NCS3(pbh2]·H2O and [Nd(NCS(NO3(pbh2(H2O]NO3·2.33H2O [pbh is N′-(pyridin-2-ylmethylidenebenzohydrazide, C13H11N3O

    Directory of Open Access Journals (Sweden)

    Damianos G. Paschalidis

    2016-02-01

    Full Text Available The gel-mediated syntheses and crystal structures of [N′-(pyridin-2-ylmethylidene-κNbenzohydrazide-κ2N′,O]tris(thiocyanato-κNpraseodymium(III monohydrate, [Pr(NCS3(C13H11N3O2]·H2O, (I, and aqua(nitrato-κ2O,O′[N′-(pyridin-2-ylmethylidene-κNbenzohydrazide-κ2N′,O](thiocyanato-κNneodymium(III nitrate 2.33-hydrate, [Nd(NCS(NO3(C13H11N3O2(H2O]NO3·2.33H2O, (II, are reported. The Pr3+ ion in (I is coordinated by two N,N,O-tridentate N′-(pyridin-2-ylmethylidenebenzohydrazide (pbh ligands and three N-bonded thiocyanate ions to generate an irregular PrN7O2 coordination polyhedron. The Nd3+ ion in (II is coordinated by two N,N,O-tridentate pbh ligands, an N-bonded thiocyanate ion, a bidentate nitrate ion and a water molecule to generate a distorted NdN5O5 bicapped square antiprism. The crystal structures of (I and (II feature numerous hydrogen bonds, which lead to the formation of three-dimensional networks in each case.

  7. Crystallographic and computational studies on 4-phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: comparison with alpha-D-glucose, N-acetyl-beta-D-glucopyranosylamine and N-benzoyl-N'-beta-D-glucopyranosyl urea binding.

    Science.gov (United States)

    Alexacou, Kyra-Melinda; Hayes, Joseph M; Tiraidis, Costas; Zographos, Spyros E; Leonidas, Demetres D; Chrysina, Evangelia D; Archontis, Georgios; Oikonomakos, Nikos G; Paul, Jashuva V; Varghese, Babu; Loganathan, Duraikkannu

    2008-05-15

    4-Phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide (glucosyltriazolylacetamide) has been studied in kinetic and crystallographic experiments with glycogen phosphorylase b (GPb), in an effort to utilize its potential as a lead for the design of potent antihyperglycaemic agents. Docking and molecular dynamics (MD) calculations have been used to monitor more closely the binding modes in operation and compare the results with experiment. Kinetic experiments in the direction of glycogen synthesis showed that glucosyltriazolylacetamide is a better inhibitor (K(i) = 0.18 mM) than the parent compound alpha-D-glucose (K(i) = 1.7 mM) or beta-D-glucose (K(i) = 7.4 mM) but less potent inhibitor than the lead compound N-acetyl-beta-D-glucopyranosylamine (K(i) = 32 microM). To elucidate the molecular basis underlying the inhibition of the newly identified compound, we determined the structure of GPb in complex with glucosyltriazolylacetamide at 100 K to 1.88 A resolution, and the structure of the compound in the free form. Glucosyltriazolylacetamide is accommodated in the catalytic site of the enzyme and the glucopyranose interacts in a manner similar to that observed in the GPb-alpha-D-glucose complex, while the substituent group in the beta-position of the C1 atom makes additional hydrogen bonding and van der Waals interactions to the protein. A bifurcated donor type hydrogen bonding involving O3H, N3, and N4 is seen as an important structural motif strengthening the binding of glucosyltriazolylacetamide with GP which necessitated change in the torsion about C8-N2 bond by about 62 degrees going from its free to the complex form with GPb. On binding to GP, glucosyltriazolylacetamide induces significant conformational changes in the vicinity of this site. Specifically, the 280s loop (residues 282-288) shifts 0.7 to 3.1 A (CA atoms) to accommodate glucosyltriazolylacetamide. These conformational changes do not lead to increased contacts between the inhibitor and the protein that would improve ligand binding compared with the lead compound. In the molecular modeling calculations, the GOLD docking runs with and without the crystallographic ordered cavity waters using the GoldScore scoring function, and without cavity waters using the ChemScore scoring function successfully reproduced the crystallographic binding conformation. However, the GLIDE docking calculations both with (GLIDE XP) and without (GLIDE SP and XP) the cavity water molecules were, impressively, further able to accurately reproduce the finer details of the GPb-glucosyltriazolylacetamide complex structure. The importance of cavity waters in flexible receptor MD calculations compared to "rigid" (docking) is analyzed and highlighted, while in the MD itself very little conformational flexibility of the glucosyltriazolylacetamide ligand was observed over the time scale of the simulations. PMID:18041758

  8. Quantitative analysis of typical anhydro-sugars obtained during pyrolysis of cellulose based on benzoylation%基于苯甲酰化的纤维素热解过程中典型脱水糖的定量分析

    Institute of Scientific and Technical Information of China (English)

    王阳; 龚勋; 冷尔唯; 张彪; 何剑青; 徐明厚

    2016-01-01

    A derivation method based on bezoylation was applied to quantitative analysis of three typical anhydro-sugars obtained from pyrolysis of cellulose on a fixed bed reactor. The experimental results showed that this precolumn HPLC derivatization was proved to be an efficient and accurate method for the rapid determination of anhydro-sugars. Cellobiosan and cellotriosan may be producedvia thermal cleavage of glycosidic bonds during cellulose pyrolysis rather than secondary polymerization of the levoglucosan. The higher DPs anhydro-sugars had less thermal stability and they were more susceptible to decomposition at the higher temperature.%在固定床中对纤维素进行低温热解实验,采用苯甲酰化的方法,对收集的3种典型的脱水糖进行了深入研究。实验结果表明,基于苯甲酰化的HPLC-UV检测方法是一种快速、有效的糖类物质检测分析方法,满足纤维素热解产物中脱水糖的定量分析研究。纤维二聚糖和纤维三聚糖主要是通过纤维素随机断链形成的,而并非来源于左旋葡聚糖的二次聚合反应。聚合度越高的脱水糖在热解过程中更倾向于进一步反应形成其他产物。

  9. Quinoxaline chemistry. Part 16. 4-substituted anilino and 4-substituted phenoxymethyl pyrrolo[1,2-a]quinoxalines and N-[4-(pyrrolo[1,2-a]quinoxalin-4-yl)amino and hydroxymethyl]benzoyl glutamates. Synthesis and evaluation of in vitro biological activity.

    Science.gov (United States)

    Alleca, Sergio; Corona, Paola; Loriga, Mario; Paglietti, Giuseppe; Loddo, Roberta; Mascia, Valeria; Busonera, Bernardetta; La Colla, Paolo

    2003-09-01

    Twenty eight pyrrolo[1,2-a]quinoxalines bearing at position 4 various substituents related to the moieties present in classical and non classical antifolic agents were prepared and evaluated in vitro for antiproliferative activity. In an in vitro screening performed at NCI, several compounds emerged as potent antiproliferative agents at concentrations ranging between 10 and 100 microM. Interestingly, some of these compounds proved active also against bovine and murine DHFR (Farmaco 53 (1998) 480). More recently, a compound of classical antifolate type has been reported to be a potent inhibitor of hDHFR in vitro (Farmaco 58 (2003) 51). We then synthesized new derivatives that, in our hands, were endowed with in vitro antiproliferative activities as low as 3.4 microM against a panel of cell lines derived from hematological and solid tumours. In addition, a complete screening of cytotoxicity, antiretroviral HIV-1 and antimicrobial activity has been carried out.

  10. Synthesis of 1-O-Acetyl-2,3,5-Tri-O- Benzoyl-β-D-Ribofuranose%1-O-乙酰基-2,3,5-三-O-苯甲酰基-β-D-呋喃核糖的合成

    Institute of Scientific and Technical Information of China (English)

    陈敖; 柏凤飞; 宋帅娟; 陈小琴; 陆琴亚; 黄荷香

    2009-01-01

    @@ 前言 核苷类药物是抗病毒、抗肿瘤药物研究的重点内容之一,目前已经有多个核苷类药物上市或处于各研究阶段[1].1-O-乙酰基-2,3,5-三-O-苯甲酰基-β-D-呋喃核糖(1)可以用来合成多种核苷类药物,例如Clofarabine、Azacitidine等,市场前景广阔.

  11. Synergistic Extraction of La(Ⅲ) by Mixtures of(1-Phenyl-3-methyl- 4-benzoyl)-(pyrazolone-5) and Neutral Organphosphorus Extractants%1-苯基-3-甲基-4-苯甲酰基-吡唑酮-5与中性磷(膦)萃取剂协同萃取镧(Ⅲ)

    Institute of Scientific and Technical Information of China (English)

    贾琼; 李德谦; 牛春吉

    2004-01-01

    研究了1-苯基-3-甲基- 4-苯甲酰基-吡唑酮-5(HPMBP)和中性有机磷(膦)类萃取剂Cyanex 471X(TIBPS,B)在硝酸介质中对稀土元素La(Ⅲ)的萃取,用斜率法和恒摩尔法探讨了萃取机理,确定了萃合物的组成为La(NO3)2·PMBP·B,计算了萃取平衡常数.比较了HPMBP与Cyanex 471X、Cyanex 921、Cyanex 923、Cyanex 925、DEH/EHP、P350及TBP的单独及混合体系萃取La(Ⅲ)的性能,结果表明:所有混合体系对La(Ⅲ)均有协同效应,其中HPMBP与Cyanex 923、Cyanex 921、Cyanex 925的混合体系是萃取La(Ⅲ)的有效体系.

  12. Photorelease of phosphates: Mild methods for protecting phosphate derivatives

    Directory of Open Access Journals (Sweden)

    Sanjeewa N. Senadheera

    2014-08-01

    Full Text Available We have developed a new photoremovable protecting group for caging phosphates in the near UV. Diethyl 2-(4-hydroxy-1-naphthyl-2-oxoethyl phosphate (14a quantitatively releases diethyl phosphate upon irradiation in aq MeOH or aq MeCN at 350 nm, with quantum efficiencies ranging from 0.021 to 0.067 depending on the solvent composition. The deprotection reactions originate from the triplet excited state, are robust under ambient conditions and can be carried on to 100% conversion. Similar results were found with diethyl 2-(4-methoxy-1-naphthyl-2-oxoethyl phosphate (14b, although it was significantly less efficient compared with 14a. A key step in the deprotection reaction in aq MeOH is considered to be a Favorskii rearrangement of the naphthyl ketone motif of 14a,b to naphthylacetate esters 25 and 26. Disruption of the ketone-naphthyl ring conjugation significantly shifts the photoproduct absorption away from the effective incident wavelength for decaging of 14, driving the reaction to completion. The Favorskii rearrangement does not occur in aqueous acetonitrile although diethyl phosphate is released. Other substitution patterns on the naphthyl or quinolin-5-yl core, such as the 2,6-naphthyl 10 or 8-benzyloxyquinolin-5-yl 24 platforms, also do not rearrange by aryl migration upon photolysis and, therefore, do not proceed to completion. The 2,6-naphthyl ketone platform instead remains intact whereas the quinolin-5-yl ketone fragments to a much more complex, highly absorbing reaction mixture that competes for the incident light.

  13. SYNTHESIS AND STRUCTURE-ACTIVITY STUDIES OF SUBSTITUENT 1-(O-CHLOROBENZOYL)-3-(PHENYL) THIOUREA LARVICIDES

    Institute of Scientific and Technical Information of China (English)

    陆忠娥; 孙大庆; 李凯

    1990-01-01

    In this paper, we synthesized nineteen substituent 1-(o-chloro-benzoyl)-3-(phenyl) thiourea derivatives and studied their structure activity relationship, We found that the compounds with electron-withdrawing group (F) would have higher insecticidal activity.

  14. ChinAfrica briefly introduces the latest Chinese Government regulations

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    @@ Flour Additives Banned Two food additives, benzoyl peroxide and calcium peroxide, are prohibited from flour production starting May I, according to a statement issued by China's Ministry of Health on March 1.

  15. Synthesis and Insecticidal Activity of Derivants of 3,13-Ester Mesaconitine%3,13-酯基中乌头碱衍生物的合成及其杀虫活性的研究

    Institute of Scientific and Technical Information of China (English)

    王晓东; 袁小红; 杨海君; 侯大斌; 王惠; 许源

    2009-01-01

    [Objective] The experiment aimed to explore the relations between structure of aconitine, aconitine derivatives and insecticide. [Method] The aconitine derivatives such as 3-acetyl mesaconitine, 3-propionyl mesaconitine, 3-acetyl-13-Benzoyl-mesaconitine and 3-propionyl-13-Benzoyl-mesaconitine were synthesized by mesaconitine with acetic anhydride or propionic anhydride and their insecticidal activities were also determined. [Result] When the concentration was 500 mg/L, the insecticidal activities of mesaconitine against Nilaparvata legen and Aphis were 50% and 30% respectively while the insecticidal activities of 3-acetyl mesaconitine, 3-propionyl mesaconitine, 3-acetyl-13-Benzoyl-mesaconitine and 3-propionyl-13-Benzoyl-mesaconitine against Aphis medicagini were 40%, 30%, 30% and 20% respectively at 500 mg/L. [Conclusion] After hydroxyl esterification, the insecticidal activity of mesaconitine was declined and the existence of hydroxyl at 3rd position in mesaconitine played very important influences on insecticidal activity.

  16. Tretinoin Topical

    Science.gov (United States)

    ... lotions, astringents, and perfumes); they can sting your skin, especially when you first use tretinoin.Do not use any other topical medications, especially benzoyl peroxide, salicylic acid (wart remover), and dandruff shampoos containing sulfur or ...

  17. New phenolic glycosides from the seeds of Cucurbita moschata.

    Science.gov (United States)

    Li, Fa-Sheng; Dou, De-Qiang; Xu, Liang; Chi, Xiao-Feng; Kang, Ting-Guo; Kuang, Hai-Xue

    2009-07-01

    Two new phenolic glycosides were isolated from the seeds of Cucurbita moschata. Their structures were elucidated as (2-hydroxy)phenylcarbinyl 5-O-benzoyl-beta-D-apiofuranosyl(1-->2)-beta-D-glucopyranoside (1) and 4-beta-D-(glucopyranosyl hydroxymethyl)phenyl 5-O-benzoyl-beta-D-apiofuranosyl(1-->2)-beta-D-glucopyranoside (2) on the basis of spectroscopic analysis and chemical evidence.

  18. a -Oxo Ketene Dithioacetals Chemistry-A Facile Route to the Synthesis of Fused Heterocyclic Compounds

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The fused heterocyclic compounds 2 : imidazo [1,2-a] pyridine 2a-c and pyrido [1,2-a] pyrimidine 2d were obtained from the reaction of a -cinnamoyl ketene dibenzylthio acetals 1 with diamine. When a -cinnamoyl -a '-benzoyl ketene N, N-acetals 3a-b were treated by t-BuONa/t-BuOH solution, 8- benzoyl-pyrido[1,2-a] pyrimidine 4 was produced.

  19. New iridoids from the fruits of Crescentia cujete.

    Science.gov (United States)

    Wang, Gang; Yin, Wei; Zhou, Zhong-Yu; Hsieh, Kun-Lung; Liu, Ji-Kai

    2010-09-01

    Four new 11-nor-iridoids, 6-O-p-hydroxybenzoyl-10-deoxyeucommiol (1), 6-O-benzoyl-10-deoxyeucommiol (2), 6-O-benzoyl-dihydrocatalpolgenin (a mixture of 3 and 4), as well as two known iridoids, ningpogenin (5) and 6-O-p-hydroxybenzoylaucubin (6), were isolated from the fruits of Crescentia cujete Linn. The structures of these compounds were established on the basis of spectroscopic analysis. PMID:20839124

  20. Antibody-Catalyzed Degradation of Cocaine

    Science.gov (United States)

    Landry, Donald W.; Zhao, Kang; Yang, Ginger X.-Q.; Glickman, Michael; Georgiadis, Taxiarchis M.

    1993-03-01

    Immunization with a phosphonate monoester transition-state analog of cocaine provided monoclonal antibodies capable of catalyzing the hydrolysis of the cocaine benzoyl ester group. An assay for the degradation of radiolabeled cocaine identified active enzymes. Benzoyl esterolysis yields ecgonine methyl ester and benzoic acid, fragments devoid of cocaine's stimulant activity. Passive immunization with such an artificial enzyme could provide a treatment for dependence by blunting reinforcement.

  1. Penentuan Derajat Grafting Dan Fraksi Gel Dari Polipropilena Terdegradasi Yang Difungsionalisasikan Dengan Maleat Anhidrida

    OpenAIRE

    Hidayani, Tengku Rachmi

    2011-01-01

    A research has been done about determination grafting degree and gel fraction on functionalization of degraded polypropylene with maleic anhydride. Degradation reaction is done with reactive processing technique in internal mixer on temperature 170 o C. Composition of polypropylene : benzoyl peroxide which is 90% : 10%. Grafting reaction is done on temperature 160oC. Composition of degraded polypropylene : maleic anhydride : benzoyl peroxide which is : (95%:3%:2%), (92%:6%:2%), (89%:9%:2%), (...

  2. The chemical synthesis of Leishmania donovani phosphoglycan via polycondensation of a glycobiosyl hydrogenphosphonate monomer.

    Science.gov (United States)

    Nikolaev, A V; Chudek, J A; Ferguson, M A

    1995-08-11

    A polycondensation of 2,3,6-tri-O-benzoyl-4-O-(2,3,4-tri-O-benzoyl-beta-D-galactopyranosyl)-al pha-D-mannopyranosyl hydrogenphosphonate in the presence of trimethylacetyl chloride has been used to synthesize a linear poly[beta-D-galactopyranosyl-(1-->4)-alpha-D-mannopyranosyl phosphate] representing the phosphoglycan part of the lipophosphoglycan from Leishmania donovani. PMID:7497476

  3. Lanthanide nitrates as Lewis acids in the one-pot synthesis of 1,2,4-oxadiazole derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Vale, Juliana A.; Faustino, Wagner M., E-mail: julianadqf@yahoo.com.br [Departamento de Quimica, Universidade Federal da Paraiba, Joao Pessoa, PB (Brazil); Zampieri, Davila de S.; Moran, Paulo J.S.; Rodrigues, Jose A.R. [Instituto de Quimica, Universidade Estadual de Campinas, SP (Brazil); Sa, Gilberto F. de [Departamento de Quimica Fundamental, CCEN, Universidade Federal de Pernambuco, Recife, PE (Brazil)

    2012-08-15

    In this work we report the use of lanthanide nitrates [Ln(NO{sub 3}){sub 3}] acting as catalyst in direct one pot synthesis of 3-benzoyl- and 3-acetyl-1,2,4-oxadiazoles derivatives from ketones, nitriles and nitric acid. This is the first example of one-pot synthesis of benzoyl- and acetyl 1,2,4-oxadiazoles derivatives preparation using acetophenones derivates with electron-donator groups. (author)

  4. Dual fluorescence of naphthylamines in alkaline aqueous solution

    Science.gov (United States)

    Ma, Li-Hua; Wen, Zhen-Chang; Lin, Li-Rong; Jiang, Yun-Bao

    2001-10-01

    Dual fluorescence was observed with N-(1-naphthyl)aminoacetate (1-NAA) in aqueous solution of pH 13.0 in the presence of cationic surfactants, cetyltrimethylammonium bromide (CTAB) and chloride (CTAC), below and after the critical micelle concentration (CMC). Similar dual fluorescence was also found with 1- and 2-naphthylamine (1-NA, 2-NA), N-(2-naphthyl)aminoacetate (2-NAA) and (1-naphthyl)ethylenediamine (1-NEDA), in the presence and absence of the cationic surfactants, but not with N, N-disubstituted 1- and 2-NAs. We concluded that the dual fluorescence was due to the excited-state deprotonation of the amino group in these NAs. The p Ka*s of the dual fluorescent NAs were estimated to be around 14 from the dual fluorescence pH titrations. No clear correlation was found for p Ka* with the amino substitution and the presence of cationic micelle.

  5. Syntheses and Crystal Structures of 3-Chloro-N'-(3,5-dichloro-2-hydroxybenzylidene)-benzohydrazide and Its Oxovanadium(V) Complex with Antimicrobial Activity

    Institute of Scientific and Technical Information of China (English)

    GAO Shuan-Ping

    2012-01-01

    A hydrazone compound 3-chloro-N'-(3,5-dichloro-2-hydroxybenzylidene)benzo-hydrazide(H2L) derived from the condensation of 3,5-dichlorosalicylaldehyde with 3-chloro-benzohydrazide and its oxovanadium(V) complex [VOL(CH3OH)(OCH3)] have been successfully prepared and characterized by physico-chemical methods and single-crystal X-ray diffraction.The hydrazone ligand coordinates to the V atom through the phenolate O,imine N,and enolic O atoms.The V atom is hexa-coordinated in a distorted octahedral geometry.The antimicrobial activities(MIC) of the hydrazone ligand and the oxovanadium(V) complex have been evaluated against the bacteria Staphylococcus aureus,Baccilus subtilis,Pseudomonas aeruginosa,and Escherichia coli.

  6. Ethyl 4-{1-[(2,4-dinitrophenylhydrazono]ethyl}-5-(2-naphthylmethoxymethylisoxazole-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Nicholas R. Natale

    2009-01-01

    Full Text Available The title compound, C26H23N5O8, was prepared and its structure investigated to further develop a working hypothesis for the essential binding pharmacophore for ligands of the System Xc- transporter [Patel et al. (2004. Neuropharmacology, 46, 273–284]. The hydrazone group displays an E geometry and the isoxazole double bond and C=N group of the hydrazone are in an s-cis relationship. The secondary amino NH group forms an intramolecular N—H...O hydrogen bond to a ring nitro group. There is a dihedral angle of 44.27 (5° between the isoxazole plane and the hydrazone group plane.

  7. Synthesis of some novel hydrazono acyclic nucleoside analogues

    Directory of Open Access Journals (Sweden)

    Mohammad N. Soltani Rad

    2010-05-01

    Full Text Available The syntheses of novel hydrazono acyclic nucleosides similar to miconazole scaffolds are described. In this series of acyclic nucleosides, pyrimidine as well as purine and other azole derivatives replaced the imidazole function in miconazole and the ether group was replaced with a hydrazone moiety using phenylhydrazine. To interpret the dominant formation of (E-hydrazone derivatives rather than (Z-isomers, PM3 semiempirical quantum mechanic calculations were carried out which indicated that the (E-isomers had the lower heats of formation.

  8. Eficácia da combinação tópica de peróxido de benzoíla 5% e clindamicina 1% para o tratamento da hipomelanose macular progressiva: um estudo randomizado, duplo-cego, placebo-controlado Efficacy of topical combination of benzoyl peroxide 5% and clindamycin 1% for the treatment of progressive macular hypomelanosis: a randomized, doubleblind, placebo-controlled trial

    OpenAIRE

    Jussamara Brito Santos; Olga Laura Sena Almeida; Lorena Marçal da Silva; Enio Ribeiro Maynard Barreto

    2011-01-01

    FUNDAMENTOS: A hipomelanose macular progressiva é uma dermatose sem etiologia definida. Não há consenso ou medicação de primeira linha para o seu tratamento e os tratamentos utilizados são pouco eficazes. OBJETIVO: Avaliar a eficácia terapêutica da combinação tópica de peróxido de benzoíla 5% e clindamicina 1% associada à exposição solar para o tratamento da hipomelanose macular progressiva. MATERIAIS E MÉTODOS: Trata-se de um estudo randomizado, duplo-cego, placebo-controlado, no qual os pac...

  9. (S)-2,2´-Diethoxy-1,1´-binaphthyl

    DEFF Research Database (Denmark)

    Thorup, Niels; Deussen, Heinz-Josef; Bechgaard, Klaus;

    2006-01-01

    The title molecule, C24H22O2, contains two planar naphthyl ring systems. The torsion angle around the the central C-C bond is 111.3 (2)degrees implying a transoid conformation with respect to the two ethoxy substituents. Only weak intermolecular interactions are present in the crystal structure....

  10. 8-(Dimethylamino)naphthylcopper(I), a novel stable organocopper compound with unusual structural features. A study concerning its synthesis, structure (X-ray) and reactivity. Its synthesis, crystal structure (X-ray) and reactivity

    NARCIS (Netherlands)

    Koten, G. van; Wehman, E.; Knotter, M.; Spelten, H.; Heijdenrijk, D.; Mak, A.N.S.; Stam, C.H.

    1987-01-01

    The synthesis and isolation of a hydrocarbon- and ether-insoluble organocopper compound containing the rigid 8-(dimethylamino)naphthyl group is described. An X-ray determination of its structure revealed a tetranuclear copper aggregate, in which the Cu atoms are arranged in a parallelogram (Cu...Cu

  11. Late-stage diversification of biologically active pyridazinones via a direct C-H functionalization strategy.

    Science.gov (United States)

    Li, Wei; Fan, Zhoulong; Geng, Kaijun; Xu, Youjun; Zhang, Ao

    2015-01-14

    Divergent C-H functionalization reactions (arylation, carboxylation, olefination, thiolation, acetoxylation, halogenation, naphthylation) using a pyridazinone moiety as an internal directing group were successfully established. This approach offers a late-stage, ortho-selective diversification of a biologically active pyridazinone scaffold. Seven series of novel pyridazinone analogues were synthesized conveniently as the synthetic precursors of potential sortase A (SrtA) inhibitors.

  12. Improved Performance of Organic Light-Emitting Diodes with MgF2 as the Anode Buffer Layer

    Institute of Scientific and Technical Information of China (English)

    XIE Jing; ZHANG De-Qiang; WANG Li-Duo; DUAN Lian; QIAO Juan; QIU Yong

    2006-01-01

    @@ Organic light-emitting diodes (OLEDs) based on N,N'-bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPB) and tris (8-hydroxyquinoline) aluminium (Alq3) are improved by using a thin MgF2 buffer layer sandwiched between the indium tin oxide (ITO) anode and hole transporting layer (HTL) of NPB.

  13. Multiple hydrolases in bean leaves (Phaseolus vulgaris L.) and the effect of the halo blight disease caused by Pseudomonas phaseolicola (Burkh.) Dowson.

    Science.gov (United States)

    Rudolph, K; Stahmann, M A

    1966-03-01

    Multiple forms of hydrolytic enzymes were demonstrated in extracts of healthy bean leaves (Phascolus vulgaris L.) and bean leaves infected with the halo blight organism [Pseudomonas phaseolicola (Burkh.) Dowson] by polyacrylamide disc electrophoresis. Bean leaves contained up to 4 acid phosphatase bands, 9 esterase bands active towards alpha-naphthyl acetate, and 7 esterase bands towards alpha-naphthyl butyrate. Only low or no activity was found for alkaline phosphatase, lipase, and aminopeptidase. Two artifacts are described which were observed with the lead phosphate method for acid phosphatase and the Tween method for demonstration of lipase. After infection with the halo blight organism the major acid phosphatase of the host increased during early and decreased at later infection stages. An acid phosphatase of bacterial origin with a more neutral pH optimum could be demonstrated in infected leaves. It is suggested that the bacterial acid phosphatase plays a role in uptake of metabolites by the pathogen. Several esterase bands decreased after infection. One host band with activity towards alpha-naphthyl butyrate increased. Also the pathogen showed an esterase band with high activity towards alpha-naphthyl butyrate. PMID:5906374

  14. Carboxylic ester hydrolases in mitochondria from rat skeletal muscle

    DEFF Research Database (Denmark)

    Kirkeby, S; Moe, D; Zelander, T

    1990-01-01

    A mitochondrial pellet, prepared from rat skeletal muscle, contained a number of carboxylic ester hydrolase isoenzymes. The esterases which split alpha-naphthyl acetate were organophosphate sensitive, whereas two out of three indoxyl acetate hydrolysing enzymes were resistant to both organophosph...

  15. Synthesis of [1-.sup.13C]pyruvic acid], [2-.sup.13C]pyruvic acid], [3-.sup.13C]pyruvic acid] and combinations thereof

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Rodolfo A. (Santa Fe, NM), Unkefer; Clifford J. (Los Alamos, NM), Alvarez; Marc A. (Santa Fe, NM)

    2012-06-12

    The present invention is directed to the labeled compounds, ##STR00001## wherein C* is each either .sup.13C and .sup.12C where at least one C* is .sup.13C, each hydrogen of the methylene group is hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is sulfide, sulfinyl, or sulfone, Z is an aryl group such as 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, or a phenyl group ##STR00002## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently either hydrogen, a C.sub.1-C.sub.4 lower alkyl, a halogen, and an amino group such as NH.sub.2, NHR and NRR' where R and R' are each independently either a C.sub.1-C.sub.4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms. The present invention is also directed to the labeled compounds ##STR00003##

  16. Synthesis of [1-.sup.13C]pyruvic acid], [2-.sup.13C]pyruvic acid], [3-.sup.13C]pyruvic acid] and combinations thereof

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Rodolfo A. (Santa Fe, NM); Unkefer, Clifford J. (Los Alamos, NM); Alvarez, Marc A. (Santa Fe, NM)

    2009-09-01

    The present invention is directed to labeled compounds, of the formulae ##STR00001## wherein C* is each independently selected from the group consisting of .sup.13C and .sup.12C with the proviso that at least one C* is .sup.13C, each hydrogen of the methylene group can independently be either hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is from the group of sulfide, sulfinyl, and sulfone, Z is an aryl group from the group of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure ##STR00002## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently from the group of hydrogen, a C.sub.1-C.sub.4 lower alkyl, a halogen, and an amino group from the group of NH.sub.2, NHR and NRR' where R and R' are each independently from the group of a C.sub.1-C.sub.4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms.

  17. Histochemical studies on genetical control of hormonal enzyme inducibility in the mouse. IV: Cellular localization of androgen sensitive nonspecific esterase in the epididymis

    DEFF Research Database (Denmark)

    Kirkeby, S; Blecher, S R

    1981-01-01

    Nonspecific esterase of mouse epididymis has previously been studied histochemically, using alpha naphthyl-acetate and 5-bromoindoxyl acetate techniques, as well as certain inhibitors. Epithelial cell types of the epididymis have been characterized, and certain esterase isozymes in a particular...

  18. Solistatin, an aromatic compactin analogue from Penicillium solitum

    DEFF Research Database (Denmark)

    Sørensen, Dan; Larsen, Thomas Ostenfeld; Christophersen, Carsten;

    1999-01-01

    Solistatin, (+)-(3R,5R)-7-(2'-methyl-1'-naphthyl)-3-hydroxyheptan-5-olide (1), has been isolated from Penicillium solitum. The structure and relative stereochemistry were established by NMR spectroscopy and mass spectrometry. The absolute stereochemistry was determined by chemical degradation...

  19. New ionic polyiodo benzene derivatives useful as X-ray contrast media

    International Nuclear Information System (INIS)

    New ionic polyiodo benzene derivatives are described for use as X-ray contrast media. The basic structure of these compounds has two trio-iodo-benzene nuclei and a single carboxylic group; in addition the possible structures of four different R groupings are described in detail. The general process for the preparation of these compounds by reacting an amine with an acid chloride is given. Examples of the preparation of five specific compounds are also described, i.e. (1) 2,4,5-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-N-methylcarbamoyl-5-N-methyl-N-acetylamino-benzoyl)glycylamino-benzoic acid, (2) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-N-methyl-N-acetylamino-benzoyl)glycylamino-benzoic acid, (3) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-amino-5-N-methyl-N-acetylamino-benzoyl)glycylamino-benzoic acid, (4) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-N-methylcarbamoyl-5-N-methyl-N-acetylamino-benzoyl)β-aminopropionyl-amino-benzoic acid and (5) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-amino-5-N-methylcarbamoyl-benzoyl)glycyl-N-methylamino-benzoic acid. These X-ray contrast media are in the form of aqueous solutions of pharmaceutically acceptable salts. (UK)

  20. Coordination chemistry of actinide elements: preparation of new uranium complexes with schiff bases and their characterization (Preprint No. CT-31)

    International Nuclear Information System (INIS)

    The Schiff bases, o-vanillin semicarbazone (oVSC) and 2-pyridine carboxaldehyde isonicotinoyl hydrazone (PCINH) have been prepared and their novel complexes with dioxouranium(VI) have been synthesized and characterized by IR spectra, elemental analysis and other physico-chemical techniques. (author)

  1. Synthesis and Study of Novel Coumarin Derivatives Potentially Utilizable as Memory Media

    Directory of Open Access Journals (Sweden)

    Jana Donovalová

    2009-11-01

    Full Text Available Novel coumarin derivatives, 2-oxo-2H-chromenecarbaldehyde hydrazones were prepared by reaction of substituted 2-oxo-2H-chromenecarbaldehydes with N-aminoimides in ethanol in the presence of 4-toluenesulfonic acid as catalyst. The photochromic and thermochromic properties of the prepared compounds were investigated.

  2. Synthesis and Study of Novel Coumarin Derivatives Potentially Utilizable as Memory Media

    OpenAIRE

    Jana Donovalová; Anton Gáplovský; Radoslav Flašík; Henrieta Stankovičová

    2009-01-01

    Novel coumarin derivatives, 2-oxo-2H-chromenecarbaldehyde hydrazones were prepared by reaction of substituted 2-oxo-2H-chromenecarbaldehydes with N-aminoimides in ethanol in the presence of 4-toluenesulfonic acid as catalyst. The photochromic and thermochromic properties of the prepared compounds were investigated.

  3. Synthesis of -C[double bond, length as m-dash]N- linked covalent organic frameworks via the direct condensation of acetals and amines.

    Science.gov (United States)

    Li, Zhi-Jun; Ding, San-Yuan; Xue, Hua-Dong; Cao, Wei; Wang, Wei

    2016-06-01

    We demonstrate herein a facile approach for constructing -C[double bond, length as m-dash]N- linked COFs from acetals. Three new COFs (imine-linked LZU-20, hydrazone-linked LZU-21, and azine-linked LZU-22) were synthesized by the direct condensation of dimethyl acetals and amines. All the synthesized COFs are highly crystalline and exhibit good thermal stability.

  4. Thieme Chemistry Journal Awardees - Where are They Now? Catalytic Transport with an Amine Carrier in a Fluorous Triphasic Reaction

    OpenAIRE

    Montanari, Vittorio; Yu, Marvin S.; Curran, Dennis P.

    2009-01-01

    Several aromatic aldehydes are transported by a fluorous amine from one organic phase through a fluorous phase to another organic phase. The derived imines react with phenylhydrazine to immobilize the transported product as a hydrazone and release the amine for reuse. In this way, catalytic transport is accomplished for the first time.

  5. Investigation of adsorption of isoniazid derivatives at mild steel/hydrochloric acid interface: Electrochemical and weight loss methods

    International Nuclear Information System (INIS)

    The corrosion inhibition properties of isoniazid derivatives, namely N-(morpholino methyl) isatin-3-isonicotinoyl hydrazone (MIIH), N-(piperazino methyl) isatin-3-isonicotinoyl hydrazone (PIIH), N-(2-Thio benzimidazolyl methyl) isatin-3-isonicotinoyl hydrazone (TBIH), N-(piperadino methyl) isatin-3-isonicotinoyl hydrazone (PIIIH) for mild steel corrosion in 1 M HCl medium were analysed by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization and weight loss techniques. Electrochemical impedance data demonstrated that the addition of the isoniazid derivatives in the corrosive solution decreased the charge capacitance and simultaneously increased the function of the charge/discharge of the interface, facilitating the formation of an adsorbed layer over the steel surface. Adsorption of these inhibitors on the steel surface obeyed the Langmuir adsorption isotherm. Potentiodynamic polarization studies showed that all the tested inhibitors affected both the anodic and cathodic process, thus they can be classified as mixed type of inhibitor. The effect of chemical structure of the four tested inhibitors was discussed. It was found that the efficiency order followed by molecules tested was TBIH > PIIH > MIIH > PIIIH. Thus TBIH turned out to be the best inhibitor. This fact strongly suggests that, an efficient corrosion inhibitor molecule should be large one, planar, having unoccupied d-orbital and also containing an extensive number of π-electrons.

  6. One-Step Synthesis of Sulfonamides from N-Tosylhydrazones.

    Science.gov (United States)

    Tsai, Andy S; Curto, John M; Rocke, Benjamin N; Dechert-Schmitt, Anne-Marie R; Ingle, Gajendrasingh K; Mascitti, Vincent

    2016-02-01

    The first described reaction between N-tosylhydrazone and SO2 is reported to provide alkyl sulfonamides in the presence of various amines. In this procedurally simple method, hydrazones of both unsaturated aldehydes and ketones proceed in moderate to excellent yields. Primary and secondary aliphatic amines are accommodated in this reaction, which provides a novel route to sulfonamides. PMID:26771228

  7. Cyclic single-molecule magnets: from the odd-numbered heptanuclear to a dimer of heptanuclear dysprosium clusters.

    Science.gov (United States)

    Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min

    2016-02-01

    A heptanuclear and a dimer of heptanuclear dysprosium clusters (Dy7 and Dy14) have been successfully synthesized by ingenious coalescence of the single and double pyrazinyl hydrazone as well as phosphonate ligands. The complexes feature the largest odd-numbered cyclic lanthanide clusters reported thus far. Both exhibit single molecule magnet behaviors at low temperature.

  8. Injectable In Situ Forming Hybrid Iron Oxide-Hyaluronic Acid Hydrogel for Magnetic Resonance Imaging and Drug Delivery

    NARCIS (Netherlands)

    Zhang, Y; Sun, Y.; Yang, X.; Hilborn, J.; Heerschap, A.; Ossipov, D.A.

    2014-01-01

    The development of multimodal in situ cross-linkable hyaluronic acid nanogels hybridized with iron oxide nanoparticles is reported. Utilizing a chemoselective hydrazone coupling reaction, the nanogels are converted to a macroscopic hybrid hydrogel without any additional reagent. Hydrophobic cargos r

  9. Synthesis, DNA-damaging and cytotoxic properties of novel topoisomerase II-directed bisantrene analogues.

    Science.gov (United States)

    Zagotto, G; Oliva, A; Guano, F; Menta, E; Capranico, G; Palumbo, M

    1998-01-20

    New bisantrene analogues were synthesized, bearing one or two 4,5-dihydro-1H-imidazol-2-yl hydrazone side chains at positions 1,4 or 9 of the anthracene ring system. A 10-azabioisostere was also prepared. The position of substituents in structurally isomeric drugs modulates topoisomerase II poisoning and specificity, along with cytotoxicity. PMID:9871638

  10. Directed evolution of a thermostable l-aminoacylase biocatalyst

    DEFF Research Database (Denmark)

    Parker, Brenda M.; Taylor, Ian N.; Woodley, John;

    2011-01-01

    Enzymes from extreme environments possess highly desirable traits of activity and stability for application under process conditions. One such example is l-aminoacylase (E.C. 3.5.1.14) from Thermococcus litoralis (TliACY), which catalyzes the enantioselective amide hydrolysis of N-protected l-amino...... acids, useful for resolving racemic mixtures in the preparation of chiral intermediates. Variants of this enzyme with improved activity and altered substrate preference are highly desirable. We have created a structural homology model of the enzyme and applied various two different directed evolution...... strategies to identify improved variants. Mutants P237S and F251Y were 2.4-fold more active towards N-benzoyl valine relative to the wild type at 65°C. F251 mutations to basic residues resulted in 4.5–11-fold shifts in the substrate preference towards N-benzoyl phenylalanine relative to N-benzoyl valine...

  11. Combination topical therapy in the treatment of acne.

    Science.gov (United States)

    Del Rosso, James Q

    2006-08-01

    Many medications are available for the management of acne. The armamentarium includes topical retinoids (ie, adapalene, tazarotene, tretinoin), antimicrobial and antibacterial agents (ie, benzoyl peroxide, clindamycin, erythromycin, sulfacetamide with or without sulfur), oral antibiotics (ie, doxycycline, minocycline, tetracycline), hormonal agents (ie, oral contraceptives, spironolactone), and systemic retinoids (ie, isotretinoin). Acne usually is treated with combination therapy to address its multifactorial pathophysiology. The combination of clindamycin 1%-benzoyl peroxide 5% gel, available as a stable formulation in a single tube, is efficacious and well-tolerated. The product's excipients, glycerin and dimethicone, minimize treatment-related irritation, thereby increasing patient compliance. Clindamycin-benzoyl peroxide may be well-tolerated when applied with topical retinoids, creating a more targeted and complete treatment strategy. PMID:17966494

  12. Synthesis and antitumor activity of 2-. beta. -D-ribofuranosylselenazole-4-carboxamide and related derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, P.C.; Robins, R.K.

    1983-01-01

    Treatment of 2,3,5-tri-O-benzoyl-..beta..-D-ribofuranosyl-1-carbonitrile with hydrogen selenide provided 2,5-anhydro-3,4,6-tri-O-benzoyl-D-allonselenoamide (3). Compound 3 was treated with ethyl bromopyruvate to provide ethyl 2-(2,3,5-tri-O-benzoyl-D-ribofuranosyl)selenazole-4-carboxylates, which after ammonolysis were converted to 2-..beta..-D-ribofuranosylselenazole-4-carboxamide (6) and its ..cap alpha..-analogue 7, respectively. Acetylation of nucleoside 6 provided 2-(2,3,5-tri-O-acetyl-..beta..-D-ribofuranosyl)selenazole-4-carboxamide, and phosphorylation of 6 provided the corresponding 5'-phosphate 9. Compounds 6 and 9 were found to be cytotoxic toward P388 and L1210 cells in culture and effective against Lewis lung carcinoma in mice.

  13. N-(4-Chlorophenyl-2-methylbenzamide

    Directory of Open Access Journals (Sweden)

    Hartmut Fuess

    2009-02-01

    Full Text Available In the structure of the title compound, C14H12ClNO, the N—H and C=O bonds are trans to each other. Furthermore, the C=O bond is syn to the ortho-methyl group in the benzoyl ring, similar to what is observed in 2-methyl-N-(4-methylphenylbenzamide and 2-methyl-N-phenylbenzamide. The amide linkage (–NHCO– makes dihedral angles of 36.9 (7 and 46.4 (5° with the aniline and benzoyl rings, respectively, while the dihedral angle between the benzoyl and aniline rings is 83.1 (1°. In the crystal structure, molecules form chains running along the b axis through N—H...O hydrogen bonds.

  14. Structures of new phenolic glycosides from the seeds of Cucurbita moschata.

    Science.gov (United States)

    Li, Fa-Sheng; Xu, Jing; Dou, De-Qiang; Chi, Xiao-Feng; Kang, Ting-Guo; Kuang, Hai Xue

    2009-04-01

    A new phenolic glycoside and three known compounds were isolated from the seeds of Cucurbita moschata. The structures of the new compound was elucidated as phenylcarbinyl 5-O-(4-hydroxy)benzoyl-beta-D-apiofuranosyl (1-->2)-beta-D-glucopyranoside on the basis of spectroscopic analysis and chemical evidence. Three known compounds were identified as 1-O-benzyl[5-O-benzoyl-beta-D-apiofuranosyl(1-->2)]-beta-D-glucopyranoside 2, cucurbitosides C 3 and A 4, by comparison of the spectral data with reported data. Compound 2 was isolated from this plant for the first time.

  15. Synthesis, characterization, crystal structures, and antibacterial activity of some new 1-(3,4,5-trimethoxybenzoyl)-3-aryl thioureasreas

    OpenAIRE

    Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Latif, Muhammad

    2010-01-01

    Synthesis of some novel 1-(3,4,5-trimethoxy)benzoyl-3- arylthiourea derivatives (1a-o) was accomplished in 2 steps. The synthetic route involves the reaction of 1-(3,4,5-trimethoxy)benzoyl chloride with potassium thiocyanate in 1:1 molar ratio in acetone to afford the corresponding isothiocyante followed by treatment with suitably substituted anilines. The structures of the products were established by elemental analyses, IR, 1H- and 13C-NMR, and mass spectroscopy and for 1b and 1m f...

  16. A Novel Approach to the Synthesis of 6-Amino-7-hydroxy-flavone

    Directory of Open Access Journals (Sweden)

    Tianyu Zhuang

    2004-09-01

    Full Text Available A novel approach to the synthesis of 6-amino-7-hydroxyflavone (1 is described. Reaction in acetone of 2′,4′-dihydroxy-5′-nitroacetophenone and benzoyl chloride in the presence of potassium carbonate affords 3-benzoyl-7-hydroxy-6-nitroflavone, which is cleaved in 5% ethanolic potassium hydroxide to give 1-(2,4-dihydroxy-5-nitrophenyl-3- phenyl-1,3-propanedione. The 1,3-diketone thus formed is then transformed into 7-hydroxy- 6-nitroflavone, followed by reduction to afford the title compound.

  17. Coexistence of spin-crossover and magnetic ordering in the dendrimeric Fe(III) complex

    International Nuclear Information System (INIS)

    The magnetic properties of the dendrimeric spin-crossover Fe(III) complex of formula [Fe(L)2]+PF6-, where L = 3,5-di[3,4,5-tris(tetradecyloxy) benzoyl-oxy]benzoyl-4-salicylidene-N'-ethyl-N-ethylene-diamine are reported for the first time. EPR spectroscopy shows that the compound displays a gradual spin-crossover in the temperature range (70-300 K) and undergoes an antiferromagnetic ordering below 10 K. Mossbauer spectroscopy data confirm the existence of magnetic ordering at 5 K in the Fe(III) dendrimeric complex.

  18. Chemical Constituents from Stem Bark and Roots of Clausena anisata

    Directory of Open Access Journals (Sweden)

    Etienne Dongo

    2012-11-01

    Full Text Available Phytochemical investigations on the stem bark and roots of the tropical shrub Clausena anisata led to the isolation and characterization three carbazole alkaloids: girinimbine, murrayamine-A and ekeberginine; two peptide derivatives: aurantiamide acetate and N-benzoyl-l-phenylalaninyl-N-benzoyl-l-phenylalaninate; and a mixture of two phytosterols: sitosterol and stigmasterol. The structures of these compounds were established by nuclear magnetic resonance (1H-NMR, 13C-NMR, COSY, HSQC, HMQC, HMBC and NOESY spectroscopy and electrospray ionization mass spectrometry (MS.

  19. Palladium-catalyzed N-acylation of monosubstituted ureas using near-stoichiometric carbon monoxide.

    Science.gov (United States)

    Bjerglund, Klaus; Lindhardt, Anders T; Skrydstrup, Troels

    2012-04-20

    The palladium-catalyzed carbonylation of urea derivatives with aryl iodides and bromides afforded N-benzoyl ureas (20 examples) in yields attaining quantitative via the application of near-stoichiometric amounts of carbon monoxide generated from the decarbonylation of the CO precursor, 9-methylfluorene-9-carbonyl chloride. The synthetic protocol displayed good functional group tolerance. The methodology is also highly suitable for (13)C isotope labeling, which was demonstrated through the synthesis of three benzoyl ureas, including the insecticide triflumuron, whereby (13)CO was incorporated into the core structure. PMID:22458554

  20. N-(4-Chlorophenylbenzamide

    Directory of Open Access Journals (Sweden)

    Hartmut Fuess

    2008-04-01

    Full Text Available The structure of the title compound, C13H10ClNO, resembles those of N-phenylbenzamide, N-(2-chlorophenylbenzamide and other benzanilides, with similar bond parameters. The amide group –NHCO– makes a dihedral angle of 29.95 (9° with the benzoyl ring, while the benzoyl and aniline rings form a dihedral angle of 60.76 (3°. The structure shows both intra- and intermolecular hydrogen bonding. The molecules are linked by N—H...O hydrogen bonds into chains running along the [100] direction.