Syntheses and anti-microbial evaluation of new quinoline scaffold derived pyrimidine derivatives

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Shikha S. Dave

2016-09-01

Full Text Available A series of diversely substituted chalcones derived from a quinoline scaffold, e.g. (E-3-(2-chloroquinolin-3-yl-1-(2-hydroxyphenyl prop-2-en-1-one and its pyrimidine analogues e.g. 2-[2-amino-6-(2-chloroquinolin-3-yl-5,6-dihydropyrimidin-4-yl]phenols have been prepared by condensation of 2-chloro-3-formyl quinoline with differently substituted 2-hydroxy acetophenones and further treatment with guanidine carbonate. All the newly synthesized compounds have been evaluated for their in vitro growth inhibitory activity against Escherichia coli, Pseudomonas vulgaris, Bacillus subtilis, Staphylococcus aureus, Staphylococcus typhi, Candida albicans, Aspergillus niger and Pseudomonas chrysogenum.

Synthesis, spectroscopic and catalytic properties of some new boron hybrid molecule derivatives by BF2 and BPh2 chelation

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Kilic, Ahmet; Alcay, Ferhat; Aydemir, Murat; Durgun, Mustafa; Keles, Armagan; Baysal, Akın

2015-05-01

A new series of Schiff base ligands (L1-L3) and their corresponding fluorine/phenyl boron hybrid complexes [LnBF2] and [LnBPh2] (n = 1, 2 or 3) have been synthesized and well characterized by both analytical and spectroscopic methods. The Schiff base ligands and their corresponding fluorine/phenyl boron hybrid complexes have been characterized by NMR (1H, 13C and 19F), FT-IR, UV-Vis, LC-MS, and fluorescence spectroscopy as well as melting point and elemental analysis. The fluorescence efficiencies of phenyl chelate complexes are greatly red-shifted compared to those of the fluorine chelate analogs based on the same ligands, presumably due to the large steric hindrance and hard π → π∗ transition of the diphenyl boron chelation, which can effectively prevent molecular aggregation. The boron hybrid complexes were applied to the transfer hydrogenation of acetophenone derivatives to 1-phenylethanol derivatives in the presence of 2-propanol as the hydrogen source. The catalytic studies showed that boron hybrid complexes are good catalytic precursors for transfer hydrogenation of aromatic ketones in 0.1 M iso-PrOH solution. Also, we have found that both steric and electronic factors have a significant impact on the catalytic properties of this class of molecules.

Synthesis and Biological Activity of Some 3, 5-Diarylisoxazoline Derivatives: Reaction of Substituted Chalcones with Hydroxylamine Hydrochloride

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Vandana Sharma

2010-01-01

Full Text Available A series of 3-aryl-5-styrylisoxazoline/ 3,5-diarylisoxazoline derivatives were synthesized by the reaction of appropriately substituted chalcones and hydroxylamine hydrochloride in presence of alkali in ethanol. The synthesized heterocycles have been characterized on the basis of their chemical properties and spectroscopic data. These compounds were tested for biological activity against a variety of test organisms

Structural investigations of substituted indolizine derivatives by NMR studies

International Nuclear Information System (INIS)

Furdui, Bianca; Dinica, Rodica; Demeunynck, Martine; Druta, Ioan

2008-01-01

Owing to the increasing importance of indolizine heterocycles in the field of biology and pharmacology we have synthesized and investigated the obtained heterocycles by NMR techniques. In order to investigate the substituent effects on the spectroscopic properties, a series of indolizine derivatives were studied by 1 H-NMR, 13 C-NMR and 2D NMR (GCOSY, GHMBC and GHMQC spectra). (authors)

Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

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Sureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Narayana, B.; Suma, S.

2018-03-01

Two 8-hydroxyquinoline derivatives, 5,7-dichloro-8-hydroxyquinoline (57DC8HQ) and 5-chloro-7-iodo-8-hydroxy quinoline (5CL7I8HQ) have been investigated in details by means of spectroscopic characterization and computational molecular modelling techniques. FT-IR and FT-Raman experimental spectroscopic approaches have been utilized in order to obtain detailed spectroscopic signatures of title compounds, while DFT calculations have been used in order to visualize and assign vibrations. The computed values of dipole moment, polarizability and hyperpolarizability indicate that the title molecules exhibit NLO properties. The evaluated HOMO and LUMO energies demonstrate the chemical stability of the molecules. NBO analysis is made to study the stability of the molecules arising from hyperconjugative interactions and charge delocalization. DFT calculations have been also used jointly with MD simulations in order to investigate in details global and local reactivity properties of title compounds. Also, molecular docking has been also used in order to investigate affinity of title compounds against decarboxylase inhibitor and quinoline derivatives can be a lead compounds for developing new antiparkinsonian drug.

Preparation of new biobased coatings from a triglycidyl eugenol derivative through thiol-epoxy click reaction

OpenAIRE

Guzman, Dailyn; Ramis Juan, Xavier; Fernández Francos, Xavier; de la Flor1 López, Sílvia; Serra Albet, Àngels

2018-01-01

© 2017 Elsevier B.V. A new triglycidyl eugenol derivative (3EPO-EU) was synthesized and characterized by spectroscopic techniques, and used as starting monomer in the preparation of novel bio-based thiol-epoxy thermosets. As thiols, commercially available tetrathiol derived from pentaerythritol (PETMP), a trithiol derived from eugenol (3SH-EU) and the hexathiol derived from squalene (6SH-SQ) were used in the presence of 4-(N,N-dimethylamino)pyridine as the basic catalyst. A flexible diglycidy...

Syntheses of cytotoxic novel arctigenin derivatives bearing halogen and alkyl groups on aromatic rings.

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Yamauchi, Satoshi; Wukirsari, Tuti; Ochi, Yoshiaki; Nishiwaki, Hisashi; Nishi, Kosuke; Sugahara, Takuya; Akiyama, Koichi; Kishida, Taro

2017-09-01

The new lignano-9,9'-lactones (α,β-dibenzyl-γ-butyrolactone lignans), which showed the higher cytotoxicity than arctigenin, were synthesized. The well-known cytotoxic arctigenin showed activity against HL-60 cells (EC 50 =12μM), however, it was inactive against HeLa cells (EC 50 >100μM). The synthesized (3,4-dichloro, 2'-butoxy)-derivative 55 and (3,4-dichloro, 4'-butyl)-derivative 66 bearing the lignano-9,9'-lactone structures showed the EC 50 values of 10μM and 9.4μM against HL-60 cells, respectively. Against HeLa cells, the EC 50 value of the derivative 66 was 27μM. By comparing the activities with the corresponding 9,9'-epoxy structure (tetrahydrofuran compounds), the importance of the lactone structure of 55 and 66 for the higher activities was shown. The substituents on the aromatic ring of the lignano-9,9'-lactones affected the cytotoxicity level, observing more than 10-fold difference. Copyright © 2017. Published by Elsevier Ltd.

Application of second derivative spectroscopy for increasing molecular specificity of Fourier transform infrared spectroscopic imaging of articular cartilage.

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Rieppo, L; Saarakkala, S; Närhi, T; Helminen, H J; Jurvelin, J S; Rieppo, J

2012-05-01

Fourier transform infrared (FT-IR) spectroscopic imaging is a promising method that enables the analysis of spatial distribution of biochemical components within histological sections. However, analysis of FT-IR spectroscopic data is complicated since absorption peaks often overlap with each other. Second derivative spectroscopy is a technique which enhances the separation of overlapping peaks. The objective of this study was to evaluate the specificity of the second derivative peaks for the main tissue components of articular cartilage (AC), i.e., collagen and proteoglycans (PGs). Histological bovine AC sections were measured before and after enzymatic removal of PGs. Both formalin-fixed sections (n = 10) and cryosections (n = 6) were investigated. Relative changes in the second derivative peak heights caused by the removal of PGs were calculated for both sample groups. The results showed that numerous peaks, e.g., peaks located at 1202 cm(-1) and 1336 cm(-1), altered less than 5% in the experiment. These peaks were assumed to be specific for collagen. In contrast, two peaks located at 1064 cm(-1) and 1376 cm(-1) were seen to alter notably, approximately 50% or more. These peaks were regarded to be specific for PGs. The changes were greater in cryosections than formalin-fixed sections. The results of this study suggest that the second derivative spectroscopy offers a practical and more specific method than routinely used absorption spectrum analysis methods to obtain compositional information on AC with FT-IR spectroscopic imaging. Copyright © 2012 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

Syntheses and electrochromic and fluorescence properties of three double dithienylpyrroles derivatives

International Nuclear Information System (INIS)

Wang Gang; Fu Xiangkai; Huang Jing; Wu Chuanlong; Wu Liu; Deng Jun; Du Qiuliang; Zou Xiaochuan

2011-01-01

Highlights: → Three kinds of double dithienylpyrroles derivatives have been successfully prepared by the Knorr-Paal condensation between 1,4-di(thiophen-2-yl) butane-1,4-dione and aromatic diamines. → Their polymer films were successfully synthesized via electropolymerization. → The polymer films had stable and well-defined reversible redox process, low optical band gap and multicolor electrochromic behavior. → All the monomers and polymers exhibited different intensity emission bands at different wavelengths. - Abstract: Three double dithienylpyrroles derivatives have been successfully prepared by performing a Knorr-Paal condensation between 1,4-di(thiophen-2-yl) butane-1,4-dione and various aromatic diamines. Additionally, their corresponding polymer films were synthesized via electropolymerization. Their electrochemical, spectroelectrochemical and electrochromic behaviors were further investigated by thermogravimetric analysis, scanning electron microscopy, cyclic voltammetry, UV-vis absorption and fluorescence emission spectra. Scanning electron microscopy and thermogravimetric analysis demonstrated that the polymer films possessed homogeneous, compact and smooth layer structures and thermal stabilities (up to nearly 180 deg. C). Cyclic voltammograms and UV-vis absorption spectra studies showed that the polymer films have stable, well-defined, reversible redox processes, low optical band gaps (E g < 2.2 eV) and multicolor electrochromic behaviors. Additionally, the fluorescence spectra study showed that all of the monomers and polymers exhibited different intensity emission bands at different wavelengths.

Tribology of carbide derived carbon films synthesized on tungsten carbide

Science.gov (United States)

Tlustochowicz, Marcin

Tribologically advantageous films of carbide derived carbon (CDC) have been successfully synthesized on binderless tungsten carbide manufactured using the plasma pressure compaction (P2CRTM) technology. In order to produce the CDC films, tungsten carbide samples were reacted with chlorine containing gas mixtures at temperatures ranging from 800°C to 1000°C in a sealed tube furnace. Some of the treated samples were later dechlorinated by an 800°C hydrogenation treatment. Detailed mechanical and structural characterizations of the CDC films and sliding contact surfaces were done using a series of analytical techniques and their results were correlated with the friction and wear behavior of the CDC films in various tribosystems, including CDC-steel, CDC-WC, CDC-Si3N4 and CDC-CDC. Optimum synthesis and treatment conditions were determined for use in two specific environments: moderately humid air and dry nitrogen. It was found that CDC films first synthesized at 1000°C and then hydrogen post-treated at 800°C performed best in air with friction coefficient values as low as 0.11. However, for dry nitrogen applications, no dechlorination was necessary and both hydrogenated and as-synthesized CDC films exhibited friction coefficients of approximately 0.03. A model of tribological behavior of CDC has been proposed that takes into consideration the tribo-oxidation of counterface material, the capillary forces from adsorbed water vapor, the carbon-based tribofilm formation, and the lubrication effect of both chlorine and hydrogen.

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

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Farouq E. Hawaiz

2012-01-01

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

Amino acid linked bromobenzoyl thiourea derivatives: syntheses, characterization and antimicrobial activities

International Nuclear Information System (INIS)

Raheel, A.; Din, I.U.; Badshah, A.; Rauf, M.K.; Andleeb, S.

2016-01-01

Five new bromobenzoyl thiourea derivatives (1-5) linked with different amino acids were synthesized via the reaction of bromobenzoyl chloride with potassium thiocyanide and the corresponding amines. The synthetic compounds were characterized by single crystal XRD, IR and NMR (/sup 1/H- and /sup 13/C-) spectroscopy in addition to elemental analysis and melting point determinations. These compounds were also preliminary analyzed for antifungal and antibacterial activity against different strains of fungi and bacteria, respectively. The data suggest that the compounds exhibited promising antimicrobial activity and may prove potential lead compounds as antimicrobial agent. (author)

New 1-hydroxy-1,1-bisphosphonates derived from 1H-pyrazolo[3,4-b]pyridine: synthesis and characterization

Energy Technology Data Exchange (ETDEWEB)

Teixeira, Fatima C.; Lucas, Carla; Curto, M. Joao M., E-mail: fatima.teixeira@lneg.pt [Laboratorio Nacional de Energia e Geologia, Lisboa (Portugal); Neves, M. [Instituto Superior Tecnico, Instituto Tecnologico e Nuclear (IST/ITN), Campus Tecnologico e Nuclear, Universidade Tecnica de Lisboa, Sacavem (Portugal); Duarte, M. Teresa; Andre, Vania; Teixeira, Antonio P.S. [Centro de Quimica Estrutural, Instituto Superior Tecnico, Universidade Tecnica de Lisboa (Portugal)

2013-07-15

A number of 1H-pyrazolo[3,4-b]pyridine derivatives, starting from 2-chloro-3-formyl pyridine, was synthesized to obtain new 1-hydroxybisphosphonates, a class of compounds with potential biological interest. Spectroscopic data were used to characterize all compounds and to identify N-1 and N-2 regioisomers, and mono- and bisphosphonates derivatives. X-ray diffractometry studies of compound 7a confirmed the proposed structure. (author)

Synthesis, spectroscopic characterization and pharmacological evaluation of oxazolone derivatives

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Fareed Ghulam

2013-01-01

Full Text Available A series of 4-aryl methylidene-2-phenyl/methyl-5-(4H-oxazolone derivatives (2-7 have been synthesized using the reported method by condensation of aldehydes with N-benzoyl / N-acetyl glycine in the presence of zinc oxide as a catalyst and acetic anhydride at room temperature in ethanol. The compounds (2-6 are new derivatives. The structures of compounds were evaluated on the basis of 1H-NMR, 13C-NMR, EIMS, FT-IR and elemental analysis. All the compounds were screened for their antibacterial and urease inhibition activity. Antibacterial activity was tested by agar well diffusion method using Mueller Hinton Agar medium. Compound (2 showed excellent activity against S. aureus which has 16 mm (80% inhibition and above 24 mm (70% against S. typhi. The most active compound against E. coli was compound (6 having 20 mm (80% inhibition followed by compound (5 having above 18 mm (70% inhibition. Urease inhibition activity of all the compounds was determined by indophenol method. Compounds (3, 6 and (7 showed significant inhibition against Jacks bean urease.

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

Science.gov (United States)

Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

2012-10-01

This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph2Tz) and some oligomeric derivatives. Ph2Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

First Total Syntheses and Antimicrobial Evaluation of Penicimonoterpene, a Marine-Derived Monoterpenoid, and Its Various Derivatives

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Jian-Chun Zhao

2014-06-01

Full Text Available The first total synthesis of marine-derived penicimonoterpene (±-1 has been achieved in four steps from 6-methylhept-5-en-2-one using a Reformatsky reaction as the key step to construct the basic carbon skeleton. A total of 24 new derivatives of 1 have also been designed and synthesized. Their structures were characterized by analysis of their 1H NMR, 13C NMR and HRESIMS data. Some of them showed significant antibacterial activity against Aeromonas hydrophila, Escherichia coli, Micrococcus luteus, Staphylococcus aureus, Vibrio anguillarum, V. harveyi and/or V. parahaemolyticus, and some showed activity against plant-pathogenic fungi (Alternaria brassicae, Colletotrichum gloeosporioides and/or Fusarium graminearum. Some of the derivatives exhibited antimicrobial MIC values ranging from 0.25 to 4 μg/mL, which were stronger than those of the positive control. Notably, Compounds 3b and 10 showed extremely high selectively against plant-pathogenic fungus F. graminearum (MIC 0.25 μg/mL and pathogenic bacteria E. coli (MIC 1 μg/mL, implying their potential as antimicrobial agents. SAR analysis of 1 and its derivatives indicated that modification of the carbon-carbon double bond at C-6/7, of groups on the allylic methylene unit and of the carbonyl group at C-1, effectively enhanced the antimicrobial activity.

Synthesis, spectroscopic characterization and computational chemical study of 5-cyano-2-thiouracil derivatives as potential antimicrobial agents

Science.gov (United States)

Rizk, Sameh A.; El-Naggar, Abeer M.; El-Badawy, Azza A.

2018-03-01

A series of 5-cyano-2-thiouracil derivatives, containing diverse hydrophobic groups in the 2-, 4- and 6-positions, were synthesized through one pot reaction of thiophene 2-carboxaldehyde, ethylcyanoacetate and thiourea using classic reflux-based method as well as microwave-assisted methods. Such prepared compounds were reacted with different electrophilic reagents to synthesize potent anti-microbial agents, e.g. 1,3,4-thiadiazinopyrimidine, hydrazide and triazolopyrimidine derivatives (compounds 4a-e, 9 and 10-12) respectively. The density functional theory (DFT) was then applied to explore the structural and electronic characteristics of these materials. It is found that compound 12 exhibited the highest antibacterial and antifungal activity against C. Albicans showing six-fold increasing biological affinity compared to that of Colitrimazole drug with MIC values 7.8 and 49 μg/mL, respectively. All the synthesized compounds have been characterized based on their elemental analyses and spectral data. Such compounds can be submitted to in vivo antimicrobial studies in future works.

Synthesis and Regioselective Reaction of Some Unsymmetrical Heterocyclic Chalcone Derivatives and Spiro Heterocyclic Compounds as Antibacterial Agents.

Science.gov (United States)

El-Hashash, Maher A; Rizk, Sameh A; Atta-Allah, Saad R

2015-12-10

A number of novel heterocyclic chalcone derivatives can be synthesized by thermal and microwave tools. Treatment of 4-(4-Acetylamino- and/or 4-bromo-phenyl)-4-oxobut-2-enoic acids with hydrogen peroxide in alkaline medium were afforded oxirane derivatives 2. Reaction of the epoxide 2 with 2-amino-5-aryl-1,3,4-thiadiazole derivatives yielded chalcone of imidazo[2,1-b]thiadiazole derivative 4 via two thermal routes. In one pot reaction of 4-bromoacetophenone, diethyloxalate, and 2-amino-5-aryl-1,3,4-thiadiazole derivatives in MW irradiation (W 250 and T 150 °C) under eco-friendly conditions afforded an unsuitable yield of the desired chalcone 4d. The chalcone derivatives 4 were used as a key starting material to synthesize some new spiroheterocyclic compounds via Michael and aza-Michael adducts. The chalcone 4f was similar to the aryl-oxo-vinylamide derivatives for the inhibition of tyrosine kinase and cancer cell growth. The electron-withdrawing substituents, such as halogens, and 2-amino-1,3,4-thiadiazole moeity decreasing the electron density, thereby decreasing the energy of HOMO, and the presence of imidazothiadiazole moiety should improve the antibacterial activity. Thus, the newly synthesized compounds were evaluated for their anti-bacterial activity against (ATCC 25923), (ATCC 10987), (ATCC 274,) and (SM514). The structure of the newly synthesized compounds was confirmed by elemental analysis and spectroscopic data.

Synthesis of novel carbazole derived substances using some organoboron compounds by palladium catalyzed and investigation of its semiconductor device characteristics

Science.gov (United States)

Gorgun, Kamuran; Caglar, Yasemin

2018-04-01

Carbazole compounds in particular represent one of the most intensely used and studied class of semiconducting materials. In this study, considering the information given in the literature the Ullman and Suzuki-Miyaura coupling reaction were carried out using carbazole, 1,4-dibromobenzene and pyrene-1-boronic acid. The synthesized carbazole derivatives are characterized by 1H NMR and elemental analysis. The spectroscopic and thermal properties of the synthesized novel carbazole derivative 9-(4-(pyren-4-yl)phenyl)-9H-carbazole (Cz-py) were investigated. And also, the n-Si/p-Cz:py heterojunction diode was fabricated. The electrical properties of this diode were characterized by current-voltage (I-V) and capacitance-voltage (C-V) measurements.

SYNTHESIZING DERIVATIVES FROM CYCLOPENTANONE ANALOGUE CURCUMIN AND THEIR TOXIC, ANTIOXIDANT AND ANTI-INFLAMMATORY ACTIVITIES

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Adel Zamri1

2011-11-01

Full Text Available Three types of cyclopentanone derivatives have been synthesized from aromatic aldehyde and ketone derivatives undera base condition through aldol condensation. These cyclopentanone products were 2,5-dibenzylidene-cyclopentanone(a, 2,5-bis-(4-hydroxy-benzylidene-cyclopentanone (b, and 2,5-bis-(4-hydroxy-benzylidene-cyclopentanone (cwhich has a yield of 63-99%. The chemical structure of these compounds were determined using UV, IR and NMRspectroscopy. In order to clarify the role of hydroxyl and amine moieties, toxic, antioxidant and anti-inflammatoryactivities were carried out. The toxic test indicated that the compounds showed strong toxicity. In addition, the presenceof hydroxyl and amine groups on both rings of curcumin increased the antioxidant and anti-inflammatory activities

Biology-Oriented Syntheses (BIOS) of Novel Santonic-1,3,4-oxadiazole Derivatives under Microwave-Irradiation and their Antimicrobial Activity

International Nuclear Information System (INIS)

Salar, U.; Khan, K. M.; Naz, F.; Siddiqui, N. I.

2015-01-01

Novel 2-thio substituted 1,3,4-oxadiazole derivatives of santonic acid (13-18) were synthesized. The synthesis of these derivatives was comprised of six steps which start from the basic hydrolysis of santonin 1 to the santoninic acid 2 followed by in situ rearrangement of 2 into santonic acid 3. Santonic acid 3 was then converted into its acyl imidazole derivative 4 followed by hydrazinolysis to give santonic carbohydrazide 5 which was further converted into santonic-1,3,4-oxadiazole-2-thiol 6. Santonic-1,3,4-oxadiazole-2-thiol 6 was alkylated to afford 2-thio substituted 1,3,4-oxadiazole derivatives of santonic acid (13-18). All the synthetic steps were carried out under microwave irradiation in controlled parameters. Compounds 13-18 along with intervening intermediates 5 and 6 were evaluated for their antimicrobial potential. Compound 14 showed appreciably good activity against Staphylococcus epidermidis. On the other hand compounds 6 and 17 demonstrated good activity against Escherichia coli and Shigella flexeneri, respectively. Compound 6 showed good antifungal activity. The synthesized compounds were characterized by different spectroscopy techniques. (author)

Synthesis, characterization, crystal structure and quantum chemical investigations of three novel coumarin-benzenesulfonohydrazide derivatives

Science.gov (United States)

Chethan Prathap, K. N.; Lokanath, N. K.

2018-04-01

Coumarin derivatives are an important class of heterocyclic compounds due to their physical and biological properties. Coumarin derivatives have been identified with many significant electro-optical properties and biological activities. Three novel coumarin derivatives containing benzene sulfonohydrazide group were synthesized by condensation reaction. The synthesized compounds were characterized by various spectroscopic techniques (Mass, 1H/13C NMR and FTIR). Thermal and optical properties were investigated by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and UV-Vis spectroscopic studies. Finally their structures were confirmed by single crystal X-ray diffraction (XRD) studies. The three compounds exhibit diverse intermolecular interactions, as observed by the crystal packing and Hirshfeld surface analysis. Further, their structures were optimized by density functional theory (DFT) calculations using B3LYP hybrid functionals with 6-311G+(d,p) level basis set. The Mulliken charge, molecular electrostatic potential (MEP), frontier molecular orbitals (HOMO-LUMO) were investigated. The experimentally determined parameters were compared with those calculated theoretically and they complement each other with a very good correlation. The transitions among the molecular orbitals were investigated using time-dependent density functional theory (TD-DFT) and the electronic absorption spectra obtained showed very good agreement with the experimentally measured UV-Vis spectra. Furthermore, non-linear optical (NLO) properties were investigated by calculating polarizabilities and hyperpolarizabilities. All three compounds exhibit significantly high hyperpolarizabilities compared to the reference material urea, which makes them potential candidates for NLO applications.

Influence of different amino substituents in position 1 and 4 on spectroscopic and acid base properties of 9,10-anthraquinone moiety.

Science.gov (United States)

Wcisło, Anna; Niedziałkowski, Paweł; Wnuk, Elżbieta; Zarzeczańska, Dorota; Ossowski, Tadeusz

2013-05-01

A series of novel 1-amino and 1,4-diamino-9,10-anthraquinones, substituted with different alkyl groups, were synthesized as the result of alkylation with amino substituents. All the obtained aminoanthraquinone derivatives were characterized by NMR, IR spectroscopy and mass spectrometry. The spectroscopic properties of these compounds were determined by using UV-Vis spectroscopy in acetonitrile, and in the mixture of acetonitrile and methanol at different pH ranges. The effects of various substituents present in the newly developed anthraquinone derivatives and their ability to form hydrogen bonds between the carbonyl oxygen atom of anthraquinone moiety and nitrogen atom of N-H group in 1-aminoanthraquinone (1-AAQ) and 1,4-diaminoanthraquinone (1,4-DAAQ) were studied. Additionally, the effects of hydrogen bond formation between O-H group in hydroxyethylamino substituent and the carbonyl oxygen atom of anthraquinone were investigated. The spectroscopic behavior of the studied derivatives strongly depended on the solvent-solute interactions and the nature of solvent. The values of pKa for the new anthraquinones were determined by the combined potentiometric and spectrophotometric titration methods. Copyright © 2013 Elsevier B.V. All rights reserved.

Spectroscopic investigation of Bovine Liver Catalase interactions with a novel phen-imidazole derivative of platinum.

Science.gov (United States)

Ghobadi, Roohollah; Divsalar, Adeleh; Harifi-Mood, Ali Reza; Saboury, Ali Akbar

2018-02-01

Successful clinical experience of using cisplatin and its derivatives in cancer therapy has encouraged scientists to synthesize new metal complexes with the aim of interacting with special targets such as proteins In this regard, biological effects of [Pt(FIP)(Phen)](NO 3 ) 2 compound which contains a novel phen-imidazole ligand, FIP, was investigated on bovine liver catalase (BLC) structure and function. Various spectroscopic methods such as UV-visible, fluorescence, and circular dichroism (CD) were applied at two temperatures 25 and 37°C for kinetics and structural studies. As a consequence, the enzymatic activity decreased slightly with increasing the platinum compound's concentration up to 30 μM and then remained constant at near 80% after this concentration. On the other hand, the fluorescence quenching measurements revealed that despite slight changes in activity, catalase experiences notable alterations in three-dimensional environment around the chromophores of the enzyme structure with increasing platinum complex concentration. Moreover, quenching data showed that BLC has two binding sites for Pt complex and hydrogen bonding interactions play a major role in the binding process. Furthermore, CD spectroscopy data showed that Pt(II) complex induces significant decrease in α-helix content of the secondary structure of BLC, but notable increase in random coil proportion accompanying a slight decrease in β-sheet content. All in all, hydrogen bonding interactions which are mainly involved in the binding process of the novel phen-imidazole compound to BLC significantly alter the protein structure but slightly change its function. This might be a promising outcome for chemotherapists and medicinal chemists to investigate in vivo properties of this novel metal complex with significant binding tendency to a macromolecule in the low concentrations without decreasing its intrinsic function.

Spectroscopic studies on two mono nuclear iron (III) complexes derived from a schiff base and an azodye

International Nuclear Information System (INIS)

Mini, S.; Sadasivan, V.; Meena, S. S.; Bhatt, Pramod

2014-01-01

Two new mono nuclear Fe(III) complexes of an azodye (ANSN) and a Schiff base (FAHP) are reported. The azodye is prepared by coupling diazotized 1-amino-2-naphthol-4-sulphonicacid with 2-naphthol and the Schiff base is prepared by condensing 2-amino-3-hydroxy pyridine with furfural. The complexes were synthesized by the reaction of FeCl 3 Ðœ‡2H 2 O with respective ligands. They were characterized on the basis of elemental analysis and spectral studies like IR, NMR, Electronic and M.ssbauer. Magnetic susceptibility and Molar conductance of complexes at room temperature were studied. Based on the spectroscopic evidences and other analytical data the complexes are formulated as[Fe(ANSN)Cl(H 2 O) 2 ] and [Fe(FAHP)Cl 2 (H 2 O) 2

Biological and Docking Studies of Sulfonamide Derivatives of 4-Aminophenazone

International Nuclear Information System (INIS)

Akhtar, M.S.; Ismail, A.; Murtaza, S.; Shamim, S.; Tahir, M.N.; Usman Ali Rana, U.A.

2016-01-01

Sulfonamide derivatives of 4-aminophenazone (4APZ) were synthesized and accordingly characterized by spectroscopic techniques. These newly synthesized compounds were examined for their biological activities such as enzyme inhibition, analgesic, antibacterial, antioxidant and DNA interaction. A direct correlation between enzyme inhibition activity and concentration of the compounds was observed both by experimental and molecular docking studies. Analgesic activity of the compounds was investigated by formalin-induced paw licking (FIPL), acetic acid-induced writhing (AIW) and heat conduction methods in mice. Membrane stabilization effect was determined by hypotonicity-induced hemolysis. Bacterial strains, S. aureus, S. epidermidis, B. subtilis, E. coli, P. aeruginosa, S. mutans and A. odontolyticus were used for investigating the antibacterial potential of the compounds. Antioxidant potential was investigated by Ferric Reducing Antioxidant Power assay (FRAP) and DPPH free radical scavenging method. DNA interaction studies of the synthesized compounds showed weak interaction. Hyperchromic effect was observed along the series and large positive K values were obtained for most of the compounds. (author)

Synthesis and Antidepressant Activity Profile of Some Novel Benzothiazole Derivatives

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Ümide Demir Özkay

2017-09-01

Full Text Available Within the scope of our new antidepressant drug development efforts, in this study, we synthesized eight novel benzothiazole derivatives 3a–3h. The chemical structures of the synthesized compounds were elucidated by spectroscopic methods. Test compounds were administered orally at a dose of 40 mg/kg to mice 24, 5 and 1 h before performing tail suspension, modified forced swimming, and activity cage tests. The obtained results showed that compounds 3c, 3d, 3f–3h reduced the immobility time of mice as assessed in the tail suspension test. Moreover, in the modified forced swimming tests, the same compounds significantly decreased the immobility, but increased the swimming frequencies of mice, without any alteration in the climbing frequencies. These results, similar to the results induced by the reference drug fluoxetine (20 mg/kg, po, indicated the antidepressant-like activities of the compounds 3c, 3d, 3f–3h. Owing to the fact that test compounds did not induce any significant alteration in the total number of spontaneous locomotor activities, the antidepressant-like effects of these derivatives seemed to be specific. In order to predict ADME parameters of the synthesized compounds 3a–3h, some physicochemical parameters were calculated. The ADME prediction study revealed that all synthesized compounds may possess good pharmacokinetic profiles.

Syntheses, spectroscopic properties and molecular structure of silver phytate complexes - IR, UV-VIS studies and DFT calculations

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Zając, A.; Dymińska, L.; Lorenc, J.; Ptak, M.; Hanuza, J.

2018-03-01

Silver phytate IP6, IP6Ag, IP6Ag2 and IP6Ag3 complexes in the solid state have been synthesized changing the phosphate to metal mole ratio. The obtained products have been characterized by means of chemical and spectroscopic studies. Attenuated total reflection Fourier transform infrared technique and Raman microscope were used in the measurements. These results were discussed in terms of DFT (Density Functional Theory) quantum chemical calculations using the B3LYP/6-31G(d,p) approach. The molecular structures of these compounds have been proposed on the basis of group theory and geometry optimization taking into account the shape and the number of the observed bands corresponding to the stretching and bending vibrations of the phosphate group and metal-oxygen polyhedron. The role of inter- and intra-hydrogen bonds in stabilization of the structure has been discussed. It was found that three types of hydrogen bonds appear in the studied compounds: terminal, and those engaged in the inter- and intra-molecular interactions. The Fermi resonance as a result of the strong intra-molecular Osbnd H⋯O hydrogen bonds was discovered. Electron absorption spectra have been measured to characterize the electron properties of the studied complexes and their local symmetry.

Microwave-Assisted Synthesis and Antimicrobial Evaluation of Novel Spiroisoquinoline and Spiropyrido[4,3-d]pyrimidine Derivatives

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Rasha M. Faty

2015-01-01

Full Text Available Bromination of N-substituted homophthalimides and tetrahydropyrido[4,3-d]- pyrimidine-5,7-diones produces 4,4-dibromohomophthalimide and 8,8-dibromo-tetrahydropyrido[4,3-d]pyrimidine-5,7-dione derivatives, respectively, that can be used as precursors for spiro derivatives. The dibromo derivatives react with different binucleophilic reagents to produce several spiroisoquinoline and spirotetrahydropyrido[4,3-d]- pyrimidine-5,7-dione derivatives, respectively. Reaction of the dibromo derivatives with malononitrile produces dicyanomethylene derivatives which react with different binucleophiles to produce new spiro derivatives. All new compounds are prepared by using the usual chemical conditions and microwave assisted conditions. The latter conditions improved the reaction yields, reduced reaction times and ameliorated the effects on the surrounding environment as the reactions are carried out in closed systems. Structures of the newly synthesized compounds are proved using spectroscopic methods such as IR, MS, 1H-NMR and 13C-NMR and elemental analyses. Some of the newly synthesized compounds were tested for their antimicrobial activities, whereby four of them showed moderate activities and the rest showed low or no activities towards the investigated species.

Release profile of synthesized coumarin derivatives as a novel antibacterial agent from glass ionomer cement (GIC)

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Rahman, Fatimah Suhaily Abdul; Osman, Hasnah; Mohamad, Dasmawati

2017-12-01

Glass ionomer cements (GIC) are widely used as dental restorative materials due to their aesthetics features and fluoride content. However, a capability of fluoride content in GIC to inhibit bacteria growth in an oral environment was insufficient for a long term which may lead to secondary caries. Therefore, two types of synthesized coumarin derivatives were incorporated with GIC to act as new antibacterial agent. However prior to the antibacterial evaluation, this study investigated the release profile of GIC incorporated with 3-Acetylcoumarin (GIC-1) and hydrazinyl thiosemicarbazide of coumarin derivatives (GIC-2) at three different concentrations of 0.5, 1.0 and 1.5 wt% up to 30 days. At early incubation period, GIC-1 revealed a higher release profile at 0.5 % fabrication that reached almost 45 % of cumulative release for 8 hours observational. Meanwhile, a slightly different output was obtained for GIC-2 in which 1.0 % fabrication of coumarin gave a better release in the initial hour. However, the pattern was replaced by 0.5 % substitution after 4 hours incubation time. A substitution of 1.5 % coumarin seems to be low in releasing activity for all materials. Conversely, in a longer period 1.0 % fabrication was discovered to be the highest coumarin release among others fabrications for both materials. Filler particle size and porosity of the materials were considered to be the main factor that may affect the coumarin release. Nonetheless, both synthesized coumarin derivatives can be incorporated with GIC as their release profile look very promising. Ultimately, the coumarin derivatives could improve the properties of GIC.

Design, synthesis, α-glucosidase inhibitory activity, molecular docking and QSAR studies of benzimidazole derivatives

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Dinparast, Leila; Valizadeh, Hassan; Bahadori, Mir Babak; Soltani, Somaieh; Asghari, Behvar; Rashidi, Mohammad-Reza

2016-06-01

In this study the green, one-pot, solvent-free and selective synthesis of benzimidazole derivatives is reported. The reactions were catalyzed by ZnO/MgO containing ZnO nanoparticles as a highly effective, non-toxic and environmentally friendly catalyst. The structure of synthesized benzimidazoles was characterized using spectroscopic technics (FT-IR, 1HNMR, 13CNMR). Synthesized compounds were evaluated for their α-glucosidase inhibitory potential. Compounds 3c, 3e, 3l and 4n were potent inhibitors with IC50 values ranging from 60.7 to 168.4 μM. In silico studies were performed to explore the binding modes and interactions between enzyme and synthesized benzimidazoles. Developed linear QSAR model based on density and molecular weight could predict bioactivity of newly synthesized compounds well. Molecular docking studies revealed the availability of some hydrophobic interactions. In addition, the bioactivity of most potent compounds had good correlation with estimated free energy of binding (ΔGbinding) which was calculated according to docked best conformations.

Spectroscopic studies on two mono nuclear iron (III) complexes derived from a schiff base and an azodye

Energy Technology Data Exchange (ETDEWEB)

Mini, S., E-mail: sadasivan.v@gmail.com; Sadasivan, V., E-mail: sadasivan.v@gmail.com [University College, M G Road, Palayam, Thiruvananthapuram 695 034 Kerala (India); Meena, S. S., E-mail: ssingh@barc.gov.in; Bhatt, Pramod, E-mail: ssingh@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

2014-10-15

Two new mono nuclear Fe(III) complexes of an azodye (ANSN) and a Schiff base (FAHP) are reported. The azodye is prepared by coupling diazotized 1-amino-2-naphthol-4-sulphonicacid with 2-naphthol and the Schiff base is prepared by condensing 2-amino-3-hydroxy pyridine with furfural. The complexes were synthesized by the reaction of FeCl{sub 3}Ðœ‡2H{sub 2}O with respective ligands. They were characterized on the basis of elemental analysis and spectral studies like IR, NMR, Electronic and M.ssbauer. Magnetic susceptibility and Molar conductance of complexes at room temperature were studied. Based on the spectroscopic evidences and other analytical data the complexes are formulated as[Fe(ANSN)Cl(H{sub 2}O){sub 2}] and [Fe(FAHP)Cl{sub 2}(H{sub 2}O){sub 2}].

From nicotinate-containing layered double hydroxides (LDHs) to NAD coenzyme-LDH nanocomposites - Syntheses and structural characterization by various spectroscopic methods

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Muráth, Szabolcs; Dudás, Csilla; Kukovecz, Ákos; Kónya, Zoltán; Sipos, Pál; Pálinkó, István

2017-07-01

The syntheses of nicotinate anion- and NAD coenzyme-layered double hydroxide (LDH) composites were performed with the aim of having the organic component among the layers. In-house prepared CaAl-LDHs were the host materials. Intercalation was attempted by direct ion exchange or by the dehydration-rehydration method applying aqueous solvent mixtures (containing ethanol, propanol, acetone, N,N-dimethylformamide). For structural characterization, beside X-ray diffractometry, X-ray photoelectron and IR spectroscopies, transmission and scanning electron microscopies as well as energy-dispersive X-ray analysis were used. Molecular modelling served for the visualization of the arrangements of the intercalated ions among the layers of the LDH samples. Although not all the intercalation methods and solvent mixtures led to intercalated composite materials, successful ones could be identified. The combination of spectroscopic methods helped in proposing sensible spatial arrangements for the intercalated anions. The NAD-CaAl-LDH composite proved to be an active catalyst in the oxidation of hydroquinone to 1,4-bezoquinoe in the presence of H2O2.

Spectroscopic investigations, antimicrobial, and cytotoxic activity of green synthesized gold nanoparticles

Science.gov (United States)

Lokina, S.; Suresh, R.; Giribabu, K.; Stephen, A.; Lakshmi Sundaram, R.; Narayanan, V.

2014-08-01

The gold nanoparticles (AuNPs) were synthesized by using naturally available Punica Granatum fruit extract as reducing and stabilizing agent. The biosynthesized AuNPs was characterized by using UV-Vis, fluorescence, high resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), Fourier transform infrared (FTIR) and thermogravimetric (TGA) analysis. The surface plasmon resonance (SPR) band at 585 nm confirmed the reduction of auric chloride to AuNPs. The crystalline nature of the biosynthesized AuNPs was confirmed from the HRTEM images, XRD and selected area electron diffraction (SAED) pattern. The HRTEM images showed the mixture of triangular and spherical-like AuNPs having size between 5 and 20 nm. The weight loss of the AuNPs was measured by TGA as a function of temperature under a controlled atmosphere. The biomolecules are responsible for the reduction of AuCl4- ions and the formation of stable AuNPs which was confirmed by FTIR measurement. The synthesized AuNPs showed an excellent antibacterial activity against Candida albicans (ATCC 90028), Aspergillus flavus (ATCC 10124), Staphylococcus aureus (ATCC 25175), Salmonella typhi (ATCC 14028) and Vibrio cholerae (ATCC 14033). The minimum inhibitory concentration (MIC) of AuNPs was recorded against various microorganisms. Further, the synthesized AuNPs shows an excellent cytotoxic result against HeLa cancer cell lines at different concentrations.

Biological activity of some novel synthesized 2-(4-methylbenzenesulphonamidopentanedioic acid bis amide derivatives: In vitro and in vivo antineoplastic activity

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Satyajit Dutta

2014-12-01

Full Text Available In the present work few novel 2-(4-methylbenzenesulphonamidopentanedioic acid bis amide derivatives and the basic compound 2-(4-methylphenylsulfonamidopentanedioic acid have been synthesized, characterized and screened for their possible antineoplastic activity both in vitro and in vivo. The in vitro activity was performed against five human cell lines like human breast cancer (MCF-7, leukemia (K-562, ovarian cancer (OVACAR-3, human colon adenocarcinoma (HT-29 and Human kidney carcinoma (A-498. The in vivo activity was performed in female swiss albino mice against Ehrlich ascites carcinoma (EAC. Among the synthesized compounds, ureide, anilide, p-nitoanilide and o-bromoanilide derivatives of 2-(4-methyl benzene sulphonyl-pentanedioic acid bis amides showed encouraging activity in both the in vitro and in vivo compared to other compounds.

Syntheses and characterization of novel oxoisoaporphine derivatives as dual inhibitors for cholinesterases and amyloid beta aggregation.

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Li, Yan-Ping; Ning, Fang-Xian; Yang, Meng-Bi; Li, Yong-Cheng; Nie, Min-Hua; Ou, Tian-Miao; Tan, Jia-Heng; Huang, Shi-Liang; Li, Ding; Gu, Lian-Quan; Huang, Zhi-Shu

2011-05-01

A series of 3-substituted (5c-5f, 6c-6f) and 4-substituted (10a-10g) oxoisoaporphine derivatives were synthesized. It was found that all these synthetic compounds had IC50 values at micro or nano molar range for cholinesterase inhibition, and most of them could inhibit amyloid β (Aβ) self-induced aggregation with inhibition ratio from 31.8% to 57.6%. The structure-activity relationship studies revealed that the derivatives with higher selectivity on AChE also showed better inhibition on Aβ self-induced aggregation. The results from cell toxicity study indicated that most quaternary methiodide salts had higher IC50 values than the corresponding non-quaternary compounds. This study provided potentially important information for further development of oxoisoaporphine derivatives as lead compounds for the treatment of Alzheimer's disease. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

Syntheses, spectroscopic characterization, crystal structure and natural rubber vulcanization activity of new disulfides derived from sulfonyldithiocarbimates

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Alves, Leandro de Carvalho; Rubinger, Mayura Marques Magalhães; Tavares, Eder do Couto; Janczak, Jan; Pacheco, Elen Beatriz Acordi Vasques; Visconte, Leila Lea Yuan; Oliveira, Marcelo Ribeiro Leite

2013-09-01

The compounds (Bu4N)2[(4-RC6H4SO2NCS2)2] [Bu4N = tetrabutylammonium cation; R = H (1), F (2), Cl (3) and Br (4)] and (Ph4P)2[(4-RC6H4SO2NCS2)2]ṡH2O [Ph4P = tetraphenylphosphonium cation and R = I (5)] were synthesized by the reaction of the potassium dithiocarbimates (4-RC6H4SO2NCS2K2ṡ2H2O) with I2 and Bu4NBr or Ph4PCl. The IR data were consistent with the formation of the dithiocarbimatodisulfides anions. The NMR spectra showed the expected signals for the cations and anions in a 2:1 proportion. The structures of compounds 1-5 were determined by the single crystal X-ray diffraction. The compounds 2, 3 and 4 are isostructural and crystallise in the centrosymmetric space group C2/c of the monoclinic system. Compound 1 crystallises in the monoclinic system in the space group of P21/n and the compound 5 crystallises in the centrosymmetric space group P-1 of the triclinic system. The complex anions of compounds 2, 3 and 4 exhibit similar conformations having twofold symmetry, while in 1 and 5 the anions exhibit C1 symmetry. The activity of the new compounds in the vulcanization of the natural rubber was evaluated and compared to the commercial accelerators ZDMC, TBBS and TMTD. These studies confirm that the sulfonyldithiocarbimato disulfides anions are new vulcanization accelerators, being slower than the commercial accelerators, but producing a greater degree of crosslinking, and scorch time values compatible with good processing safety for industrial applications. The mechanical properties, stress and tear resistances were determined and compared to those obtained with the commercial accelerators.

Synthesis and Spectroscopic Characterization of Two Tetrasubstituted Cationic Porphyrin Derivatives

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Newton M. Barbosa Neto

2011-07-01

Full Text Available An imidazolium tetrasubstituted cationic porphyrin derivative (the free base and its Zn(II complex with five-membered heterocyclic groups in the meso-positions were synthesized using microwave irradiation, and the compounds obtained characterized by 1H-NMR and mass spectrometry. We observed that under microwave irradiation the yield is similar to when the synthesis is performed under conventional heating, however, the time required to prepare the porphyrins decreases enormously. In order to investigate the electronic state of these compounds, we employed UV-Vis and fluorescence spectroscopy combined with quantum chemical calculations. The results reveal the presence, in both compounds, of a large number of electronic states involving the association between the Soret and a blue-shifted band. The Soret band in both compounds also shows a considerable solvent dependence. As for emission, these compounds present low quantum yield at room temperature and no solvent influence on the fluorescence spectra was observed.

Synthesis and Antiproliferative Activity of Some Novel Triazole Derivatives from Dehydroabietic Acid

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Mariano Walter Pertino

2014-02-01

Full Text Available Dehydroabietic acid (DHA is a naturally occurring diterpene with different and relevant biological activities. Previous studies have shown that some DHA derivatives display antiproliferative activity. However, the reported compounds did not include triazole derivatives. Starting from DHA (8,11,13-abietatrien-18-oic acid, and its alcohol dehydroabietinol (8,11,13-abietatrien-18-ol, four alkyl esters were prepared. The alkyl terpenes were treated with different aromatic azides to synthesize hybrid compounds using click chemistry. Some 16 new DHA hybrids were thus synthesized and their structures were confirmed by spectroscopic and spectrometric means. The antiproliferative activity of the new compounds was assessed towards human cell lines, namely normal lung fibroblasts (MRC-5, gastric epithelial adenocarcinoma (AGS, lung cancer (SK-MES-1 and bladder carcinoma (J82 cells. Better antiproliferative effect was found for compound 5, with an IC50 of 6.1 μM and selectivity on SK-MES-1 cells. Under the same experimental conditions, the IC50 of etoposide, was 1.83 µM.

Magnetic nanoparticle supported phosphotungstic acid: An efficient catalyst for the synthesis of xanthene derivatives

Science.gov (United States)

Patel, Nipun; Katheriya, Deepak; Dadhania, Harsh; Dadhania, Abhishek

2018-05-01

Magnetic nanoparticle supported phosphotungstic acid (Fe3O4@SiO2-HPW) was applied as a highly efficient catalyst for the synthesis of 14H-dibenzoxanthene derivatives via condensation reaction of 2-naphthol and aryl aldehydes. The catalyst was found highly efficient for the synthesis of xanthene derivatives under solvent free condition. The catalyst showed high activity and stability during the reaction and provided excellent yield of the corresponding products in short reaction time. All the synthesized compounds were characterized through FT-IR, 1H-NMR and 13C-NMR spectroscopic techniques. Furthermore, the catalyst is magnetically recoverable and can be reused several times without significant loss of its catalytic activity.

Spectroscopic profiling and computational study of the binding of tschimgine: A natural monoterpene derivative, with calf thymus DNA

Science.gov (United States)

Khajeh, Masoumeh Ashrafi; Dehghan, Gholamreza; Dastmalchi, Siavoush; Shaghaghi, Masoomeh; Iranshahi, Mehrdad

2018-03-01

DNA is a major target for a number of anticancer substances. Interaction studies between small molecules and DNA are essential for rational drug designing to influence main biological processes and also introducing new probes for the assay of DNA. Tschimgine (TMG) is a monoterpene derivative with anticancer properties. In the present study we tried to elucidate the interaction of TMG with calf thymus DNA (CT-DNA) using different spectroscopic methods. UV-visible absorption spectrophotometry, fluorescence and circular dichroism (CD) spectroscopies as well as molecular docking study revealed formation of complex between TMG and CT-DNA. Binding constant (Kb) between TMG and DNA was 2.27 × 104 M- 1, that is comparable to groove binding agents. The fluorescence spectroscopic data revealed that the quenching mechanism of fluorescence of TMG by CT-DNA is static quenching. Thermodynamic parameters (ΔH TMG with CT-DNA. Competitive binding assay with methylene blue (MB) and Hoechst 33258 using fluorescence spectroscopy displayed that TMG possibly binds to the minor groove of CT-DNA. These observations were further confirmed by CD spectral analysis, viscosity measurements and molecular docking.

Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives

Science.gov (United States)

El-Azab, Adel S.; Mary, Y. Sheena; Abdel-Aziz, Alaa A. M.; Miniyar, Pankaj B.; Armaković, Stevan; Armaković, Sanja J.

2018-03-01

The Fourier transform infrared spectra of the compounds 2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazine (PHOXPY), 2-(5-styryl-1,3,4-oxadiazol-2-yl)pyrazine (STOXPY) and 2-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pyrazine (FUOXPY) have been recorded and the wavenumbers are computed at the density functional theory level. The assignments of all the fundamental bands of each molecule are made using potential energy distribution. The computed values of dipole moment, polarizability and hyperpolarizability values indicate that the title molecules exhibit NLO properties. The HOMO and LUMO energies demonstrate the chemical stability of the molecules and NBO analysis is made to study the stability of molecules arising from hyper conjugative interactions and charge delocalization. Detailed computational analysis and spectroscopic characterization has been performed for three newly synthesized oxadiazole derivatives. Obtained computational and experimental results have been mutually compared in order to understand the influence of structural parts specific for each derivative. From the MIC determination, MTb H37Rv was found to be sensitive to compounds, PHOXPY, STOXPY and FUOXPY. The results obtained from anti-TB activity are more promising as the compounds were found to be more potent than reference standards, streptomycin and pyrazinamide. Efforts were made in order to predict both global and local reactive properties of the title oxadiazole derivatives, including their sensitivity towards autoxidation mechanism and influence of water. The results obtained from anti-TB activity are more promising for the title compounds. Interaction with representative protein Pterindeaminase inhibitor asricin A was also investigated using the molecular docking procedure. The docked ligands form stable complexes with the receptor ricin A and the docking results suggest that these compounds can be developed as new anti-cancer drugs.

Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures

Science.gov (United States)

Aswathy, V. V.; Alper-Hayta, Sabiha; Yalcin, Gözde; Mary, Y. Sheena; Panicker, C. Yohannan; Jojo, P. J.; Kaynak-Onurdag, Fatma; Armaković, Stevan; Armaković, Sanja J.; Yildiz, Ilkay; Van Alsenoy, C.

2017-08-01

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-phenylacetamide (NBBPA) was synthesized in this study as an original compound in order to evaluate its antibacterial activity against representative Gram-negative and Gram-positive bacteria, with their drug-resistant clinical isolate. Microbiological results showed that this compound had moderate antibacterial activity. Study also encompassed detailed FT-IR, FT-Raman and NMR experimental and theoretical spectroscopic characterization and assignation of the ring breathing modes of the mono-, ortho- and tri-substituted phenyl rings is in agreement with the literature data. DFT calculations were also used to identify specific reactivity properties of NBBPA molecule based on the molecular orbital, charge distribution and electron density analysis, which indicated the reactive importance of carbonyl and NH2 groups, together with bromine atom. DFT calculations were also used for investigation of sensitivity of the NBBPA molecules towards the autoxidation mechanism, while molecular dynamics (MD) simulations were used to investigate the influence of water. The molecular docking results suggest that the compound might exhibit inhibitory activity against GyrB complex.

Antioxidant activities of the synthesized thiol-contained peptides derived from computer-aided pepsin hydrolysis of yam tuber storage protein, dioscorin.

Science.gov (United States)

Han, Chuan-Hsiao; Liu, Ju-Chi; Fang, Sheng-Uei; Hou, Wen-Chi

2013-06-01

Our previous report showed that yam dioscorin and its peptic hydrolysates exhibit radical scavenging activities; however, the functions of these peptic hydrolases are still under investigation. In this study, the thiol-containing peptides derived from computer-aided simulation of pepsin hydrolysis of dioscorin, namely, KTCGNGME (diotide1), PPCSE (diotide2), CDDRVIRTPLT (diotide3), KTCGY (diotide4), and PPCTE (diotide5) were synthesized to compare their antioxidant activities with GSH and/or carnosine by examining hydroxyl radical scavenging activity by electron spin resonance spectrometry, anti-low-density lipoprotein peroxidation, anti-AAPH-induced hemolysis, and oxygen radical absorbance capacity activity. We found that while all the synthesized diotides showed antioxidant activity, diotide4 exhibited the highest levels. Moreover, all diotides (100 μM) showed protective effects against methylglyoxal-induced human umbilical vein endothelial cell death. These results suggest that thiol-containing diotides derived from dioscorin hydrolysis exhibit antioxidant activities and reveal the benefits of yam tuber as an antioxidant-rich food. Copyright © 2012 Elsevier Ltd. All rights reserved.

Spectroscopic and molecular modeling investigation on the binding of a synthesized steroidal amide to protein

Energy Technology Data Exchange (ETDEWEB)

Zhang, Hua-xin, E-mail: h.x.zhang@yeah.net; Liu, E.

2014-09-15

Owing to the various valuable biological activities, steroidal amides have become a hot topic in steroidal pharmaceutical chemistry. In this paper, an anti-tumor steroid derivate (DAAO) was synthesized and identified. The interaction between DAAO and human serum albumin (HSA) was studied by fluorescence spectra, circular dichroism (CD) spectra, molecular modeling and molecular probe techniques. The results suggested that DAAO had reacted with HSA through hydrogen bonds and van der Waals power. The formation of DAAO–HSA complex at ground state led to static quenching of HSA's fluorescence. The number of binding sites, binding constants, enthalpy change (ΔH{sup θ}), Gibbs free energy change (ΔG{sup θ}) and entropy change (ΔS{sup θ}) were calculated at different temperatures based on fluorescence quenching theory and classic equation. Molecular modeling investigation indicated that DAAO was more inclined to absorb on Sudlow's site I in subdomain IIA of HSA molecule on grounds of the lowest energy principle and steric hindrance effect. The binding location was further confirmed by fluorescence probe experiment using warfarin (site I probe) for displacement. Furthermore, the conformational changes of HSA in presence of DAAO were investigated by CD spectra. The results could provide new evidence explaining the relationship between the chemical structure and biological activity and may be useful for understanding the anti-cancer mechanism of steroidal drug. - Highlights: • A designed steroidal amide compound (DAAO) was synthesized by introducing amido bonds into a steroid nucleus. • DAAO binds to Sudlow's site I in HSA through hydrogen bonds and van der Waals power. • The interaction was a spontaneous and exothermic process with modest degree of reversibility. • The secondary structure of HSA and the microenvironment of TRP214 altered. • Amido bond in steroid nucleus (–NH–CO–) plays important role in stabling the structure of

Design, Synthesis and Antifungal/Insecticidal Evaluation of Novel Cinnamide Derivatives

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Yanjun Xu

2011-10-01

Full Text Available Twenty novel cinnamamide derivatives were designed and synthesized using as lead compound pyrimorph, whose morpholine moiety was replaced by β-phenylethylamine. All the compounds were characterized by their spectroscopic data. The fungicidal and insecticidal activities were also evaluated. The preliminary results showed that all the title compounds had certain fungicidal activities against seven plant pathogens at a concentration of 50 μg/mL, and compounds 11a and 11l showed inhibition ratios of up to 90% against R. solani. Most of the title compounds exhibited moderate nematicidal activities. In general, the morpholine ring may be replaced by other amines and a chlorine atom in the pyridine ring is helpful to fungicidal activity.

Syntheses and properties of several metastable and stable hydrides derived from intermetallic compounds under high hydrogen pressure

Energy Technology Data Exchange (ETDEWEB)

Filipek, S.M., E-mail: sfilipek@unipress.waw.pl [Institute of High Pressure Physics PAS, ul. Sokolowska 29, 01-142 Warsaw (Poland); Paul-Boncour, V. [ICMPE-CMTR, CNRS-UPEC, 2-8 rue Henri Dunant, 94320 Thiais (France); Liu, R.S. [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Jacob, I. [Unit Nuclear Eng., Ben Gurion University of the Negev, Beer-Sheva (Israel); Tsutaoka, T. [Dept. of Sci. Educ., Grad. School of Educ., Hiroshima University, Hiroshima (Japan); Budziak, A. [Institute of Nuclear Physics PAS, 31-342 Kraków (Poland); Morawski, A. [Institute of High Pressure Physics PAS, ul. Sokolowska 29, 01-142 Warsaw (Poland); Sugiura, H. [Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama 236-0027 (Japan); Zachariasz, P. [Institute of Electron Technology Cracow Division, ul. Zablocie 39, 30-701 Krakow (Poland); Dybko, K. [Institute of Physics, PAS, 02-668 Warsaw (Poland); Diduszko, R. [Tele and Radio Research Institute, ul. Ratuszowa 11, Warsaw (Poland)

2016-12-01

Brief summary of our former work on high hydrogen pressure syntheses of novel hydrides and studies of their properties is supplemented with new results. Syntheses and properties of a number of hydrides (unstable, metastable or stable in ambient conditions) derived under high hydrogen pressure from intermetallic compounds, like MeT{sub 2}, MeNi{sub 5}, Me{sub 7}T{sub 3}, Y{sub 6}Mn{sub 23} and YMn{sub 12} (where Me = zirconium, yttrium or rare earth; T = transition metal) are presented. Stabilization of ZrFe{sub 2}H{sub 4} due to surface phenomena was revealed. Unusual role of manganese in hydride forming processes is pointed out. Hydrogen induced phase transitions, suppression of magnetism, antiferromagnetic-ferromagnetic and metal-insulator or semimetal-metal transitions are described. Equations of state (EOS) of hydrides submitted to hydrostatic pressures up to 30 GPa are presented and discussed.

Electrochemical and spectroscopic investigations of immobilized de novo designed heme proteins on metal electrodes

DEFF Research Database (Denmark)

Albrecht, Tim; Li, WW; Ulstrup, Jens

2005-01-01

On the basis of rational design principles, template-assisted four-helix-bundle proteins that include two histidines for coordinative binding of a heme were synthesized. Spectroscopic and thermodynamic characterization of the proteins in solution reveals the expected bis-histidine coordinated heme...

Structural characterization and antioxidant properties of Cu(II) and Ni(II) complexes derived from dicyandiamide

Science.gov (United States)

Kertmen, Seda Nur; Gonul, Ilyas; Kose, Muhammet

2018-01-01

New Cu(II) and Ni(II) complexes derived from dicyandiamide were synthesized and characterised by spectroscopic and analytical methods. Molecular structures of the complexes were determined by single crystal X-ray diffraction studies. In the complexes, the Cu(II) or Ni(II) ions are four-coordinate with a slight distorted square planar geometry. The ligands (L-nPen and L-iPen) derived from dicyandiamide formed via nucleophilic addition of alcohol solvent molecule in the presence Cu(II) or Ni(II) ions. Complexes were stabilised by intricate array of hydrogen bonding interactions. Antioxidant activity of the complexes was evaluated by DPPH radical scavenging and CUPRAC methods. The complexes exhibit antioxidant activity, however, their activities were much lower than standard antioxidants (Vitamin C and trolox).

Universal relation between spectroscopic constants

Indian Academy of Sciences (India)

(3) The author has used eq. (6) of his paper to calculate De. This relation leads to a large deviation from the correct value depending upon the extent to which experimental values are known. Guided by this fact, in our work, we used experimentally observed De values to derive the relation between spectroscopic constants.

Spectroscopic and calorimetric investigation of short and intermediate-range structures and energetics of amorphous SiCO, SiCN, and SiBCN polymer-derived ceramics

Science.gov (United States)

Widgeon, Scarlett J.

Polymer-derived ceramics (PDCs) are a new class of amorphous ceramics in the Si-B-C-N system that are synthesized by the pyrolysis of silicon-based organic polymers. PDCs are lightweight and are resistant to creep, crystallization, and oxidation at temperatures near 1800 K making them ideal for a variety of high temperature applications. In spite of being X-ray amorphous, these materials display structural heterogeneity at the nanometer length scale. Their structure and resulting properties can be drastically altered by the utilization of preceramic polymers with differing chemistry and architectures. Fundamental understanding of the atomic structure is critical in deciphering the structure-property relationships and ultimately in controlling their properties for specific engineering applications. The short-range atomic structure has been extensively investigated using a variety of techniques, however, the structures at length scales beyond next-nearest neighbors remained highly controversial. Here we report the results of a spectroscopic and calorimetric study of short and intermediate -range structure and energetic of SiOC and SiBCN PDCs derived from a wide variety of precursors. SiOC PDCs with different carbon contents were synthesized from polysiloxane precurors and their structures were studied using high-resolution 13C and 29Si nuclear magnetic resonance (NMR) spectroscopy. The results suggest that these PDCs consists of a continuous mass fractal backbone of corner-shared SiC xO4-x tetrahedral units with "voids" occupied by sp 2-hybridized graphitic carbon. The oxygen-rich SiCxO 4-x units are located at the interior of this backbone with a mass fractal dimension of ~ 2.5, while the carbon-rich units occupy the two-dimensional interface between the backbone and the free carbon nanodomains. Such fractal topology is expected to give rise to unusual mechanical and transport properties characteristic of fractal percolation networks. For example, elastic moduli and

Synthesis, Spectroscopic Characterization and Biological Activities of Transition Metal Complexes Derived from a Tridentate Schiff Base

Directory of Open Access Journals (Sweden)

J. Senthil Kumaran

2013-01-01

Full Text Available A new series of Cu (II, Ni (II, Co (II and Zn (II complexes have been synthesized from the Schiff base derived from 4-hydroxy-3-methoxybenzylidine-4-aminoantipyrine and 2-aminophenol. The structural features have been determined from their elemental analysis, magnetic susceptibility, molar conductance, Mass, IR, UV-Vis, 1H-NMR, 13C-NMR and ESR spectral studies. The redox behavior of the copper complex has been studied by cyclic voltammetry. The data confirm that the complexes have composition of ML2 type. The electronic absorption spectral data of the complexes propose an octahedral geometry around the central metal ion. All the metal complexes with DNA structure were guided by the presence of inter-molecular C–H⋯O and C–H⋯N hydrogen bonds. The biological activity of the synthesized compounds were tested against the bacterial species such as Bacillus subtilis, Staphylococcus aureus, Proteus vulgaris and fungal species such as Candida albicans by the well-diffusion method.

New diorganotin(IV) derivatives of 7-hydroxycoumarin (umbelliferone) and their adducts with 1,10-phenanthroline

Science.gov (United States)

Nath, Mala; Jairath, Ruchi; Eng, George; Song, Xueqing; Kumar, Ashok

2005-10-01

New diorganotin(IV) derivatives of the general formula R 2Sn(Umb) 2 (where R = n-Bu, n-Oct and Ph; Umb = umbelliferone anion) have been synthesized either by the reaction of R 2SnO with umbelliferone under azeotropic removel of water or by the reaction of R 2SnCl 2 with sodium salt of umbelliferone. Further, the adducts of the general formula R 2Sn(Umb) 2·phen (where R = n-Bu and n-Oct; phen = 1,10-phenanthroline) have also been synthesized by the interaction of R 2Sn(Umb) 2 with 1,10-phenanthroline. The bonding and coordination behavior in these derivatives are discussed on the basis of IR and 119Sn Mössbauer spectroscopic studies in solid state. Their coordination behavior in solution is discussed by the multinuclear ( 1H, 13C and 119Sn) NMR spectral studies. The Mössbauer and IR studies indicate that umbelliferone acts as a monoanionic bidentate ligand in R 2Sn(Umb) 2 coordinating through O(7) and O(1). A distorted octahedral geometry around tin has been proposed for R 2Sn(Umb) 2 as well as for R 2Sn(Umb) 2·phen in solid state. The newly synthesized derivatives have been tested for their anti-inflammatory and cardiovascular activities. The average LD 50 value >1000 mg kg -1 of these compounds indicates their safety margin.

Spectroscopic identification of rare earth elements in phosphate glass

Science.gov (United States)

Devangad, Praveen; Tamboli, Maktum; Muhammed Shameem, K. M.; Nayak, Rajesh; Patil, Ajeetkumar; Unnikrishnan, V. K.; Santhosh, C.; Kumar, G. A.

2018-01-01

In this work, rare earth-doped phosphate glasses were synthesized and characterized using three different spectroscopic techniques. The absorption spectra of the prepared praseodymium (Pr) and samarium (Sm) doped glasses, recorded by a UV-VIS-NIR spectrophotometer, show the characteristic absorption bands of these elements. To confirm this inference, laser-induced fluorescence spectra of Pr and Sm were obtained at a laser excitation of 442 nm. Their emission bands are reported here. The elemental analysis of these samples was carried out using a laser-induced breakdown spectroscopy (LIBS) system. Characteristic emission lines of Pr and Sm have been identified and reported by the recorded LIBS spectra of glass samples. Results prove that using these three complimentary spectroscopic techniques (absorption, fluorescence and LIBS), we can meaningfully characterize rare earth-doped glass samples.

Syntheses of F-18 Labeled Fluoroalkyltyrosine Derivatives

International Nuclear Information System (INIS)

Moon, Byung Seok; Lee, Kyo Chul; Yang, Seung Dae; Chun, Kwon Soo; Chi, Dae Yoon

2005-01-01

Positron emission tomography (PET) offers the highest resolution of all nuclear medicine imaging modalities and allows quantitation of tracer concentration in tissues. For more than 60 years, some of C-11 or F-18 labeled amino acids have been synthesized and evaluated for potential use in oncology, neurology and psychiatric disorders. Besides, a variety of radioisotope labeled amino acids have proven to be useful for imaging tumors, especially for brain tumor, lung tumor and breast tumor. These amino acids can be subdivided into two categories. The first category is represented by radiolabled naturally occurring amino acids and structurally similar analogues. Although these radiolabeled amino acids have proven useful in detecting brain and systemic tumors, it is susceptible to in vivo metabolism through multiple pathways that give rise to numerous radiolabled metabolites. On the other side, structurally similar amino acid analogues have some significant advantages over the natural amino acids. These nonnatural amino acids are not metabolized, which simplifieds the kinetic analysis of their uptake. On the basis of the promising results obtained with these nonnatural amino acids in preclinical studies, recent efforts have focused on the development of new F-18 labeled nonnatural amino acids. Recently, O-(2-[ 18 F]Fluoroethyl)-L-tyrosine (FET), O-(3-[ 18 F]Fluoropropyl)-L-tyrosine (FPT) were developed and evaluated among structurally similar to a new amino acid analogue. FET has shown high uptake in activated inflammatory cells using an experimental acute abscess model and in inflammation within lymph nodes. FPT was superior to FDG and had a slight advantage over FET in the differentiation of tumor from inflammation, and, like FET, it appeared to be a potential amino acid tracer for tumor imaging with PET. In this paper, we elected to introduce fluoroethyl and fluoropropyl groups at the R 1 positions and OCH 3 at R 2 position to the same effect of FET. Herein, we wish

Synthesis and antimicrobial activity of some novel fused heterocyclic 1,2,4-triazolo [3,4-b][1,3,4] thiadiazine derivatives

Science.gov (United States)

Sahu, Jagdish K.; Ganguly, Swastika; Kaushik, Atul

2014-01-01

In the present investigation, the synthesis and antimicrobial evaluation of 1,2,4-triazolo [3,4-b][1,3,4] thiadiazine including different pharmacophores are aimed at. In this study, a series of 6-aryl-3- (3,4 -dialkoxyphenyl)-7H -[1,2,4]triazolo [3,4-b][1,3,4] thiadiazine (7a-7k) was synthesized by condensing 4-amino-5-(3,4-dialkoxyphenyl)-4H-[1,2,4]- triazole-3-thiol (6) with various aromatic carboxylic acids in the presence of phenacyl bromides through one-pot reaction. Eleven fused heterocyclic derivatives were successfully synthesized. The structures of these newly synthesized compounds were characterized by IR, 1H NMR and mass spectroscopic studies. All the synthesized compounds were screened for their antimicrobial evaluation. Some of the compounds exhibited promising antimicrobial activity. From the present study it may be concluded that synthesized compounds are fruitful in terms of their structural novelty and marked biological activities. These compounds could be further modified to develop potential and safer antifungal agents. PMID:24959418

Immunocytochemistry by electron spectroscopic imaging using a homogeneously boronated peptide.

Science.gov (United States)

Kessels, M M; Qualmann, B; Klobasa, F; Sierralta, W D

1996-05-01

A linear all-L-oligopeptide containing five carboranyl amino acids (corresponding to 50 boron atoms) was synthesized and specifically attached to the free thiol group of monovalent antibody fragments F(ab)'. The boronated immunoreagent was used for the direct post-embedding detection of somatotrophic hormone in ultrathin sections of porcine pituitary embedded in Spurr resin. The specific boron-labelling of secretory vesicles in somatotrophs was detected by electron spectroscopic imaging and confirmed by conventional immunogold labelling run in parallel. In comparison with immunogold, boron-labelled F(ab)'-fragments showed higher tagging frequencies, as was expected; the small uncharged immunoreagents have an elongated shape and carry the antigen-combining structure and the detection tag at opposite ends, thus allowing for high spatial resolution in electron spectroscopic imaging.

Thermal and spectroscopic studies on solid ibuprofen complexes of lighter trivalent lanthanides

Energy Technology Data Exchange (ETDEWEB)

Gálico, D.A.; Holanda, B.B.C.; Guerra, R.B.; Legendre, A.O.; Rinaldo, D. [UNESP – Univ Estadual Paulista, Faculdade de Ciências, Departamento de Química, São Paulo CEP 17033-260 (Brazil); Treu-Filho, O. [UNESP – Univ Estadual Paulista, Instituto de Química, São Paulo CEP 14800-900 (Brazil); Bannach, G., E-mail: gilbert@fc.unesp.br [UNESP – Univ Estadual Paulista, Faculdade de Ciências, Departamento de Química, São Paulo CEP 17033-260 (Brazil)

2014-01-10

Highlights: • Lighter trivalent lanthanide complexes of ibuprofen have been synthesized. • The TG-FTIR allowed the identification of propane as the gas evolved during the thermal decomposition of the neodymium compound. • The thermal analysis provided information about the composition, dehydration, thermal behavior and thermal decomposition of the samples. • The theoretical and experimental spectroscopic studies suggest that the carboxylate group of ibuprofen is coordinated to the metals by a bidentate bond. - Abstract: Solid-state compounds of general formula Ln(L){sub 3}, in which L is ibuprofen and Ln stands for trivalent La, Ce, Pr, Nd, Sm and Eu, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG-DTA), X-ray powder diffractometry (DRX), complexometry, Fourier-transformed infrared spectroscopy (FTIR) and thermogravimetry coupled to Fourier-transformed infrared spectroscopy (TG-FTIR) were used to characterize these compounds. The results provided information concerning the chemical composition, dehydration, coordination modes of the ligands, crystallinity of the samples, thermal behavior and thermal decomposition of the compounds. The theoretical and experimental spectroscopic studies suggest that ibuprofen coordinates through the carboxylate group as a chelating ligand.

Thermal and spectroscopic studies on solid ibuprofen complexes of lighter trivalent lanthanides

International Nuclear Information System (INIS)

Gálico, D.A.; Holanda, B.B.C.; Guerra, R.B.; Legendre, A.O.; Rinaldo, D.; Treu-Filho, O.; Bannach, G.

2014-01-01

Highlights: • Lighter trivalent lanthanide complexes of ibuprofen have been synthesized. • The TG-FTIR allowed the identification of propane as the gas evolved during the thermal decomposition of the neodymium compound. • The thermal analysis provided information about the composition, dehydration, thermal behavior and thermal decomposition of the samples. • The theoretical and experimental spectroscopic studies suggest that the carboxylate group of ibuprofen is coordinated to the metals by a bidentate bond. - Abstract: Solid-state compounds of general formula Ln(L) 3 , in which L is ibuprofen and Ln stands for trivalent La, Ce, Pr, Nd, Sm and Eu, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG-DTA), X-ray powder diffractometry (DRX), complexometry, Fourier-transformed infrared spectroscopy (FTIR) and thermogravimetry coupled to Fourier-transformed infrared spectroscopy (TG-FTIR) were used to characterize these compounds. The results provided information concerning the chemical composition, dehydration, coordination modes of the ligands, crystallinity of the samples, thermal behavior and thermal decomposition of the compounds. The theoretical and experimental spectroscopic studies suggest that ibuprofen coordinates through the carboxylate group as a chelating ligand

Antitumor activity of newly synthesized oxo and ethylidene derivatives of bile acids and their amides and oxazolines.

Science.gov (United States)

Bjedov, Srđan; Jakimov, Dimitar; Pilipović, Ana; Poša, Mihalj; Sakač, Marija

2017-04-01

Bile acid derivatives with modifications in side chain and modifications on steroid skeleton were synthetized and their antitumor activity against five human cancer cell lines was investigated. Modifications in side chain include amid group, formed in reaction with 2-amino-2-methylpropanol, and 4,4-dimethyloxazoline group, obtained after cyclization of amides. In the steroid skeleton oxo groups were introduced in position 7 (2, 2a, 2b) and 7,12 (3, 3a, 3b). Ethylidene groups were introduced regio- and stereoselectively on C-7, and/or without stereoselectivity on C-3 by Wittig reaction. By combination of these modifications, a series of 19 bile acid derivatives were synthesized. Compounds containing both C-7 ethylidene and C-12 carbonyl groups (6, 6a, 6b) shown very good antitumor activity with IC 50 amide or oxazoline group has positive effect on cytotoxicity. Different molecular descriptors were determined in silico and after principal component analysis was found that molecular descriptor BLTF96 can be used for fast assessment of experimental cytotoxicity of bile acid derivatives. Copyright © 2017 Elsevier Inc. All rights reserved.

Syntheses and pyrolytic studies of salicylate derivatives of heterotrinucleic [AlIII-SnII-BIII]-μ-oxoisopropoxide

Directory of Open Access Journals (Sweden)

R. Kumar

2013-09-01

Full Text Available New salicylate derivatives of heteronucleic-μ-oxoisopropoxide [SnO2AlB(OPri4] have been synthesized by the thermal condensation of μ-oxoisopropoxide and methyl/ethyl/phenyl/phenyl ethyl salicylates in different molar ratios (1:1-1:2 yielding the compounds of the type [SnO2AlB(OPri4-n(RSALn] (where n is 1-2 and RSAL = salicylate anion, respectively. The complexes have been characterized by elemental, spectral (IR, 1H, 13C, 27Al, 119Sn and 11B NMR, thermal and molecular weight measurement. The complexes are hydrolysed by hydrothermally assisted sol-gel technique and gave hydrolyzed product. Thermal studies of these products are made which favor the formation of multicomponent oxides. The studies reveal that salicylate derivatives are polymeric in nature and low susceptible to hydrolysis as compared to parent compound and may prove excellent precursors for the mixed metal oxides. DOI: http://dx.doi.org/10.4314/bcse.v27i3.6

Efficient hydrogenation of biomass-derived furfural and levulinic acid on the facilely synthesized noble-metal-free Cu–Cr catalyst

International Nuclear Information System (INIS)

Yan, Kai; Chen, Aicheng

2013-01-01

Biomass-derived platform intermediate furfural and levulinic acid were efficiently hydrogenated to the value-added furfuryl alcohol and promising biofuel γ-valerolactone, respectively, using a noble-metal-free Cu–Cr catalyst, which was facilely and successfully synthesized by a modified co-precipitation method using the cheap metal nitrates. In the first hydrogenation of furfural, 95% yield of furfuryl alcohol was highly selectively produced at 99% conversion of furfural under the mild conditions. For the hydrogenation of levulinic acid, 90% yield of γ-valerolactone was highly selectively produced at 97.8% conversion. Besides, the physical properties of the resulting Cu–Cr catalysts were studied by XRD (X-ray diffraction), EDX (Energy-dispersive X-ray), TEM (Transmission electron microscopy) and XPS (X-ray photoelectron spectroscopy) to reveal their influence on the catalytic performance. Subsequently, different reaction parameters were studied and it was found that Cu 2+ /Cr 3+ ratios (0.5, 1 and 2), reaction temperature (120–220 °C) and hydrogen pressure (35–70 bar) presented important influence on the catalytic activities. In the end, the stability of the Cu–Cr catalysts was also studied. - Highlights: • A noble-metal-free Cu–Cr catalyst was successfully synthesized using metal nitrates. • Cu–Cr catalysts were highly selective hydrogenation of biomass-derived furfural to FA. • Cu–Cr catalysts were efficient for hydrogenation of biomass-derived LA to biofuel GVL. • The physical properties of the resulting Cu–Cr catalysts were systematically studied. • Reaction parameters and stability in the hydrogenation of furfural were studied in details

Physicotechnical, spectroscopic and thermogravimetric properties of powdered cellulose and microcrystalline cellulose derived from groundnut shells

Directory of Open Access Journals (Sweden)

Chukwuemeka P. Azubuike

2012-09-01

Full Text Available α-Cellulose and microcrystalline cellulose powders, derived from agricultural waste products, that have for the pharmaceutical industry, desirable physical (flow properties were investigated. α–Cellulose (GCN was extracted from groundnut shell (an agricultural waste product using a non-dissolving method based on inorganic reagents. Modification of this α -cellulose was carried out by partially hydrolysing it with 2N hydrochloric acid under reflux to obtain microcrystalline cellulose (MCGN. The physical, spectroscopic and thermal properties of the derived α-cellulose and microcrystalline cellulose powders were compared with Avicel® PH 101, a commercial brand of microcrystalline cellulose (MCCA, using standard methods. X-ray diffraction and infrared spectroscopy analysis showed that the α-cellulose had lower crystallinity. This suggested that treatment with 2N hydrochloric acid led to an increase in the crystallinity index. Thermogravimetric analysis showed quite similar thermal behavior for all cellulose samples, although the α-cellulose had a somewhat lower stability. A comparison of the physical properties between the microcrystalline celluloses and the α-cellulose suggests that microcrystalline cellulose (MCGN and MCCA might have better flow properties. In almost all cases, MCGN and MCCA had similar characteristics. Since groundnut shells are agricultural waste products, its utilization as a source of microcrystalline cellulose might be a good low-cost alternative to the more expensive commercial brand.

Synthesis of sulfadiazinyl acyl/aryl thiourea derivatives as calf intestinal alkaline phosphatase inhibitors, pharmacokinetic properties, lead optimization, Lineweaver-Burk plot evaluation and binding analysis.

Science.gov (United States)

Sajid-Ur-Rehman; Saeed, Aamer; Saddique, Gufran; Ali Channar, Pervaiz; Ali Larik, Fayaz; Abbas, Qamar; Hassan, Mubashir; Raza, Hussain; Fattah, Tanzeela Abdul; Seo, Sung-Yum

2018-06-02

To seek the new medicinal potential of sulfadiazine drug, the free amino group of sulfadiazine was exploited to obtain acyl/aryl thioureas using simple and straightforward protocol. Acyl/aryl thioureas are well recognized bioactive pharmacophore containing moieties. A new series (4a-4j) of sulfadiazine derived acyl/aryl thioureas was synthesized and characterized through spectroscopic and elemental analysis. The synthesized derivatives 4a-4j were subjected to calf intestinal alkaline phosphatase (CIAP) activity. The derivative 4a-4j showed better inhibition potential compared to standard monopotassium phosphate (MKP). The compound 4c exhibited higher potential in the series with IC 50 0.251 ± 0.012 µM (standard KH 2 PO 4 4.317 ± 0.201 µM). Lineweaver-Burk plots revealed that most potent derivative 4c inhibition CIAP via mixed type pathway. Pharmacological investigations showed that synthesized compounds 4a-4j obey Lipinsk's rule. ADMET parameters evaluation predicted that these molecule show significant lead like properties with minimum possible toxicity and can serve as templates in drug designing. The synthetic compounds show none mutagenic and irritant behavior. Molecular docking analysis showed that compound 4c interacts with Asp273, His317 and Arg166 amino acid residues. Copyright © 2018. Published by Elsevier Ltd.

Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

Science.gov (United States)

Thomas, Renjith; Hossain, Mossaraf; Mary, Y. Sheena; Resmi, K. S.; Armaković, Stevan; Armaković, Sanja J.; Nanda, Ashis Kumar; Ranjan, Vivek Kumar; Vijayakumar, G.; Van Alsenoy, C.

2018-04-01

Solvent-free synthesis pathway for obtaining two imidazole derivatives (2-chloro-1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole (CLMPDI) and 1-(4-bromophenyl)-2-chloro-4,5-dimethyl-1H-imidazole (BPCLDI) has been reported in this work, followed by detailed experimental and computational spectroscopic characterization and reactivity study. Spectroscopic methods encompassed IR, FT-Raman and NMR techniques, with the mutual comparison of experimentally and computationally obtained results at DFT/B3LYP level of theory. Reactivity study based on DFT calculations encompassed molecular orbitals analysis, followed by calculations of molecular electrostatic potential (MEP) and average local ionization energy (ALIE) values, Fukui functions and bond dissociation energies (BDE). Additionally, the stability of title molecules in water has been investigated via molecular dynamics (MD) simulations, while interactivity with aspulvinonedimethylallyl transferase protein has been evaluated by molecular docking procedure. CLMPDI compound showed antimicrobial activity against all four bacterial strain in both gram positive and gram negative bacteria while, BPCLDI showed only in gram positive bacteria, Staphylococcus Aureus (MTCC1144). The first order hyperpolarizability of CLMPDI and BPCLDI are 20.15 and 6.10 times that of the standard NLO material urea.

Syntheses of F-18 Labeled Fluoroalkyltyrosine Derivatives

Energy Technology Data Exchange (ETDEWEB)

Moon, Byung Seok; Lee, Kyo Chul; Yang, Seung Dae; Chun, Kwon Soo [Korea Institute of Radiological and Medical Sciences, Seoul (Korea, Republic of); Chi, Dae Yoon [Inha Univ., Inchon (Korea, Republic of)

2005-07-01

Positron emission tomography (PET) offers the highest resolution of all nuclear medicine imaging modalities and allows quantitation of tracer concentration in tissues. For more than 60 years, some of C-11 or F-18 labeled amino acids have been synthesized and evaluated for potential use in oncology, neurology and psychiatric disorders. Besides, a variety of radioisotope labeled amino acids have proven to be useful for imaging tumors, especially for brain tumor, lung tumor and breast tumor. These amino acids can be subdivided into two categories. The first category is represented by radiolabled naturally occurring amino acids and structurally similar analogues. Although these radiolabeled amino acids have proven useful in detecting brain and systemic tumors, it is susceptible to in vivo metabolism through multiple pathways that give rise to numerous radiolabled metabolites. On the other side, structurally similar amino acid analogues have some significant advantages over the natural amino acids. These nonnatural amino acids are not metabolized, which simplifieds the kinetic analysis of their uptake. On the basis of the promising results obtained with these nonnatural amino acids in preclinical studies, recent efforts have focused on the development of new F-18 labeled nonnatural amino acids. Recently, O-(2-[{sup 18}F]Fluoroethyl)-L-tyrosine (FET), O-(3-[{sup 18}F]Fluoropropyl)-L-tyrosine (FPT) were developed and evaluated among structurally similar to a new amino acid analogue. FET has shown high uptake in activated inflammatory cells using an experimental acute abscess model and in inflammation within lymph nodes. FPT was superior to FDG and had a slight advantage over FET in the differentiation of tumor from inflammation, and, like FET, it appeared to be a potential amino acid tracer for tumor imaging with PET. In this paper, we elected to introduce fluoroethyl and fluoropropyl groups at the R{sub 1} positions and OCH{sub 3} at R{sub 2} position to the same effect

Synthesis and spectroscopic exploration of carboxylic acid derivatives of 6-hydroxy-1-keto-1,2,3,4-tetrahydrocarbazole: Hydrogen bond sensitive fluorescent probes

International Nuclear Information System (INIS)

Krishna Mitra, Amrit; Ghosh, Sujay; Chakraborty, Suchandra; Basu, Samita; Saha, Chandan

2013-01-01

Two new fluorescent carboxylic acid derivatives having 6-hydroxy-1-keto-1,2,3,4-tetrahydrocarbazole moiety, 2-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yloxy)acetic acid [OTHCA] and 2-(7-methoxy-1-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yloxy)acetic acid [MOTHCA] were synthesized by Japp–Klingemann reaction followed by Fischer indole cyclization. Extensive spectroscopic investigation has been carried out on the compounds in sixteen different aprotic and protic solvents as well as in binary solvent mixtures using absorption, steady-state and time-resolved fluorescence techniques. Fluorescence maxima of the compounds have shifted consistently to longer wavelength in mediums of higher polarity and hydrogen bonding ability. Dipole moment change of the molecules upon photoexcitation has been calculated using Lippert–Mataga theory of solvatochromic shifts. Kamlet–Taft solvatochromic comparison method has been used to determine the dependence of spectral shifts upon empirical solvent parameters. Formation of intermolecular hydrogen bonding of both OTHCA and MOTHCA with protic solvents has been proved by comparing their spectral responses in toluene–acetonitrile and toluene–methanol solvent mixtures. -- Highlights: • The compounds have similar electronic distribution in ground and excited state. • Emission maxima shift towards red with increase in the E T (30) value of the solvents. • Dipole moment change in the excited state is different in protic and aprotic solvents. • OTHCA and MOTHCA form intermolecular hydrogen bond with protic solvents. • Fluorescence lifetime decays are bi-exponential in long chain alcoholic solvents

Syntheses and spectral studies of novel ciprofloxacin derivatives

Directory of Open Access Journals (Sweden)

Pradeep Yadav

2008-12-01

Full Text Available Reaction of 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid (ciprofloxacin with thiazole/benzothiazole diazonium chloride afforded piperazine substituted ciprofloxacin derivative. The acid part of these derivatives was further condensed with various β-diketones to get 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(thiazol-2-yldiazenylpiperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid derivatives (5a-e and 7-(4-(benzo[d]thiazol-2-yldiazenylpiperazin-1-yl-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivatives (5f-j. Structures of these compounds were established on the basis of spectral studies.

A Facile One Step Solution Route to Synthesize Cuprous Oxide Nanofluid

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Shenoy U. Sandhya

2013-05-01

Full Text Available A cuprous oxide nanofluid stabilized by sodium lauryl sulfate, synthesized by using the one step method, has been reported. Nanofluids were synthesized by using a well‐ controlled surfactant‐assisted solution phase synthesis. The method involved reduction of copper acetate by glucose in a mixture of water and ethylene glycol serving as the base fluid. The synthesized fluid was characterized by X‐ray and electron diffraction techniques, in addition, transmission and field emission microscopic techniques and Fourier transform infra red spectroscopic analysis was undertaken. The rheological property, as well as the thermal conductivity of the fluid, were measured. The variation of reaction parameters considerably affected the size of the particles as well as the reaction rate. The uniform dispersion of the particles in the base fluid led to a stability period of three months under stationary state, augmenting the thermal conductivity of the nanofluid. The method is found to be simple, reliable and fast for the synthesis of Newtonian nanofluids containing cuprous oxide nanoparticles.

Synthesis and spectral properties of novel thiadiazolotriazinone derivatives

Directory of Open Access Journals (Sweden)

Gürbüz Demet

2012-01-01

Full Text Available A series of new 7-substitued-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]- triazin-4-oneswere synthesized in good yields by the reaction of 4-amino-3- mercapto-1,2,4-triazin-5(4H-one with various aromatic carboxylic acids in the presence of phosphorus oxychloride. All the synthesized compounds were confirmed by FT-IR, NMR (1H and 13C, ESI-MS spectroscopic techniques and analytical methods.

Synthesis and Fungicidal activity of some sulphide derivatives of O-Ethyl-N-substituted phenylcarbamates

International Nuclear Information System (INIS)

Imeokparia, F.A.

2006-01-01

Monosulphides of O-ethyl-N-substituted phenylcarbamates were prepared by the reaction between O-ethyl-N-substituted phenylcarbamates and sulphur dichloride, while the corresponding disulphides were prepared by the reaction between O-ethyl-N-substituted phenylcarbamates and sulphur monochloride. The synthesized compounds were characterized by elemental analysis, thin layer chromatography (TLC), Fourier-transform infrared, and /sup 1/H and /sup 13/C nuclear magnetic resonance spectroscopic techniques. In vitro fungicidal assay of these sulphides against Fusarium oxysporum, Aspergillus niger, Aspergillus flavus and Rhizopus stolonifer showed that they had Greater fungicidal activity than their parent carbamates. The synthesized sulphides were more active towards A. Niger and A. flavus. Unlike the parent carbamates, the type of substituents attached to the aromatic nucleus of these sulphides had little or no effect on their fungicidal activity as there was insignificant variation in the fungicidal activity of the monosulphide and the disulphide derivatives of O-ethyl-N-substituted phenylcarbamates. (author)

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

Science.gov (United States)

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

2014-05-05

New derivatives of thiosemicarbazone Schiff base with isatin moiety were synthesized L1-L6. The structures of these compounds were characterized based on the spectroscopic techniques. Compound L6 was further characterized by XRD single crystal. The interaction of these compounds with calf thymus (CT-DNA) exhibited high intrinsic binding constant (k(b)=5.03-33.00×10(5) M(-1)) for L1-L3 and L5 and (6.14-9.47×10(4) M(-1)) for L4 and L6 which reflect intercalative activity of these compounds toward CT-DNA. This result was also confirmed by the viscosity data. The electrophoresis studies reveal the higher cleavage activity of L1-L3 than L4-L6. The in vitro anti-proliferative activity of these compounds against human colon cancer cell line (HCT 116) revealed that the synthesized compounds (L3, L6 and L2) exhibited good anticancer potency. Copyright © 2014 Elsevier B.V. All rights reserved.

Lead and copper immobilization in a shooting range soil using soybean stover- and pine needle-derived biochars: Chemical, microbial and spectroscopic assessments

International Nuclear Information System (INIS)

Ahmad, Mahtab; Ok, Yong Sik; Rajapaksha, Anushka Upamali; Lim, Jung Eun; Kim, Byung-Yong; Ahn, Jae-Hyung; Lee, Young Han; Al-Wabel, Mohammad I; Lee, Sung-Eun; Lee, Sang Soo

2016-01-01

Highlights: • Biochar immobilizes Pb and Cu in a contaminated shooting range soil. • Soybean stover-biochar is an efficient metal immobilizer than pine needle-biochar. • Biochar produced at 700 °C showed significant potential of sequestering C in soil. • Biochar showed less impact on the bacterial community than feedstock biomass. - Abstract: Biochar (BC) could be a potential candidate for the remediation of metal contaminated soil. Mechanistic understandings are needed for the appropriate selection of BC and investigating molecular microbial ecological interactions. The soybean stover-derived BCs were more effective in immobilizing Pb (88%) and Cu (87%) than the pine needle-derived BCs in a contaminated shooting range soil. The sequential chemical extractions indicated that BCs stimulated the geochemical transformation of metal species. Spectroscopic investigations using scanning electron microscopic elemental dot mapping and extended X-ray absorption fine structure spectroscopic measurements showed that Pb in the BCs amended soils was immobilized by the formation of stable chloropyromorphite. Soil organic C and microbial activity were also enhanced by BC. The non-labile C fraction in the soil amended with BCs produced at 700 °C was increased. Biochars showed less impact on the bacterial community than feedstock biomass as promulgated by the pyrosequencing of 16S rRNA gene. The feedstock type (namely soybean stover and pine needles) was the main factor influencing the BCs efficacy on metals’ (im) mobilization and bacterial health in soils.

Lead and copper immobilization in a shooting range soil using soybean stover- and pine needle-derived biochars: Chemical, microbial and spectroscopic assessments

Energy Technology Data Exchange (ETDEWEB)

Ahmad, Mahtab [Korea Biochar Research Center & Department of Biological Environment, Kangwon National University, Chuncheon 200-701 (Korea, Republic of); Soil Sciences Department, College of Food and Agricultural Sciences, King Saud University, PO Box 2460, Riyadh 11451 (Saudi Arabia); Ok, Yong Sik; Rajapaksha, Anushka Upamali; Lim, Jung Eun [Korea Biochar Research Center & Department of Biological Environment, Kangwon National University, Chuncheon 200-701 (Korea, Republic of); Kim, Byung-Yong; Ahn, Jae-Hyung [Agricultural Microbiology Division, National Academy of Agricultural Science, Rural Development Administration, Wanju 565-851 (Korea, Republic of); Lee, Young Han [Division of Plant Environment Research, Gyeongsangnam-do Agricultural Research and Extension Service, Jinju 660-360 (Korea, Republic of); Al-Wabel, Mohammad I [Soil Sciences Department, College of Food and Agricultural Sciences, King Saud University, PO Box 2460, Riyadh 11451 (Saudi Arabia); Lee, Sung-Eun, E-mail: selpest@knu.ac.kr [School of Applied Biosciences, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Lee, Sang Soo, E-mail: sslee97@kangwon.ac.kr [Korea Biochar Research Center & Department of Biological Environment, Kangwon National University, Chuncheon 200-701 (Korea, Republic of)

2016-01-15

Highlights: • Biochar immobilizes Pb and Cu in a contaminated shooting range soil. • Soybean stover-biochar is an efficient metal immobilizer than pine needle-biochar. • Biochar produced at 700 °C showed significant potential of sequestering C in soil. • Biochar showed less impact on the bacterial community than feedstock biomass. - Abstract: Biochar (BC) could be a potential candidate for the remediation of metal contaminated soil. Mechanistic understandings are needed for the appropriate selection of BC and investigating molecular microbial ecological interactions. The soybean stover-derived BCs were more effective in immobilizing Pb (88%) and Cu (87%) than the pine needle-derived BCs in a contaminated shooting range soil. The sequential chemical extractions indicated that BCs stimulated the geochemical transformation of metal species. Spectroscopic investigations using scanning electron microscopic elemental dot mapping and extended X-ray absorption fine structure spectroscopic measurements showed that Pb in the BCs amended soils was immobilized by the formation of stable chloropyromorphite. Soil organic C and microbial activity were also enhanced by BC. The non-labile C fraction in the soil amended with BCs produced at 700 °C was increased. Biochars showed less impact on the bacterial community than feedstock biomass as promulgated by the pyrosequencing of 16S rRNA gene. The feedstock type (namely soybean stover and pine needles) was the main factor influencing the BCs efficacy on metals’ (im) mobilization and bacterial health in soils.

Toxicological methods for tracing drug abuse: chromatographic, spectroscopic and biological characterisation of ecstasy derivatives.

Science.gov (United States)

Belhadj-Tahar, Hafid; Payoux, Pierre; Tafani, Mathieu; Coulais, Yvon; Calet, Serge; Bousseksou, Azzedine

2010-03-01

Analysis often reveals variability in the composition of ecstasy pills from pure 3,4-methylenedioxymethamphetamine (MDMA) to mixtures of MDMA derivatives, amphetamine, and other unidentified substances. For a comprehensive toxicological analysis one needs to know all steps to MDMA synthesis which may originate impurities. The aim of this study was to synthesise and determine the chemical-physical and in vitro biological properties of a series of MDMA derivatives.3,4-methylendioxyphenyl-2-nitropropene (MDNP) was obtained by condensation of piperonal with an excess of nitroethane in the presence of ammonium acetate. MDNP was then reduced to methylenedioxyamphetamine (MDA) by LiAlH3. All compounds were analysed using HPLC and spectroscopic technique [Raman, nuclear magnetic resonance (NMR), or infrared (IR)] at all the steps of synthesis. In addition, we assessed the biological potentials of these compounds by measuring in vitro their (i) blood cell/whole blood partition coefficient, (ii) binding to plasmatic proteins (Fbp), and (iii) membrane adsorption. Chemical structure was determined with antibody fluorescence polarisation immunoassay (FPIA). This study showed the presence of solid impurities, particularly of a neurotoxic compound of Al3+ in the final products. FPIA identified the aminoethane group close to the substituted benzene ring, but did not detect the two major precursors of MDMA: MDNP and piperonal. Raman spectroscopy is an attractive alternative technique to characterise ecstasy pills and it can identify stereoisomeric forms such as cis-MDNP and trans-MDNP, which exhibit signals at 1650 cm-1 and 1300 cm-1, respectively.

Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, and DFT calculations of 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate

Science.gov (United States)

El Bakri, Youness; Anouar, El Hassane; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.

2018-01-01

Imidazopyrimidine derivatives are organic synthesized compounds with a pyrimido[1,2-a]benzimidazole as basic skeleton. They are known for their various biological properties and as an important class of compounds in medicinal chemistry. A new 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate derivative of the tilted group has been synthesized and characterized by spectroscopic techniques NMR and FT-IR; and by a single crystal X-ray diffraction. The X-ray results showed that the tricyclic core of the title compound, C12H11N3O·H2O, is almost planar. The molecules stack along the a-axis direction in head-to- tail fashion through π-stacking interactions involving all three rings. The stacks are tied together by direct Csbnd H⋯O hydrogen bonds and by Osbnd H⋯O, Osbnd N⋯N and Csbnd H⋯O hydrogen bonds with the lattice water. DFT calculations at B3LYP/6-311++G(d,p) in gas phase an polarizable continuum model have been carried out to predict the spectral and geometrical data of the tilted compound. The obtained results showed relatively good correlations between the predicted and experimental data with correlation coefficients higher than 98%.

Spectroscopic evaluation of Co(II), Ni(II) and Cu(II) complexes derived from thiosemicarbazone and semicarbazone

Science.gov (United States)

Chandra, Sulekh; Kumar, Anil

2007-12-01

Co(II), Ni(II) and Cu(II) complexes were synthesized with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from 2-acetyl furan. These complexes were characterized by elemental analysis, molar conductance, magnetic moment, mass, IR, electronic and EPR spectral studies. The molar conductance measurement of the complexes in DMSO corresponds to non-electrolytic nature. All the complexes are of high-spin type. On the basis of different spectral studies six coordinated geometry may be assigned for all the complexes except Co(L) 2(SO 4) and Cu(L) 2(SO 4) [where L = L 1 and L 2] which are of five coordinated square pyramidal geometry.

Syntheses of 7-Substituted α-Cyperone Derivatives for Selective Sigma-1 Receptor over Cannabinoid-1 Receptor Binding Affinities

Energy Technology Data Exchange (ETDEWEB)

Park, Juyoung; Shin, Younggyun; Yoon, Sunghwa [Ajou Univ., Suwon (Korea, Republic of); Kim, Keewon; Kwon, Youngbae [ChonBuk National Univ., Jeonju (Korea, Republic of)

2013-11-15

We have successfully synthesized seven α-cyperone derivatives and found that the presence of a hydrogen bond donor/acceptor groups at the C7 position of α-cyperone significantly affects specificity and potency of CB{sub 1} receptor binding affinity over sigma-1 receptor binding affinity. In particular, the presence of the amino moiety at the C7 position of α-cyperone is beneficial for binding to sigmia-1 receptor. The molecular mechanism of compound 8 involved in the high binding affinity to sigma-1 receptor is under investigation. We first synthesized α-cyperone 1 by following the previously reported synthetic routes.15-19 In brief, azeotropic imination of (+)-dihydrocarvone and (R)-(+)-1-phenylethylamine followed by alkylation with a slight excess of ethyl vinyl ketone (EVK) in THF at 40 .deg. C produced the Micheal adduct. The resulting adduct was hydrolyzed and then treated with sodium methoxide at room temperature to give an easily separable mixture of α-cyperone 1 and its side product. Flash chromatography resulted in pure α-cyperone 1 in a 30% yield from (+)-dihydrocarvone.

Complexes cobalt(II, zinc(II and copper(II with some newly synthesized benzimidazole derivatives and their antibacterial activity

Directory of Open Access Journals (Sweden)

S. O. PODUNAVAC-KUZMANOVIC

1999-05-01

Full Text Available The preparation and properties of some complexes of cobalt(II, zinc(II and copper(II with several newly synthesized benzimidazole derivatives (L are reported. The complexes, of the general formula [MCl2L2] (M=Co(II, Zn(II and [CuCl2L(H2O], have a tetrahedral structure. The complexes were characterized by elemental analysis, molar conductivity, magnetic susceptibility measurements, IR and absorption electronic spectra. The antibacterial activitiy of the benzimidazoles and their complexes was evaluated against Erwinia carotovora subsp. carotovora and Erwinia amylovora. The complexes were found to be more toxic than the ligands.

Derivative spectrophotometric determination of trace amounts of Tungsten(VI) in real water samples

International Nuclear Information System (INIS)

Viswanatha, C.; Ramakrishna Reddy, K.; Devanna, N.; Praveen Kumar, M.D.

2012-01-01

2,4-Dimethoxybenzaldehydeisonicotinoylhydrazone (DMBHIH) has been synthesized and characterized with IR, NMR and Mass Spectroscopic methods. A simple and derivative spectrophotometric method has been developed for the determination of trace amounts of W(VI). The reagent forms a yellow coloured water soluble complex with W(VI) in basic medium (pH 8.0). The molar absorptivity and Sandell's sensitivity of coloured species are 3.43 x 10 4 L.mol -1 cm -1 and 0.0049 μg/cm 2 respectively. Beer's law is obeyed in the range 0.4113-6.2138 μg/ml of W(VI) at λ max 394 nm. W(VI) forms 1:1 complex with DMBHIH and stability constant of the complex was 5.22x10 6 . The first and second derivative amplitude was measured at 453 nm and 468 nm. The developed method applied for the determination of W(VI) in alloys and biological samples. (author)

In vitro cytotoxicity and apoptotic inducing activity of the synthesized 4-aryl-4H-chromenes derivatives against human cancer cell lines

Directory of Open Access Journals (Sweden)

Mohagheghi MA

2009-09-01

Full Text Available "n Normal 0 false false false EN-US X-NONE AR-SA MicrosoftInternetExplorer4 /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Table Normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-priority:99; mso-style-qformat:yes; mso-style-parent:""; mso-padding-alt:0in 5.4pt 0in 5.4pt; mso-para-margin:0in; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:11.0pt; font-family:"Calibri","sans-serif"; mso-ascii-font-family:Calibri; mso-ascii-theme-font:minor-latin; mso-fareast-font-family:"Times New Roman"; mso-fareast-theme-font:minor-fareast; mso-hansi-font-family:Calibri; mso-hansi-theme-font:minor-latin; mso-bidi-font-family:Arial; mso-bidi-theme-font:minor-bidi;} Background: 4-Aryl-4H-chromenes are novel anticancer agents which induce apoptosis in cancer cells. These compounds were found to induce apoptosis by targeting the tubulin/microtubule system in cell proliferation process. The aim of this study was to report cyototoxic and apoptosis inducing activities of a new series of synthesized 4-aryl-4H-chromenes compounds."n"n Methods: The in vitro cytotoxic activity of the synthesized 4-aryl-4H-chromenes was investigated against a paned of human cancer cell lines including MCF-7 (breast carcinoma, A549 (lung carcinoma, HEPG-2 (liver carcinoma, SW-480 (colon adenocarcinoma, U87-MG (glioblastoma, 1321N1 (astrocytoma, and DAOY (medulloblastoma. The percentage of growth inhibitory activity was evaluated using MTT colorimetric assay versus controls not treated with test derivatives. The data for etoposide, a well known anticancer drug, was included for comparison. For each compound, the 50% inhibitory concentration (IC50 were determined. Apoptosis inducing activity were assessed by DAPI staining."n"n Results: Preliminary screening showed that those chromenes analogs bearing phenyl-isoxazole-3-yl substitution or the derivatives containing methoxyphenyl in chromene ring exhibited

Characterization of the Materials Synthesized by High Pressure-High Temperature Treatment of a Polymer Derived t-BC₂N Ceramic.

Science.gov (United States)

Matizamhuka, Wallace R; Sigalas, Iakovos; Herrmann, Mathias; Dubronvinsky, Leonid; Dubrovinskaia, Natalia; Miyajima, Nobuyoshi; Mera, Gabriela; Riedel, Ralf

2011-11-29

Bulk B-C-N materials were synthesized under static high thermobaric conditions (20 GPa and 2,000 °C) in a multianvil apparatus from a polymer derived t-BC 1.97 N ceramic. The bulk samples were characterised using X-ray synchrotron radiation and analytical transmission electron microscopy in combination with electron energy loss spectroscopy. Polycrystalline B-C-N materials with a cubic type structure were formed under the applied reaction conditions, but the formation of a ternary cubic diamond-like c-BC₂N compound, could not be unambiguously confirmed.

Solid phase syntheses of oligoureas

Energy Technology Data Exchange (ETDEWEB)

Burgess, K.; Linthicum, D.S.; Russell, D.H.; Shin, H.; Shitangkoon, A.; Totani, R.; Zhang, A.J.; Ibarzo, J. [Texas A& M Univ., College Station, TX (United States)

1997-02-19

Isocyanates 7 were formed from monoprotected diamines 3 or 6, which in turn can be easily prepared from commercially available N-BOC- or N-FMOC-protected amino acid derivatives. Isocyanates 7, formed in situ, could be coupled directly to a solid support functionalized with amine groups or to amino acids anchored on resins using CH{sub 2}Cl{sub 2} as solvent and an 11 h coupling time at 25 {degree}C. Such couplings afforded peptidomimetics with an N-phthaloyl group at the N-terminus. The optimal conditions identified for removal of the N-phthaloyl group were to use 60% hydrazine in DMF for 1-3 h. Several sequences of amino acids coupled to ureas (`peptidic ureas`) and of sequential urea units (`oligoureas`) were prepared via solid phase syntheses and isolated by HPLC. Partition coefficients were measured for two of these peptidomimetics, and their water solubilities were found to be similar to the corresponding peptides. A small library of 160 analogues of the YGGFL-amide sequence was prepared via Houghten`s tea bag methodology. This library was tested for binding to the anti-{beta}-endorphin monoclonal antibody. Overall, this paper describes methodology for solid phase syntheses of oligourea derivatives with side chains corresponding to some of the protein amino acids. The chemistry involved is ideal for high-throughput syntheses and screening operations. 51 refs., 3 figs., 2 tabs.

Raman spectroscopic study of keratin 8 knockdown oral squamous cell carcinoma derived cells

Science.gov (United States)

Singh, S. P.; Alam, Hunain; Dmello, Crismita; Vaidya, Milind M.; Krishna, C. Murali

2012-03-01

Keratins are one of most widely used markers for oral cancers. Keratin 8 and 18 are expressed in simple epithelia and perform both mechanical and regulatory functions. Their expression are not seen in normal oral tissues but are often expressed in oral squamous cell carcinoma. Aberrant expression of keratins 8 and 18 is most common change in human oral cancer. Optical-spectroscopic methods are sensitive to biochemical changes and being projected as novel diagnostic tools for cancer diagnosis. Aim of this study was to evaluate potentials of Raman spectroscopy in detecting minor changes associated with differential level of keratin expression in tongue-cancer-derived AW13516 cells. Knockdown clones for K8 were generated and synchronized by growing under serum-free conditions. Cell pellets of three independent experiments in duplicate were used for recording Raman spectra with fiberoptic-probe coupled HE-785 Raman-instrument. A total of 123 and 96 spectra from knockdown clones and vector controls respectively in 1200-1800 cm-1 region were successfully utilized for classification using LDA. Two separate clusters with classification-efficiency of ~95% were obtained. Leave-one-out cross-validation yielded ~63% efficiency. Findings of the study demonstrate the potentials of Raman spectroscopy in detecting even subtle changes such as variations in keratin expression levels. Future studies towards identifying Raman signals from keratin in oral cells can help in precise cancer diagnosis.

The antioxidant effect of derivatives pyroglutamic lactam

Energy Technology Data Exchange (ETDEWEB)

Rohadi, Atisya; Lazim, Azwani Mat; Hasbullah, Siti Aishah [School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia)

2013-11-27

Diphenylpicrylhydrazyl (DPPH) is widely used for quickly accessing the ability of polyphenols to transfer labile H atoms to radicals. The antioxidant activity of all the synthesized compounds was screened by DPPH method. Compound (4) showed 54% antioxidant potential while all other compounds were found to have moderate to have moderate to mild antioxidant activity ranging from 47–52%. Pyroglutamic lactams have been synthesized stereoselectively in racemic form from levulinic acid as bifunctional adduct using convertible isocyanide in one-pot Ugi 4-center-3-component condensation reaction (U-4C-3CR). The product formed provides biologically interesting products in excellent yields in a short reaction time. The structures of the synthesized compounds were elucidated using spectroscopic data and elemental analysis.

Optical and morphological properties of ZnO- and TiO2-derived nanostructures synthesized via a microwave-assisted hydrothermal method

CSIR Research Space (South Africa)

Moloto, N

2012-01-01

Full Text Available Corporation International Journal of Photoenergy Volume 2012, Article ID 189069, 6 pages doi:10.1155/2012/189069 Research Article Optical and Morphological Properties of ZnO- and TiO2-Derived Nanostructures Synthesized via a Microwave... International Journal of Photoenergy the sol-gel, hydrothermal process, and pulse laser deposition [22?24]. Although the sol-gel method is widely accepted for the preparation of both ZnO and TiO2 nanostructures, the calcinations process is essential and can...

Characterization of the Materials Synthesized by High Pressure-High Temperature Treatment of a Polymer Derived t-BC2N Ceramic

OpenAIRE

Matizamhuka, Wallace R.; Sigalas, Iakovos; Herrmann, Mathias; Dubronvinsky, Leonid; Dubrovinskaia, Natalia; Miyajima, Nobuyoshi; Mera, Gabriela; Riedel, Ralf

2011-01-01

Bulk B-C-N materials were synthesized under static high thermobaric conditions (20 GPa and 2,000 °C) in a multianvil apparatus from a polymer derived t-BC1.97N ceramic. The bulk samples were characterised using X-ray synchrotron radiation and analytical transmission electron microscopy in combination with electron energy loss spectroscopy. Polycrystalline B-C-N materials with a cubic type structure were formed under the applied reaction conditions, but the formation of a ternary cubic diamond...

Synthesis and biological evaluation of phloroglucinol derivatives possessing α-glycosidase, acetylcholinesterase, butyrylcholinesterase, carbonic anhydrase inhibitory activity.

Science.gov (United States)

Burmaoglu, Serdar; Yilmaz, Ali O; Taslimi, Parham; Algul, Oztekin; Kilic, Deryanur; Gulcin, Ilhami

2018-02-01

A series of novel phloroglucinol derivatives were designed, synthesized, characterized spectroscopically and tested for their inhibitory activity against selected metabolic enzymes, including α-glycosidase, acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and human carbonic anhydrase I and II (hCA I and II). These compounds displayed nanomolar inhibition levels and showed K i values of 1.14-3.92 nM against AChE, 0.24-1.64 nM against BChE, 6.73-51.10 nM against α-glycosidase, 1.80-5.10 nM against hCA I, and 1.14-5.45 nM against hCA II. © 2018 Deutsche Pharmazeutische Gesellschaft.

On estimating the background of remote sensing gamma-ray spectroscopic data

Energy Technology Data Exchange (ETDEWEB)

Zhu, Meng-Hua, E-mail: mhzhu@must.edu.mo

2016-10-01

In this paper, we considered the inverse count accumulation process of gamma-ray spectrum and derived an iterative filtering method to estimate the background of noisy spectroscopic data for the remote sensing observations of planetary surface. Compared with the SNIP method, the proposed method avoids the calculation of the average FWHM of the whole spectrum or the peak regions, which is an important parameter for the SNIP method. The synthetic and experimental spectra are used to validate the derived method. The results show that the proposed method can estimate the background efficiently, especially for the spectroscopic data with Compton continuum. In addition, by combining the proposed method and the SNIP method, the average FWHM can be determined easily, which can be used to validate the characteristics of detector.

Analysis of transfer reactions: determination of spectroscopic factors

Energy Technology Data Exchange (ETDEWEB)

Keeley, N. [CEA Saclay, Dept. d' Astrophysique, de Physique des Particules de Physique Nucleaire et de l' Instrumentation Associee (DSM/DAPNIA/SPhN), 91- Gif sur Yvette (France); The Andrzej So an Institute for Nuclear Studies, Dept. of Nuclear Reactions, Warsaw (Poland)

2007-07-01

An overview of the most popular models used for the analysis of direct reaction data is given, concentrating on practical aspects. The 4 following models (in order of increasing sophistication): the distorted wave born approximation (DWBA), the adiabatic model, the coupled channels born approximation, and the coupled reaction channels are briefly described. As a concrete example, the C{sup 12}(d,p)C{sup 13} reaction at an incident deuteron energy of 30 MeV is analysed with progressively more physically sophisticated models. The effect of the choice of the reaction model on the spectroscopic information extracted from the data is investigated and other sources of uncertainty in the derived spectroscopic factors are discussed. We have showed that the choice of the reaction model can significantly influence the nuclear structure information, particularly the spectroscopic factors or amplitudes but occasionally also the spin-parity, that we wish to extract from direct reaction data. We have also demonstrated that the DWBA can fail to give a satisfactory description of transfer data but when the tenets of the theory are fulfilled DWBA can work very well and will yield the same results as most sophisticated models. The use of global rather than fitted optical potentials can also lead to important differences in the extracted spectroscopic factors.

Evaluation of antituberculosis activity and DFT study on dipyrromethane-derived hydrazone derivatives

Science.gov (United States)

Rawat, Poonam; Singh, R. N.; Niranjan, Priydarshni; Ranjan, Alok; Holguín, Norma Rosario Flores

2017-12-01

This paper evaluates the anti-tubercular activity of dipyrromethane-derived hydrazones derivatives (3a-d) against strain of Mycobacterium tuberculosis H37Rv. The newly synthesized compounds have been obtained in good yield based on the condensation of aromatic aldehyde derivatives with pyrrole hydrazone in presence of catalyst and well characterized with spectroscopic methods (1H, 13C NMR, Mass spectrometry) and elemental analysis. The singlet observed in the experimental 1H and 13C NMR spectra in the range of 5.3-5.7 ppm and 30-33.86 ppm, respectively, indicating that two pyrrole units are joined at meso position. The electronic transitions observed in the experimental spectra are n→π* and π →π* in nature. Experimental and theoretical findings corroborate well with each other. The substitution of acceptor group (-NO2) at ortho- and meta-positions of benzene ring, present at meso-position of dipyrromethane is responsible for variation in β0 values. The calculated NLO of (3a-d) are much greater than those of p-nitroaniline (PNA). The solvent induced effects on the non-linear optical properties were studied and found to enhance NLO properties of the molecules as dielectric constants of the solvents increases. On the basis of results it is anticipated that these dipyrromethanes will be useful for both antimicrobial and non-linear optical (NLO) applications. With the help of Microplate Alamar Blue assay (MABA) method all (3a-d) compounds were screened for their anti-tubercular activity and found that 3b and 3d have higher inhibitory activity against strain of M. tuberculosis H37Rv.

Spectroscopic and molecular docking studies on the interaction of human serum albumin with copper(II) complexes

Science.gov (United States)

Guhathakurta, Bhargab; Pradhan, Ankur Bikash; Das, Suman; Bandyopadhyay, Nirmalya; Lu, Liping; Zhu, Miaoli; Naskar, Jnan Prakash

2017-02-01

Two osazone based ligands, butane-2,3-dione bis(2‧-pyridylhydrazone) (BDBPH) and hexane-3,4-dione bis(2‧-pyridylhydrazone) (HDBPH), were synthesized out of the 2:1 M Schiff base condensation of 2-hydrazino pyridine respectively with 2,3-butanedione and 3,4-hexanedione. The X-ray crystal structures of both the ligands have been determined. The copper(II) complex of HDBPH has also been synthesized and structurally characterized. HDBPH and its copper(II) complex have thoroughly been characterized through various spectroscopic and analytical techniques. The X-ray crystal structure of the copper complex of HDBPH shows that it is a monomeric Cu(II) complex having 'N4O2' co-ordination chromophore. Interaction of human serum albumin (HSA) with these ligands and their monomeric copper(II) complexes have been studied by various spectroscopic means. The experimental findings show that the ligands as well as their copper complexes are good HSA binders. Molecular docking investigations have also been done to unravel the mode of binding of the species with HSA.

A Fully Customized Baseline Removal Framework for Spectroscopic Applications.

Science.gov (United States)

Giguere, Stephen; Boucher, Thomas; Carey, C J; Mahadevan, Sridhar; Dyar, M Darby

2017-07-01

The task of proper baseline or continuum removal is common to nearly all types of spectroscopy. Its goal is to remove any portion of a signal that is irrelevant to features of interest while preserving any predictive information. Despite the importance of baseline removal, median or guessed default parameters are commonly employed, often using commercially available software supplied with instruments. Several published baseline removal algorithms have been shown to be useful for particular spectroscopic applications but their generalizability is ambiguous. The new Custom Baseline Removal (Custom BLR) method presented here generalizes the problem of baseline removal by combining operations from previously proposed methods to synthesize new correction algorithms. It creates novel methods for each technique, application, and training set, discovering new algorithms that maximize the predictive accuracy of the resulting spectroscopic models. In most cases, these learned methods either match or improve on the performance of the best alternative. Examples of these advantages are shown for three different scenarios: quantification of components in near-infrared spectra of corn and laser-induced breakdown spectroscopy data of rocks, and classification/matching of minerals using Raman spectroscopy. Software to implement this optimization is available from the authors. By removing subjectivity from this commonly encountered task, Custom BLR is a significant step toward completely automatic and general baseline removal in spectroscopic and other applications.

Comparative study on the antioxidant and anti-Toxoplasma activities of vanillin and its resorcinarene derivative.

Science.gov (United States)

Oliveira, Claudio B S; Meurer, Ywlliane S R; Oliveira, Marianne G; Medeiros, Wendy M T Q; Silva, Francisco O N; Brito, Ana C F; Pontes, Daniel de L; Andrade-Neto, Valter F

2014-05-07

A resorcinarene derivative of vanillin, resvan, was synthesized and characterized by spectroscopic techniques. We measured the cytotoxicity (in vivo and in vitro), antioxidant and anti-Toxoplasma activities of vanillin and the resorcinarene compound. Here we show that vanillin has a dose-dependent behavior with IC50 of 645 µg/mL through an in vitro cytotoxicity assay. However, we could not observe any cytotoxic response at higher concentrations of resvan (IC50 > 2,000 µg/mL). The in vivo acute toxicity assays of vanillin and resvan exhibited a significant safety margin indicated by a lack of systemic and behavioral toxicity up to 300 mg/kg during the first 30 min, 24 h or 14 days after administration. The obtained derivative showed greater antioxidative activity (84.9%) when comparing to vanillin (19.4%) at 1,000 μg/mL. In addition, vanillin presents anti-Toxoplasma activity, while resvan does not show that feature. Our findings suggest that this particular derivative has an efficient antioxidant activity and a negligible cytotoxic effect, making it a potential target for further biological investigations.

Syntheses of 2-nitroimidazole derivatives conjugated with 1,4,7-triazacyclononane-N,N'-diacetic acid labeled with F-18 using an aluminum complex method for hypoxia imaging.

Science.gov (United States)

Hoigebazar, Lathika; Jeong, Jae Min; Lee, Ji-Youn; Shetty, Dinesh; Yang, Bo Yeun; Lee, Yun-Sang; Lee, Dong Soo; Chung, June-Key; Lee, Myung Chul

2012-04-12

Hypoxia imaging is important for diagnosis of ischemic diseases, and thus various (18)F-labeled radiopharmaceuticals have been developed. However, (18)F-labeling requires multistep procedures including azeotropic distillation, which is complicated and difficult to automate. Recently, (18)F-labeling method using Al-F complex in aqueous solution was devised that offered a straightforward (18)F-labeling procedure. We synthesized nitroimidazole derivatives conjugated with 1,4,7-triazacyclononane-1,4-diacetic acid (NODA) that can be labeled with (18)F using Al-F complex and examined their radiochemistries, in vitro and in vivo biological properties, and animal PET imaging characteristics. We found that the synthesized derivatives have excellent (18)F-labeling efficiencies, high stabilities, specific uptakes in cultured hypoxic tumor cells, and high tumor to nontumor ratios in xenografted mice. Furthermore, the derivatives were labeled with (18)F in a straightforward manner within 15 min at high labeling efficiencies and radiochemical purities. In conclusion, (18)F-labeled NODA-nitroimidazole conjugates were developed and proved to be promising hypoxia PET agents. © 2012 American Chemical Society

Interaction Studies between Newly Synthesized Photosensitive Polymer and Ionic Liquids

Directory of Open Access Journals (Sweden)

In Tae Kim

2015-01-01

Full Text Available In this information age, different kinds of photosensitive materials have been used in the manufacture of information storage devices. But these photosensitive materials have the bane of low diffraction efficiency. In order to solve this problem, we have synthesized a novel photosensitive polymer from epoxy-based azopolymers (with three types of azochromophores. Furthermore, we have studied the interaction between this newly synthesized azopolymer and ionic liquids (ILs. For this purpose, we have used the ammonium and imidazolium families of ILs, such as diethylammonium dihydrogen phosphate (DEAP, tributylammonium methyl sulfate (TBMS, triethylammonium 4-aminotoluene-3-sulfonic acid (TASA, and 1-methylimidazolium chloride ([Mim]Cl. To investigate the molecular interaction between azopolymer and ILs, we have used the following spectroscopic methods of analysis: UV-visible spectroscopy, photoluminescence (PL spectroscopy, Fourier transformed infrared spectroscopy (FT-IR, and confocal Raman spectroscopy. In this study, we have developed new photosensitive materials by combining polymer with ILs.

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

International Nuclear Information System (INIS)

Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

2012-01-01

Highlights: ► We study properties of Ph 2 Tz and (PhTz) n Ph as candidates for organic electronics. ► The synthesis of Ph 2 Tz was performed through a modified Pinner-type reaction. ► IR/Raman spectra allowed to conclude that Ph 2 Tz is nearly planar in liquid phase. ► Electronic structure was studied by UV–Vis/TD-DFT methods in different solvents. ► Bandgap, E LUMO , electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph 2 Tz) and some oligomeric derivatives. Ph 2 Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV–Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

Essential oils-oriented fenvalerate analogues: syntheses, characterization and biological evaluation

International Nuclear Information System (INIS)

Su, H.; Li, H.

2016-01-01

A series of essential oils oriented ester derivatives have been designed, synthesized and characterized based on the skeleton of fenvalerate. The preliminary bioassay results indicated that some of the newly synthesized compounds showed better insecticidal activities against Pyrausta nubilalis and Heliothis armigera than that of the control trans-prallethrin chloride. (author)

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

Science.gov (United States)

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

2018-01-01

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

Microwave-assisted convenient syntheses of 2-indolizine derivatives from Morita-Baylis-Hillman adducts: new in silico potential ion channel modulators

International Nuclear Information System (INIS)

Cunha, Saraghina M.D.; Oliveira, Ramon G. de; Vasconcellos, Mario L.A.A.

2013-01-01

In this work, a microwave-assisted synthesis study by microwave irradiation to produce indolizine-2-carbonitrile and indolizine-2-carboxylate in good to high yields (70 and 81%, respectively) in one step from Morita-Baylis-Hillman adducts (MBHA) is presented. These compounds were subsequently transformed to high yields (94 to 100%, respectively) in three 2-indolizine derivatives. The five synthesized compounds were designed in silico aiming to present potential selective activities as ion channel modulators. These activities were suggested by the score values using Molinspiration Cheminformatics program. (author)

Characterization of the Materials Synthesized by High Pressure-High Temperature Treatment of a Polymer Derived t-BC2N Ceramic

Directory of Open Access Journals (Sweden)

Gabriela Mera

2011-11-01

Full Text Available Bulk B-C-N materials were synthesized under static high thermobaric conditions (20 GPa and 2,000 °C in a multianvil apparatus from a polymer derived t-BC1.97N ceramic. The bulk samples were characterised using X-ray synchrotron radiation and analytical transmission electron microscopy in combination with electron energy loss spectroscopy. Polycrystalline B-C-N materials with a cubic type structure were formed under the applied reaction conditions, but the formation of a ternary cubic diamond-like c-BC2N compound, could not be unambiguously confirmed.

Characterization of the Materials Synthesized by High Pressure-High Temperature Treatment of a Polymer Derived t-BC2N Ceramic

Science.gov (United States)

Matizamhuka, Wallace R.; Sigalas, Iakovos; Herrmann, Mathias; Dubronvinsky, Leonid; Dubrovinskaia, Natalia; Miyajima, Nobuyoshi; Mera, Gabriela; Riedel, Ralf

2011-01-01

Bulk B-C-N materials were synthesized under static high thermobaric conditions (20 GPa and 2,000 °C) in a multianvil apparatus from a polymer derived t-BC1.97N ceramic. The bulk samples were characterised using X-ray synchrotron radiation and analytical transmission electron microscopy in combination with electron energy loss spectroscopy. Polycrystalline B-C-N materials with a cubic type structure were formed under the applied reaction conditions, but the formation of a ternary cubic diamond-like c-BC2N compound, could not be unambiguously confirmed. PMID:28824124

Microwave-assisted convenient syntheses of 2-indolizine derivatives from Morita-Baylis-Hillman adducts: new in silico potential ion channel modulators

Energy Technology Data Exchange (ETDEWEB)

Cunha, Saraghina M.D.; Oliveira, Ramon G. de; Vasconcellos, Mario L.A.A., E-mail: mlaav@quimica.ufpb.br [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Departamento de Quimica

2013-03-15

In this work, a microwave-assisted synthesis study by microwave irradiation to produce indolizine-2-carbonitrile and indolizine-2-carboxylate in good to high yields (70 and 81%, respectively) in one step from Morita-Baylis-Hillman adducts (MBHA) is presented. These compounds were subsequently transformed to high yields (94 to 100%, respectively) in three 2-indolizine derivatives. The five synthesized compounds were designed in silico aiming to present potential selective activities as ion channel modulators. These activities were suggested by the score values using Molinspiration Cheminformatics program. (author)

Synthese von organischen und anorganischen Derivativen der Meldrumsäure

OpenAIRE

Al-Sheikh, Ahmad

2004-01-01

This dissertation concerns in the emphasis the synthesis and instrumental-analytic characterisation (NMR, X-ray, IR) of organic and inorganic derivatives of Meldrum's acid. The derivatives of Meldrum's acid classified as: 1.Zwitterionic derivatives of Meldrum's acid. 2. Salt derivatives of Meldrum's acid. 3. Neutral derivatives of Meldrum's acid Die Dissertation beschäftigt sich im Schwerpunkt mit der Synthese und instrumentell-analytischen Charakterisierung (NMR, X-ray, I...

Syntheses of planar 1,5,2,4,6,8-dithiotetrazocine derivatives and thermodynamic study on intermolecular charge transfer for developing efficient organic solar cell

Energy Technology Data Exchange (ETDEWEB)

Zhang, Chao-Zhi, E-mail: zhangchaozhi@nuist.edu.cn [Department of Chemistry, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Shen, Dan [Department of Chemistry, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Yuan, Yang [Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Song, Ming-Xia; Li, Shi-Juan [Department of Chemistry, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Cao, Hui, E-mail: yccaoh@hotmail.com [Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, Nanjing University of Information Science & Technology, Nanjing 210044 (China)

2016-07-01

A series of planar 1,5,2,4,6,8-dithiotetrazocine derivatives were synthesized for study on charge transfer at donor/acceptor interface. The fluorescence quenching spectra, and the highest occupied molecular orbital (−6.10 ∼ −6.25 eV) and the lowest unoccupied molecular orbital (−3.45 ∼ −3.58 eV) energy levels of these 1,5,2,4,6,8-dithiotetrazocine derivatives show that they would be potential acceptor materials. Based on theoretical calculations, thermodynamic study on charge transfer at donor/acceptor interface was carried out. The results of experiments and theoretical calculations show that the electrons could transfer spontaneously from poly(3-hexylthiophene) to these acceptors. The percentages of fluorescence quenching increase with negative Gibbs free energy values increasing in the charge transfer procedures. Therefore, short circuit current values of organic solar cells would increase with the Gibbs free energy values increasing. This paper suggests a useful way for developing efficient organic solar cells. - Highlights: • Syntheses of planar 1,5,2,4,6,8-dithiotetrazocine derivatives for develop effective acceptor. • Electrons at excited state in P3HT could transfer spontaneously to these acceptors. • Thermodynamic study on charge transfer at donor/acceptor interface. • Short circuit currents would be predicted by Gibbs free energy in procedure of charge transfer.

SHORT COMMUNICATION SYNTHESIS AND ANTI ...

African Journals Online (AJOL)

THIADIAZOL DERIVATIVES OF MEFENAMIC ACID ... acid derivatives were synthesized and confirmed by spectroscopic data. ... evaluations indicate that these new compounds showed potent anti-inflammatory activities compare to .... intermediate compound (A) ,this intermediate has a good characteristics like carbonyl.

DFT, spectroscopic studies, NBO, NLO and Fukui functional analysis of 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide

Science.gov (United States)

Zacharias, Adway Ouseph; Varghese, Anitha; Akshaya, K. B.; Savitha, M. S.; George, Louis

2018-04-01

A novel triazole derivative 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide was synthesized and subjected to density functional theory (DFT) studies employing B3LYP/6-31+G(d,p) basis set. Characterization was done by FT-IR, Raman, mass, 1H NMR and 13C NMR spectroscopic analyses. The stability of the molecule was evaluated from NBO studies. Delocalization of electron charge density and hyper-conjugative interactions were accountable for the stability of the molecule. The dipole moment (μ), mean polarizabilty (△α) and first order hyperpolarizability (β) of the molecule were calculated. Molecular electrostatic potential studies, HOMO-LUMO and thermodynamic properties were also determined. HOMO and LUMO energies were experimentally determined by Cyclic Voltammetry.

A comparison of Hipparcos parallaxes with planetary nebulae spectroscopic distances

NARCIS (Netherlands)

Pottasch, [No Value; Acker, A

1998-01-01

The Hipparcos satellite has measured the parallax of a small sample of planetary nebulae. In this paper we consider the results for 3 planetary nebulae (PN) for which spectroscopic distances have also been determined from stellar gravities. These gravities in turn have been derived from profile

Spectroscopic studies on diamond like carbon films synthesized by pulsed laser ablation

Energy Technology Data Exchange (ETDEWEB)

Panda, Madhusmita; Krishnan, R., E-mail: krish@igcar.gov.in; Ravindran, T. R.; Das, Arindam; Mangamma, G.; Dash, S.; Tyagi, A. K. [Material Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam - 603102, Tamil Nadu (India)

2016-05-23

Hydrogen free Diamond like Carbon (DLC) thin films enriched with C-C sp{sup 3} bonding were grown on Si (111) substrates at laser pulse energies varying from 100 to 400 mJ (DLC-100, DLC-200, DLC-300, DLC-400), by Pulsed Laser Ablation (PLA) utilizing an Nd:YAG laser operating at fundamental wavelength. Structural, optical and morphological evolutions as a function of laser pulse energy were studied by micro Raman, UV-Vis spectroscopic studies and Atomic Force Microscopy (AFM), respectively. Raman spectra analysis provided critical clues for the variation in sp{sup 3} content and optical energy gap. The sp{sup 3} content was estimated using the FWHM of the G peak and found to be in the range of 62-69%. The trend of evolution of sp{sup 3} content matches well with the evolution of I{sub D}/I{sub G} ratio with pulse energy. UV-Vis absorption study of DLC films revealed the variation of optical energy gap with laser pulse energy (1.88 – 2.23 eV), which matches well with the evolution of G-Peak position of the Raman spectra. AFM study revealed that roughness, size and density of particulate in DLC films increase with laser pulse energy.

Discovery Strategies of Bioactive Compounds Synthesized by Nonribosomal Peptide Synthetases and Type-I Polyketide Synthases Derived from Marine Microbiomes

Science.gov (United States)

Amoutzias, Grigoris D.; Chaliotis, Anargyros; Mossialos, Dimitris

2016-01-01

Considering that 70% of our planet’s surface is covered by oceans, it is likely that undiscovered biodiversity is still enormous. A large portion of marine biodiversity consists of microbiomes. They are very attractive targets of bioprospecting because they are able to produce a vast repertoire of secondary metabolites in order to adapt in diverse environments. In many cases secondary metabolites of pharmaceutical and biotechnological interest such as nonribosomal peptides (NRPs) and polyketides (PKs) are synthesized by multimodular enzymes named nonribosomal peptide synthetases (NRPSes) and type-I polyketide synthases (PKSes-I), respectively. Novel findings regarding the mechanisms underlying NRPS and PKS evolution demonstrate how microorganisms could leverage their metabolic potential. Moreover, these findings could facilitate synthetic biology approaches leading to novel bioactive compounds. Ongoing advances in bioinformatics and next-generation sequencing (NGS) technologies are driving the discovery of NRPs and PKs derived from marine microbiomes mainly through two strategies: genome-mining and metagenomics. Microbial genomes are now sequenced at an unprecedented rate and this vast quantity of biological information can be analyzed through genome mining in order to identify gene clusters encoding NRPSes and PKSes of interest. On the other hand, metagenomics is a fast-growing research field which directly studies microbial genomes and their products present in marine environments using culture-independent approaches. The aim of this review is to examine recent developments regarding discovery strategies of bioactive compounds synthesized by NRPS and type-I PKS derived from marine microbiomes and to highlight the vast diversity of NRPSes and PKSes present in marine environments by giving examples of recently discovered bioactive compounds. PMID:27092515

Discovery Strategies of Bioactive Compounds Synthesized by Nonribosomal Peptide Synthetases and Type-I Polyketide Synthases Derived from Marine Microbiomes

Directory of Open Access Journals (Sweden)

Grigoris D. Amoutzias

2016-04-01

Full Text Available Considering that 70% of our planet’s surface is covered by oceans, it is likely that undiscovered biodiversity is still enormous. A large portion of marine biodiversity consists of microbiomes. They are very attractive targets of bioprospecting because they are able to produce a vast repertoire of secondary metabolites in order to adapt in diverse environments. In many cases secondary metabolites of pharmaceutical and biotechnological interest such as nonribosomal peptides (NRPs and polyketides (PKs are synthesized by multimodular enzymes named nonribosomal peptide synthetases (NRPSes and type-I polyketide synthases (PKSes-I, respectively. Novel findings regarding the mechanisms underlying NRPS and PKS evolution demonstrate how microorganisms could leverage their metabolic potential. Moreover, these findings could facilitate synthetic biology approaches leading to novel bioactive compounds. Ongoing advances in bioinformatics and next-generation sequencing (NGS technologies are driving the discovery of NRPs and PKs derived from marine microbiomes mainly through two strategies: genome-mining and metagenomics. Microbial genomes are now sequenced at an unprecedented rate and this vast quantity of biological information can be analyzed through genome mining in order to identify gene clusters encoding NRPSes and PKSes of interest. On the other hand, metagenomics is a fast-growing research field which directly studies microbial genomes and their products present in marine environments using culture-independent approaches. The aim of this review is to examine recent developments regarding discovery strategies of bioactive compounds synthesized by NRPS and type-I PKS derived from marine microbiomes and to highlight the vast diversity of NRPSes and PKSes present in marine environments by giving examples of recently discovered bioactive compounds.

Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

Science.gov (United States)

Hossain, Mossaraf; Thomas, Renjith; Mary, Y. Sheena; Resmi, K. S.; Armaković, Stevan; Armaković, Sanja J.; Nanda, Ashis Kumar; Vijayakumar, G.; Van Alsenoy, C.

2018-04-01

Two newly synthetized imidazole derivatives (1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (MPDIA) and 1-(4-bromophenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (BPDIA)) have been prepared by solvent-free synthesis pathway and their specific spectroscopic and reactive properties have been discussed based on combined experimental and computational approaches. Aside of synthesis, experimental part of this work included measurements of IR, FT-Raman and NMR spectra. All of the aforementioned spectra were also obtained computationally, within the framework of density functional theory (DFT) approach. Additionally, DFT calculations have been used in order to investigate local reactivity properties based on molecular orbital theory, molecular electrostatic potential (MEP), average local ionization energy (ALIE), Fukui functions and bond dissociation energy (BDE). Molecular dynamics (MD) simulations have been used in order to obtain radial distribution functions (RDF), which were used for identification of the atoms with pronounced interactions with water molecules. MEP showed negative regions are mainly localized over N28, O29, O35 atoms, it is represent with red colour in rainbow color scheme for MPDIA and BPDIA (which are most reactive sites for electrophilic attack). The first order hyperpolarizabilities of MPDIA and BPDIA are 20.15 and 6.10 times that of the standard NLO material urea. Potential interaction with antihypertensive protein hydrolase.

Spectroscopic properties of a two-dimensional time-dependent Cepheid model. I. Description and validation of the model

Science.gov (United States)

Vasilyev, V.; Ludwig, H.-G.; Freytag, B.; Lemasle, B.; Marconi, M.

2017-10-01

Context. Standard spectroscopic analyses of Cepheid variables are based on hydrostatic one-dimensional model atmospheres, with convection treated using various formulations of mixing-length theory. Aims: This paper aims to carry out an investigation of the validity of the quasi-static approximation in the context of pulsating stars. We check the adequacy of a two-dimensional time-dependent model of a Cepheid-like variable with focus on its spectroscopic properties. Methods: With the radiation-hydrodynamics code CO5BOLD, we construct a two-dimensional time-dependent envelope model of a Cepheid with Teff = 5600 K, log g = 2.0, solar metallicity, and a 2.8-day pulsation period. Subsequently, we perform extensive spectral syntheses of a set of artificial iron lines in local thermodynamic equilibrium. The set of lines allows us to systematically study effects of line strength, ionization stage, and excitation potential. Results: We evaluate the microturbulent velocity, line asymmetry, projection factor, and Doppler shifts. The microturbulent velocity, averaged over all lines, depends on the pulsational phase and varies between 1.5 and 2.7 km s-1. The derived projection factor lies between 1.23 and 1.27, which agrees with observational results. The mean Doppler shift is non-zero and negative, -1 km s-1, after averaging over several full periods and lines. This residual line-of-sight velocity (related to the "K-term") is primarily caused by horizontal inhomogeneities, and consequently we interpret it as the familiar convective blueshift ubiquitously present in non-pulsating late-type stars. Limited statistics prevent firm conclusions on the line asymmetries. Conclusions: Our two-dimensional model provides a reasonably accurate representation of the spectroscopic properties of a short-period Cepheid-like variable star. Some properties are primarily controlled by convective inhomogeneities rather than by the Cepheid-defining pulsations. Extended multi-dimensional modelling

Hybrid Biodegradable Hydrogels Obtained from Nanoclay and Carboxymethylcellulose Polysaccharide: Hydrophilic, Kinetic, Spectroscopic and Morphological Properties.

Science.gov (United States)

Nascimento, Denis W S; de Moura, Márcia R; Mattoso, Luiz H C; Aouada, Fauze A

2017-01-01

In this paper, series of novel nanocomposite hydrogels based on polyacrylamide (PAAm), carboxymethylcellulose (CMC) and nanoclay were synthesized. Hydrophilic, kinetic, spectroscopic and morphological properties were investigated as function of their constituents. Spectroscopic properties confirmed the obtaining of the nanocomposites. It was also observed that the nanocomposites have walls of pores with a more rugged morphology compared with the morphology of the hydrogel without clay, contributing to repel the water molecules. Besides, the results showed that the velocity and quantity of water uptake may be controlled by adjusting of matrix rigidity, i.e., nanoclay content into polymeric matrix. This behavior is required to future application in agriculture fields, specifically as carrier vehicle in controlled release of agrochemicals. Thus, these nanocomposites have technological application.

Syntheses, Protonation Constants and Antimicrobial Activity of 2 ...

African Journals Online (AJOL)

carboxaldehyde and N-alkylimidazole-2-methanol derivatives [alkyl = benzyl, methyl, ethyl, propyl, butyl, heptyl, octyl and decyl] have been synthesized and the protonation constants determined. The antimicrobial properties of the compounds were tested ...

Application of Spectroscopic Methods for Structural Analysis of Chitin and Chitosan

Directory of Open Access Journals (Sweden)

Jolanta Kumirska

2010-04-01

Full Text Available Chitin, the second most important natural polymer in the world, and its N-deacetylated derivative chitosan, have been identified as versatile biopolymers for a broad range of applications in medicine, agriculture and the food industry. Two of the main reasons for this are firstly the unique chemical, physicochemical and biological properties of chitin and chitosan, and secondly the unlimited supply of raw materials for their production. These polymers exhibit widely differing physicochemical properties depending on the chitin source and the conditions of chitosan production. The presence of reactive functional groups as well as the polysaccharide nature of these biopolymers enables them to undergo diverse chemical modifications. A complete chemical and physicochemical characterization of chitin, chitosan and their derivatives is not possible without using spectroscopic techniques. This review focuses on the application of spectroscopic methods for the structural analysis of these compounds.

Souper: A Synthesizing Superoptimizer

OpenAIRE

Sasnauskas, Raimondas; Chen, Yang; Collingbourne, Peter; Ketema, Jeroen; Lup, Gratian; Taneja, Jubi; Regehr, John

2017-01-01

If we can automatically derive compiler optimizations, we might be able to sidestep some of the substantial engineering challenges involved in creating and maintaining a high-quality compiler. We developed Souper, a synthesizing superoptimizer, to see how far these ideas might be pushed in the context of LLVM. Along the way, we discovered that Souper's intermediate representation was sufficiently similar to the one in Microsoft Visual C++ that we applied Souper to that compiler as well. Shipp...

THE YOUNG SOLAR ANALOGS PROJECT. I. SPECTROSCOPIC AND PHOTOMETRIC METHODS AND MULTI-YEAR TIMESCALE SPECTROSCOPIC RESULTS

Energy Technology Data Exchange (ETDEWEB)

Gray, R. O.; Briley, M. M.; Lambert, R. A.; Fuller, V. A.; Newsome, I. M.; Seeds, M. F. [Department of Physics and Astronomy, Appalachian State University, Boone, NC 26808 (United States); Saken, J. M.; Kahvaz, Y. [Department of Physics and Physical Science, Marshall University, Huntington, WV 25755 (United States); Corbally, C. J. [Vatican Observatory Research Group, Steward Observatory, Tucson, AZ 85721-0065 (United States)

2015-12-15

This is the first in a series of papers presenting methods and results from the Young Solar Analogs Project, which began in 2007. This project monitors both spectroscopically and photometrically a set of 31 young (300–1500 Myr) solar-type stars with the goal of gaining insight into the space environment of the Earth during the period when life first appeared. From our spectroscopic observations we derive the Mount Wilson S chromospheric activity index (S{sub MW}), and describe the method we use to transform our instrumental indices to S{sub MW} without the need for a color term. We introduce three photospheric indices based on strong absorption features in the blue-violet spectrum—the G-band, the Ca i resonance line, and the Hydrogen-γ line—with the expectation that these indices might prove to be useful in detecting variations in the surface temperatures of active solar-type stars. We also describe our photometric program, and in particular our “Superstar technique” for differential photometry which, instead of relying on a handful of comparison stars, uses the photon flux in the entire star field in the CCD image to derive the program star magnitude. This enables photometric errors on the order of 0.005–0.007 magnitude. We present time series plots of our spectroscopic data for all four indices, and carry out extensive statistical tests on those time series demonstrating the reality of variations on timescales of years in all four indices. We also statistically test for and discover correlations and anti-correlations between the four indices. We discuss the physical basis of those correlations. As it turns out, the “photospheric” indices appear to be most strongly affected by emission in the Paschen continuum. We thus anticipate that these indices may prove to be useful proxies for monitoring emission in the ultraviolet Balmer continuum. Future papers in this series will discuss variability of the program stars on medium (days–months) and short

Synthesis and antimicrobial evaluation of the new Isoxazole and Pyrazole derivatives

International Nuclear Information System (INIS)

Goda, F.E.; Maarouf, A.R.; El-Bendary, E.R.

2003-01-01

A series of 3-methyl-4-substituted (phenylazo) isoxazolin-5-ones(5a,b),pyrazolin-5-ones (6a-d)and pyrazolidin-3,5-diones(10a-c) have been synthesized and evaluated for their antimicrobial activities.The detailed synthesis , spectroscopic and biogical data are reported. (author)

Spectroscopic follow up of Kepler planet candidates

DEFF Research Database (Denmark)

Latham..[], D. W.; Cochran, W. D.; Marcy, G.W.

2010-01-01

Spectroscopic follow-up observations play a crucial role in the confirmation and characterization of transiting planet candidates identified by Kepler. The most challenging part of this work is the determination of radial velocities with a precision approaching 1 m/s in order to derive masses from...... spectroscopic orbits. The most precious resource for this work is HIRES on Keck I, to be joined by HARPS-North on the William Herschel Telescope when that new spectrometer comes on line in two years. Because a large fraction of the planet candidates are in fact stellar systems involving eclipsing stars...... and not planets, our strategy is to start with reconnaissance spectroscopy using smaller telescopes, to sort out and reject as many of the false positives as possible before going to Keck. During the first Kepler observing season in 2009, more than 100 nights of telescope time were allocated for this work, using...

Newly synthesized benzanthrone derivatives as prospective fluorescent membrane probes

International Nuclear Information System (INIS)

Zhytniakivska, Olga; Trusova, Valeriya; Gorbenko, Galyna; Kirilova, Elena; Kalnina, Inta; Kirilov, Georgiy; Kinnunen, Paavo

2014-01-01

Fluorescence spectral properties of a series of novel benzanthrone derivatives have been explored in lipid bilayers composed of zwitterionic lipid phosphatidylcholine (PC) and its mixtures with cholesterol (Chol) and anionic phospholipid cardiolipin (CL). Analysis of partition coefficients showed that all the examined compounds possess rather high lipid-associating ability, with the amidino derivatives exhibiting stronger membrane partitioning compared with the aminobenzanthrones. To understand how benzanthrone partition properties correlate with their structure, quantitative structure property relationship (QSPR) analysis was performed involving a range of quantum chemical molecular descriptors. -- Highlights: • Benzanthrone partitioning into lipid bilayer correlates with lipophilicity of the dyes. • Partition properties of benzanthrones depend on the dye dipole moment. • Amidino derivatives exhibit higher membrane affinity than aminobenzanthrones

Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives

Science.gov (United States)

Demircioğlu, Zeynep; Özdemir, Fethi Ahmet; Dayan, Osman; Şerbetçi, Zafer; Özdemir, Namık

2018-06-01

Synthesized compounds of N-(2-aminophenyl)benzenesulfonamide 1 and (Z)-N-(2-((2-nitrobenzylidene)amino)phenyl)benzenesulfonamide 2 were characterized by antimicrobial activity, FT-IR, 1H and 13C NMR. Two new Schiff base ligands containing aromatic sulfonamide fragment of (Z)-N-(2-((3-nitrobenzylidene)amino)phenyl)benzenesulfonamide 3 and (Z)-N-(2-((4-nitrobenzylidene)amino)phenyl)benzenesulfonamide 4 were synthesized and investigated by spectroscopic techniques including 1H and 13C NMR, FT-IR, single crystal X-ray diffraction, Hirshfeld surface, theoretical method analyses and by antimicrobial activity. The molecular geometry obtained from the X-ray structure determination was optimized Density Functional Theory (DFT/B3LYP) method with the 6-311++G(d,p) basis set in ground state. From the optimized geometry of the molecules of 3 and 4, the geometric parameters, vibrational wavenumbers and chemical shifts were computed. The optimized geometry results, which were well represented the X-ray data, were shown that the chosen of DFT/B3LYP 6-311G++(d,p) was a successful choice. After a successful optimization, frontier molecular orbitals, chemical activity, non-linear optical properties (NLO), molecular electrostatic mep (MEP), Mulliken population method, natural population analysis (NPA) and natural bond orbital analysis (NBO), which cannot be obtained experimentally, were calculated and investigated.

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

International Nuclear Information System (INIS)

Elhadi, S. A.

2004-09-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Elhadi, S A [Department of Chemistry, Faculty of Education, University of Khartoum, Khartoum (Sudan)

2004-09-01

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

Photocatalytic studies of electrochemically synthesized polysaccharide-functionalized ZnO nanoparticles

Science.gov (United States)

Kaur, Simranjeet; Kaur, Harpreet

2018-05-01

The present work reports the electrochemical synthesis of polysaccharide-functionalized ZnO nanoparticles using sodium hydroxide, starch, and zinc electrodes for the degradation of cationic dye (Rhodamine-B) under sunlight. Physiochemical properties of synthesized sample have been characterized by different techniques such as XRD, TEM, FESEM, EDS, IR, and UV-visible spectroscopic techniques. The influence of various factors such as effect of dye concentration, contact time, amount of photocatalyst, and pH has been studied. The results obtained from the photodegradation study showed that degradation rate of Rhodamine-B dye has been increased with increase of amount of photocatalyst and decreased with increase in initial dye concentration. Furthermore, the kinetics of the degradation has been investigated. It has been found that the photodegradation of Rhodamine-B dye follows pseudo-first-order kinetics and prepared photocatalyst can effectively degrade the cationic dye. Thus, this ecofriendly and efficient photocatalyst can be used for the treatment of dye-contaminated water. This catalyst also showed the antibacterial activity against Bacillus pumilus and Escherichia coli bacterial strains, so the synthesized nanoparticles also have the pharmaceutical properties.

Spectroscopic characterization of low dose rate brachytherapy sources

Science.gov (United States)

Beach, Stephen M.

The low dose rate (LDR) brachytherapy seeds employed in permanent radioactive-source implant treatments usually use one of two radionuclides, 125I or 103Pd. The theoretically expected source spectroscopic output from these sources can be obtained via Monte Carlo calculation based upon seed dimensions and materials as well as the bare-source photon emissions for that specific radionuclide. However the discrepancies resulting from inconsistent manufacturing of sources in comparison to each other within model groups and simplified Monte Carlo calculational geometries ultimately result in undesirably large uncertainties in the Monte Carlo calculated values. This dissertation describes experimentally attained spectroscopic outputs of the clinically used brachytherapy sources in air and in liquid water. Such knowledge can then be applied to characterize these sources by a more fundamental and metro logically-pure classification, that of energy-based dosimetry. The spectroscopic results contained within this dissertation can be utilized in the verification and benchmarking of Monte Carlo calculational models of these brachytherapy sources. This body of work was undertaken to establish a usable spectroscopy system and analysis methods for the meaningful study of LDR brachytherapy seeds. The development of a correction algorithm and the analysis of the resultant spectroscopic measurements are presented. The characterization of the spectrometer and the subsequent deconvolution of the measured spectrum to obtain the true spectrum free of any perturbations caused by the spectrometer itself is an important contribution of this work. The approach of spectroscopic deconvolution that was applied in this work is derived in detail and it is applied to the physical measurements. In addition, the spectroscopically based analogs to the LDR dosimetry parameters that are currently employed are detailed, as well as the development of the theory and measurement methods to arrive at these

Scalar and configuration traces of operators in large spectroscopic spaces

International Nuclear Information System (INIS)

Chang, B.D.; Wong, S.S.M.

1978-01-01

In statistical spectroscopic calculations, the primary input is the trace of products of powers of Hamiltonian and excitation operators. The lack of a systematic approach to trace evaluation has been in the past one of the major difficulties in the applications of statistical spectroscopic methods. A general method with a simple derivation is described here to evaluate the scalar and configuration traces for operators expressed either in the m-scheme or fully coupled JT scheme. It is shown to be an effective method by actually programming it on a computer. Implications on the future applications of statistical spectroscopy in the area of level density, strength function and perturbation theory are also briefly discussed. (Auth.)

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Moral, Monica; Garcia, Gregorio [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Penas, Antonio [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Garzon, Andres; Granadino-Roldan, Jose M. [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Melguizo, Manuel [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Fernandez-Gomez, Manuel, E-mail: mfg@ujaen.es [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain)

2012-10-26

Highlights: Black-Right-Pointing-Pointer We study properties of Ph{sub 2}Tz and (PhTz){sub n}Ph as candidates for organic electronics. Black-Right-Pointing-Pointer The synthesis of Ph{sub 2}Tz was performed through a modified Pinner-type reaction. Black-Right-Pointing-Pointer IR/Raman spectra allowed to conclude that Ph{sub 2}Tz is nearly planar in liquid phase. Black-Right-Pointing-Pointer Electronic structure was studied by UV-Vis/TD-DFT methods in different solvents. Black-Right-Pointing-Pointer Bandgap, E{sub LUMO}, electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph{sub 2}Tz) and some oligomeric derivatives. Ph{sub 2}Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

Spectroscopic and microscopic characterization of silver nanoparticles synthesized using Justicia adhatoda flower

Science.gov (United States)

Singh, Tej; Shekhawat, Dharmender Singh; Jyoti, Kumari

2018-05-01

The synthesis of silver nanoparticles (SNPs) by chemical and physical methods produce harmful products which may cause various environmental problems, thus, there is an increasing demand to use ecofriendly methods. Therefore, biosynthesis of SNPs using Justicia adhatoda flower extract is demonstrated in the present study. The biosynthesized SNPs were characterized by UV-visible spectroscopy, Fourier transform-infrared spectroscopy (FTIR), transmission electron microscopy (TEM), selected area electron diffraction (SAED) and atomic force microscopy (AFM) analysis. The result of UV-visible spectroscopy peaked at 417 nm corresponding to the plasmon absorbance of SNPs. The TEM and SAED result reveals the crystalline nature of SNPs. FTIR spectroscopy used to identify the possible biomolecules responsible for the conversion of silver ions to SNPs. The study concluded that Justicia adhatoda flower extract act as an excellent reducing agent and the green synthesized SNPs are safer to the environment.

Metabolite ratios in 1H MR spectroscopic imaging of the prostate

NARCIS (Netherlands)

Kobus, T.; Wright, A.J.; Weiland, E.; Heerschap, A.; Scheenen, T.W.J.

2015-01-01

In (1)H MR spectroscopic imaging ((1)H-MRSI) of the prostate the spatial distribution of the signal levels of the metabolites choline, creatine, polyamines, and citrate are assessed. The ratio of choline (plus spermine as the main polyamine) plus creatine over citrate [(Cho+(Spm+)Cr)/Cit] is derived

Chemical modification of silica gel with synthesized Schiff base hydrazone derivative and application for preconcentration and separation of U(VI) ions from aqueous solutions

International Nuclear Information System (INIS)

Gamze Karayel Incili; Gul Asiye Aycik

2014-01-01

Schiff base hydrazone derivative (HL) sorbent was synthesized according to the literature to be used in the adsorption and preconcentration of U(VI) ions from aqueous solution and it was exposed to immobilization, and new solid support material was obtained. For this purpose, Schiff base hydrazone derivative (HL) was chemically bonded to silica gel surface immobilized 3-aminopropyl trimethoxysilane, then analyzed by Fourier transform infrared, Brunauer-Emmett-Teller, scanning electron microscopy and elemental analysis. The influence of the solution pH, amount of sorbent, contact time, temperature, foreign ion effect and initial U(VI) concentration was investigated. The maximum U(VI) uptake capacity was found to be 8.46 mg/g. (author)

Usefulness of charge-transfer complexation for the assessment of sympathomimetic drugs: Spectroscopic properties of drug ephedrine hydrochloride complexed with some π-acceptors

Science.gov (United States)

Refat, Moamen S.; Ibrahim, Omar B.; Saad, Hosam A.; Adam, Abdel Majid A.

2014-05-01

Recently, ephedrine (Eph) assessment in food products, pharmaceutical formulations, human fluids of athletes and detection of drug toxicity and abuse, has gained a growing interest. To provide basic data that can be used to assessment of Eph quantitatively based on charge-transfer (CT) complexation, the CT complexes of Eph with 7‧,8,8‧-tetracyanoquinodimethane (TCNQ), dichlorodicyanobenzoquinone (DDQ), 1,3-dinitrobenzene (DNB) or tetrabromothiophene (TBT) were synthesized and spectroscopically investigated. The newly synthesized complexes have been characterized via elemental analysis, IR, Raman, 1H NMR, and UV-visible spectroscopy. The formation constant (KCT), molar extinction coefficient (εCT) and other spectroscopic data have been determined using the Benesi-Hildebrand method and its modifications. The sharp, well-defined Bragg reflections at specific 2θ angles have been identified from the powder X-ray diffraction patterns. Thermal decomposition behavior of these complexes was also studied, and their kinetic thermodynamic parameters were calculated with Coats-Redfern and Horowitz-Metzger equations.

Synthesis and Antifungal Activity of Novel Sulfone Derivatives Containing 1,3,4-Oxadiazole Moieties

Directory of Open Access Journals (Sweden)

Maoguo Tong

2011-11-01

Full Text Available A series of new sulfone compounds containing 1,3,4-oxadiazole moieties were synthesized. The structures of these compounds were confirmed by spectroscopic data (IR, 1H- and 13C-NMR and elemental analyses. Antifungal tests indicated that all the title compounds exhibited good antifungal activities against eight kinds of plant pathogenic fungi, and some showed superiority over the commercial fungicide hymexazol. Among them, compounds 5d, 5e, 5f, and 5i showed prominent activity against B. cinerea, with determined EC50 values of 5.21 μg/mL, 8.25 µg/mL, 8.03 µg/mL, and 21.00 µg/mL, respectively. The present work demonstrates that sulfone derivatives such as 5d containing a 1,3,4-oxadiazole moiety can be used as possible lead compounds for the development of potential agrochemicals.

Photophysical properties of columnar phases formed by triphenylene derivatives

International Nuclear Information System (INIS)

Sigal, Herve

1997-01-01

This research thesis reports the study of the spectroscopic properties and of the migration of excitation energy in the singlet state in columnar phases formed by alkyloxy and alkylthio derivatives of triphenylene. First, the author studied the spectroscopic properties of chromophores in solutions, and characterized excited states by using computation codes (CS-INDO-CIPSI). Then, by using the excitonic theory in the case of the considered triphenylene derivatives, the author studied the influence of molecular movements and of the intra-columnar order on the spectroscopic properties. In some circumstances, the non-radiative transfer of excitation energy is governed by a mechanism displaying a random evolution. This stochastic movement is studied by using Monte Carlo simulations. The author shows that the energy migration is one-dimensional on short times, and then becomes three-dimensional. The evolution of excitation energy in space and in time is determined [fr

Steady-state and time-resolved spectroscopic investigations on intramolecular electron transfer processes within a synthesized methoxynaphthalene dyad by using a nematic liquid crystal medium

International Nuclear Information System (INIS)

Bardhan, Munmun; Mandal, Paulami; De, Asish; Kumar De, Avijit; Chowdhury, Joydeep; Ganguly, Tapan

2010-01-01

UV-vis, steady state and time-resolved spectroscopic investigations were made on photoinduced charge separation and thermal charge recombination processes involved within a novel synthesized dyad, 1-(4-chloro-phenyl)-3-(4-methoxy-naphthalen-1-yl)-propenone (MNCA) where the donor 1-methoxynaphthalene (MNT) and the acceptor p-choloroacetophenone (PCA) moieties are connected by a short unsaturated olefinic bond. The measurements were made within the pseudo-ordered domain (just above nematic-isotropic (N-I) phase transition temperature, >308 K) of a nematic liquid crystal, 4-(n-pentyl)-4'-cyanobiphenyl (5CB). Results observed are compared with those obtained from the similar measurements in isotropic media. The charge separation and recombination rates remain more-or-less unchanged within the experimental error irrespective of the polarity of the environment, whether in pseudo-ordered domain (ε S ∼10.5) of a nematic liquid crystal 5CB or in highly polar isotropic medium ACN (ε S ∼37.5). The structural rigidity of the dyad MNCA having stable elongated form both in the ground as well as in the photoexcited states seems to be the reason for this unique behavior of solvent insensitivity. The theoretical predictions done by ab initio method density functional theory (DFT) with B3LYP/6-311 G (d, p) basis function correlate well with experimental observations of formations of only one stable elongated (E-type) conformer both in the ground and electronic excited state.

Steady-state and time-resolved spectroscopic investigations on intramolecular electron transfer processes within a synthesized methoxynaphthalene dyad by using a nematic liquid crystal medium

Energy Technology Data Exchange (ETDEWEB)

Bardhan, Munmun; Mandal, Paulami; De, Asish; Kumar De, Avijit [Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, West Bengal (India); Chowdhury, Joydeep [Sammilani Mahavidyalaya Baghajatin Station, West Bengal (India); Ganguly, Tapan, E-mail: sptg@mahendra.iacs.res.i [Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, West Bengal (India)

2010-06-15

UV-vis, steady state and time-resolved spectroscopic investigations were made on photoinduced charge separation and thermal charge recombination processes involved within a novel synthesized dyad, 1-(4-chloro-phenyl)-3-(4-methoxy-naphthalen-1-yl)-propenone (MNCA) where the donor 1-methoxynaphthalene (MNT) and the acceptor p-choloroacetophenone (PCA) moieties are connected by a short unsaturated olefinic bond. The measurements were made within the pseudo-ordered domain (just above nematic-isotropic (N-I) phase transition temperature, >308 K) of a nematic liquid crystal, 4-(n-pentyl)-4'-cyanobiphenyl (5CB). Results observed are compared with those obtained from the similar measurements in isotropic media. The charge separation and recombination rates remain more-or-less unchanged within the experimental error irrespective of the polarity of the environment, whether in pseudo-ordered domain (epsilon{sub S}approx10.5) of a nematic liquid crystal 5CB or in highly polar isotropic medium ACN (epsilon{sub S}approx37.5). The structural rigidity of the dyad MNCA having stable elongated form both in the ground as well as in the photoexcited states seems to be the reason for this unique behavior of solvent insensitivity. The theoretical predictions done by ab initio method density functional theory (DFT) with B3LYP/6-311 G (d, p) basis function correlate well with experimental observations of formations of only one stable elongated (E-type) conformer both in the ground and electronic excited state.

Synthesis, spectroscopic and biological studies of transition metal complexes of novel schiff bases derived from amoxicillin and sugars

International Nuclear Information System (INIS)

Naz, N.

2009-01-01

Fe (II), Co (II) and Ni (II) metal complexes of new Schiff bases derived from amoxicillin with sugars (D-Glucose, D-Galactose and D-Mannose) have been synthesized and characterized by elemental analysis, FTIR, electronic absorption, and atomic absorption spectroscopy, magnetic moment measurements and thermal analysis. It has been found that Schiff bases behave as bi-dentate ligands forming complexes with 1:2 (metal:ligand) stoichiometry. The complexes were neutral as confirmed by their low conductance values. The biological applications of complexes have been studied on two gram negative (Escherichia coli and Pseudomonas aeruginosa) and two gram positive (Bacillus subtilis and Staphylococcus aureus) microorganisms by Agar diffusion disc method. It has been found that all the complexes have higher biological activities than the pure amoxicillin. (author)

Selenium nanoparticles synthesized in aqueous extract of Allium sativum perturbs the structural integrity of Calf thymus DNA through intercalation and groove binding

International Nuclear Information System (INIS)

Ezhuthupurakkal, Preedia Babu; Polaki, Lokeswara Rao; Suyavaran, Arumugam; Subastri, Ariraman; Sujatha, Venugopal; Thirunavukkarasu, Chinnasamy

2017-01-01

Biomedical application of selenium nanoparticles (SeNPs) demands the eco-friendly composite for synthesis of SeNPs. The present study reports an aqueous extract of Allium sativum (AqEAS) plug-up the current need. Modern spectroscopic, microscopic and gravimetric techniques were employed to characterize the synthesized nanoparticles. Characterization studies revealed the formation of crystalline spherical shaped SeNPs. FTIR spectrum brings out the presence of different functional groups in AqEAS, which influence the SeNPs formation and stabilization. Furthermore the different aspects of the interaction between SeNPs and CT-DNA were scrutinized by various spectroscopic and cyclic voltametric studies. The results reveals the intercalation and groove binding mode of interaction of SeNPs with stacked base pair of CT-DNA. The Stern–Volmer quenching constant (K SV ) were found to be 7.02 × 10 6 Mˉ 1 (ethidium bromide), 4.22 × 10 6 Mˉ 1 (acridine orange) and 7.6 × 10 6 Mˉ 1 (Hoechst) indicating strong binding of SeNPs with CT–DNA. The SeNPs - CT-DNA interactions were directly visualized by atomic force microscopy. The present study unveils the cost effective, innocuous, highly stable SeNPs intricate mechanism of DNA interaction, which will be a milestone in DNA targeted chemotherapy. - Graphical abstract: Highly stable, innocuous, biocompatible SeNPs nanoparticle has been synthesized using Allium sativum (garlic) extract as reductant. The purity and crystallinity were characterized, further divulge the base pare interaction with Calf –Thymus DNA through various spectroscopic methods and atomic force microscopy. Display Omitted - Highlights: • Synthesis of SeNPs in aqueous extract of Allium sativum. • Characterization of synthesized SeNPs using high throughput techniques. • SeNPs directly interact with CT-DNA through intercalation and groove binding.

Selenium nanoparticles synthesized in aqueous extract of Allium sativum perturbs the structural integrity of Calf thymus DNA through intercalation and groove binding

Energy Technology Data Exchange (ETDEWEB)

Ezhuthupurakkal, Preedia Babu; Polaki, Lokeswara Rao; Suyavaran, Arumugam; Subastri, Ariraman [Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014 (India); Sujatha, Venugopal [Department of Chemistry, Periyar University, Salem 636011 (India); Thirunavukkarasu, Chinnasamy, E-mail: tchinnasamy@hotmail.com [Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014 (India)

2017-05-01

Biomedical application of selenium nanoparticles (SeNPs) demands the eco-friendly composite for synthesis of SeNPs. The present study reports an aqueous extract of Allium sativum (AqEAS) plug-up the current need. Modern spectroscopic, microscopic and gravimetric techniques were employed to characterize the synthesized nanoparticles. Characterization studies revealed the formation of crystalline spherical shaped SeNPs. FTIR spectrum brings out the presence of different functional groups in AqEAS, which influence the SeNPs formation and stabilization. Furthermore the different aspects of the interaction between SeNPs and CT-DNA were scrutinized by various spectroscopic and cyclic voltametric studies. The results reveals the intercalation and groove binding mode of interaction of SeNPs with stacked base pair of CT-DNA. The Stern–Volmer quenching constant (K{sub SV}) were found to be 7.02 × 10{sup 6} Mˉ{sup 1} (ethidium bromide), 4.22 × 10{sup 6} Mˉ{sup 1} (acridine orange) and 7.6 × 10{sup 6} Mˉ{sup 1} (Hoechst) indicating strong binding of SeNPs with CT–DNA. The SeNPs - CT-DNA interactions were directly visualized by atomic force microscopy. The present study unveils the cost effective, innocuous, highly stable SeNPs intricate mechanism of DNA interaction, which will be a milestone in DNA targeted chemotherapy. - Graphical abstract: Highly stable, innocuous, biocompatible SeNPs nanoparticle has been synthesized using Allium sativum (garlic) extract as reductant. The purity and crystallinity were characterized, further divulge the base pare interaction with Calf –Thymus DNA through various spectroscopic methods and atomic force microscopy. Display Omitted - Highlights: • Synthesis of SeNPs in aqueous extract of Allium sativum. • Characterization of synthesized SeNPs using high throughput techniques. • SeNPs directly interact with CT-DNA through intercalation and groove binding.

Structural-conformational aspects of tRNA complexation with chloroethyl nitrosourea derivatives: A molecular modeling and spectroscopic investigation.

Science.gov (United States)

Agarwal, Shweta; Tyagi, Gunjan; Chadha, Deepti; Mehrotra, Ranjana

2017-01-01

Chloroethyl nitrosourea derivatives (CENUs) represent an important family of anticancer chemotherapeutic agents, which are used in the treatment of different types of cancer such as brain tumors, resistant or relapsed Hodgkin's disease, small cell lung cancer and malignant melanoma. This work focuses towards understanding the interaction of chloroethyl nitrosourea derivatives; lomustine, nimustine and semustine with tRNA using spectroscopic approach in order to elucidate their auxiliary anticancer action mechanism inside the cell. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), Fourier transform infrared difference spectroscopy, circular dichroism spectroscopy and UV-visible spectroscopy were employed to investigate the binding parameters of tRNA-CENUs complexation. Results of present study demonstrate that all CENUs, studied here, interact with tRNA through guanine nitrogenous base residues and possibly further crosslink cytosine residues in paired region of tRNA. Moreover, spectral data collected for nimustine-tRNA and semustine-tRNA complex formation indicates towards the groove-directed-alkylation as their anti-malignant action, which involves the participation of uracil moiety located in major groove of tRNA. Besides this, tRNA-CENUs adduct formation did not alter the native conformation of biopolymer and tRNA remains in A-form after its interaction with all three nitrosourea derivatives studied. The binding constants (K a ) estimated for tRNA complexation with lomustine, nimustine and semustine are 2.55×10 2 M -1 , 4.923×10 2 M -1 and 4.223×10 2 M -1 respectively, which specify weak type of CENU's binding with tRNA. Moreover, molecular modeling simulations were also performed to predict preferential binding orientation of CENUs with tRNA that corroborates well with spectral outcomes. The findings, presented here, recognize tRNA binding properties of CENUs that can further help in rational designing of more specific and

In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi.

Science.gov (United States)

Maldonado, Carmen R; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M

2010-10-14

Seven ternary nickel(II) complexes (three previously described and four firstly described here) with an azapurine derivative (the anionic form of 4,6-dimethyl-1,2,3-triazolo[4,5-d]pyrimidin-5,7-dione) have been synthesized and spectroscopically characterized, and the crystal structures of three of them have been solved by X-ray diffraction. Studies in vitro and in vivo on the antiproliferative activity of these complexes against Trypanosoma cruzi (epimastigote, amastigote, and trypomastigote forms) have been carried out, displaying in some cases significantly higher antitrypanosomatid activity and lower toxicity than the reference drug for Chagas' disease, benznidazole (N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide). Ultrastructural analysis and metabolism excretion studies were also executed in order to propose a possible mechanism of action for the assayed drugs.

Analytical expressions for two-nucleon transfer spectroscopic factors in sdg interacting boson model

International Nuclear Information System (INIS)

Devi, Y.D.; Kota, V.K.B.

1991-01-01

Analytical expressions for two-nucleon (l = 0,2 and 4) transfer spectroscopic factors are derived in the SU sdg (3) limit of the sdg interacting boson model. In addition, large N (boson number) limit expressions for the ratio of summed l = 0 transfer strength to excited 0 + states to that of ground state are derived in all the symmetry limits of the sdg model. Some comparisons with data are made. (author)

Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

Science.gov (United States)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.

Synthesis, spectroscopic and biological studies of transition metal complexes of novel schiff bases derived from cephradine and sugars

International Nuclear Information System (INIS)

Naz, N.; Iqbal, M.Z.

2011-01-01

Fe(II), Co(II) and Ni(II) metal complexes of novel schiff bases derived from Cephradine and sugars (D-Glucose, L. Arabinose and D-Galactose) were synthesized and characterized by elemental analysis, magnetic susceptibility, thermal analysis, electronic absorption and FT-IR spectral studies. It has been found that schiff bases behave as bi-dentate-ligands forming complexes with 1:2 (metal:ligand) stoichiometry. the neutral nature of the complexes was confirmed by their low conductance values. The biological activities of complexes have been evaluated against two gram negative (Escherichia coli and Pseudomonas aeruginosa) and two gram positive (Bacillus subtilis and staphylococcus aureus) bacteria by Agar diffusion disc method. It has been found that the complexes have higher activity as compared to the pure Cephradine against the same bacteria. (author)

Synthesis and Cytotoxicity of Novel Hexahydrothienocycloheptapyridazinone Derivatives

Directory of Open Access Journals (Sweden)

Irene Marchesi

2009-09-01

Full Text Available Designed as a new group of tricyclic molecules containing the thienocycloheptapyridazinone ring system, a number of 2N-substituted-hexahydrothienocycloheptapyridazinone derivatives were synthesized and their biological activity evaluated. Among the synthesized compounds, derivatives 7d and 7h were found to possess cytotoxic activity against non-small cell lung cancer and central nervous system cancer cell lines, respectively.

Electrochemical and Spectroscopic Study of Mononuclear Ruthenium Water Oxidation Catalysts: A Combined Experimental and Theoretical Investigation

KAUST Repository

de Ruiter, J. M.; Purchase, R. L.; Monti, A.; van der Ham, C. J. M.; Gullo, M. P.; Joya, K. S.; D'Angelantonio, M.; Barbieri, A.; Hetterscheid, D. G. H.; de Groot, H. J. M.; Buda, F.

2016-01-01

derivatives). The proposed catalytic cycle and intermediates are examined using density functional theory (DFT), radiation chemistry, spectroscopic techniques, and electrochemistry to establish the water oxidation mechanism. The stability of the catalyst

Analytical expressions for two-nucleon transfer spectroscopic factors in sdg interacting boson model

Energy Technology Data Exchange (ETDEWEB)

Devi, Y.D.; Kota, V.K.B. (Physical Research Lab., Ahmedabad (India))

1991-11-01

Analytical expressions for two-nucleon (l = 0,2 and 4) transfer spectroscopic factors are derived in the SU{sub sdg}(3) limit of the sdg interacting boson model. In addition, large N (boson number) limit expressions for the ratio of summed l = 0 transfer strength to excited 0{sup +} states to that of ground state are derived in all the symmetry limits of the sdg model. Some comparisons with data are made. (author).

Systems budgets architecture and development for the Maunakea Spectroscopic Explorer

Science.gov (United States)

Mignot, Shan; Flagey, Nicolas; Szeto, Kei; Murowinski, Rick; McConnachie, Alan

2016-08-01

The Maunakea Spectroscopic Explorer (MSE) project is an enterprise to upgrade the existing Canada-France- Hawaii observatory into a spectroscopic facility based on a 10 meter-class telescope. As such, the project relies on engineering requirements not limited only to its instruments (the low, medium and high resolution spectrographs) but for the whole observatory. The science requirements, the operations concept, the project management and the applicable regulations are the basis from which these requirements are initially derived, yet they do not form hierarchies as each may serve several purposes, that is, pertain to several budgets. Completeness and consistency are hence the main systems engineering challenges for such a large project as MSE. Special attention is devoted to ensuring the traceability of requirements via parametric models, derivation documents, simulations, and finally maintaining KAOS diagrams and a database under IBM Rational DOORS linking them together. This paper will present the architecture of the main budgets under development and the associated processes, expand to highlight those that are interrelated and how the system, as a whole, is then optimized by modelling and analysis of the pertinent system parameters.

Binding behaviors of greenly synthesized silver nanoparticles - Lysozyme interaction: Spectroscopic approach

Science.gov (United States)

Roy, Swarup

2018-02-01

Interaction of greenly synthesized silver nanoparticles (SNP) and lysozyme (Lys) has been studied using spectroscopy. From UV-Vis study it is observed that a moderate association constant (Kapp) of 5.36 × 104 L/mol giving an indication of interaction. Fluorescence emission and time resolved study, confirm static mode of quenching phenomena and the binding constant (Kb) was 25.12, 3.98 and 1.99 × 103 L/mol at 298, 305 and 312 K respectively and the number of binding sites (n) was found to be ∼1. Using temperature dependent fluorimetric data, thermodynamic parameters calculated (Enthalpy change, ΔH = -143.95 kJ/mol, Entropy change, ΔS = -400.32 J/mol/K, Gibbs free energy change, ΔG = -24.66 kJ/mol at 298 K) and resulting insight indicative of weak force (van der Walls interaction & H-bonding) as key feature for the Lys-SNP interaction. By following Förster's non-radiative energy transfer (FRET) theory, average binding distance (r = 3.05 nm) was calculated and observed that nonradiative type energy transfer between SNP and Lys. What is more, circular dichroism (CD) spectra indicates presence of SNP does not display substantial alteration in the secondary structure of Lys. Hence, this results may be very useful for the well thought of essential aspects of binding between the Lys and SNP.

Antioxidant Activity of Novel Fused Heterocyclic Compounds Derived from Tetrahydropyrimidine Derivative.

Science.gov (United States)

Salem, Marwa Sayed; Farhat, Mahmoud; Errayes, Asma Omar; Madkour, Hassan Mohamed Fawzy

2015-01-01

6-(Benzo[d][1,3]dioxol-5-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has been utilized for synthesis of the fused heterocyclic compounds namely thiazolopyrimidines, tetrazolopyrimidine, pyrimidoquinazoline, pyrimidothiazolopyrimidine, pyrimidothiazolotriazine and pyrrolothiazolopyrimidine derivatives. The newly synthesized compounds were characterized by IR, (1)H-NMR, (13)C-NMR, and mass spectral data. Antioxidant activities of all synthesized compounds were investigated.

Spectroscopic studies of 2-thenoyltrifluoro acetonate of uranyl salts doped with europium

International Nuclear Information System (INIS)

Nakagawa, F.T.; Luiz, J.E.M. de Sa; Felinto, M.C.F.C.; Brito, H.F.; Teotonio, E.E.S.

2006-01-01

Uranyl compounds present a great potential as luminescence materials. Some examples of applications are: in laser technology, cathode ray tube, X-rays diagnostic. In this work it was studied the synthesis, characterization and spectroscopic properties study of uranyl 2-thenoyl trifluoroacetonate and uranyl 2- thenoyl trifluoroacetonate doped with europium. The compounds were synthesized and characterized by infrared absorption spectroscopy, thermal analysis, scanning electronic microscopy, and electronic spectroscopy of emission and excitation. The Eu 3+ ion acted as an effective luminescent probe, however the process of energy transfer from UO 2 2+ to Eu 3+ ion has not been efficient. (author)

Positron annihilation spectroscopic studies of solvothermally synthesized ZnO nanobipyramids and nanoparticles

Science.gov (United States)

Ghoshal, Tandra; Biswas, Subhajit; Kar, Soumitra; Chaudhuri, Subhadra; Nambissan, P. M. G.

2008-02-01

Zinc oxide (ZnO) samples in the form of hexagonal-based bipyramids and particles of nanometer dimensions were synthesized through solvothermal route and characterized by x-ray diffraction and transmission electron microscopy. Positron annihilation experiments were performed to study the structural defects such as vacancies and surfaces in these nanosystems. From coincidence Doppler broadening measurements, the positron trapping sites were identified as Zn vacancies or Zn-O-Zn trivacancy clusters. The positron lifetimes, their relative intensities, and the Doppler broadened lineshape parameter S all showed characteristic changes across the nanobipyramid size corresponding to the thermal diffusion length of positrons. In large nanobipyramids, vacancies within the crystallites also trapped positrons and the effects of agglomeration of such vacancies due to increased temperatures of synthesis were reflected in the variation of the annihilation parameters with their base diameters. The sizes of the nanoparticles used were all in the limit of thermal diffusion length of positrons and the annihilation characteristics were in accordance with the decreasing contribution from surfaces with increasing particle size.

Improved Synthesis of 2',6'-Dihydroxy-3,4-dimethoxy Chalcone by Grinding Technique to Synthesize 5-Hydroxy-3',4'-dimethoxy Flavone

Directory of Open Access Journals (Sweden)

Elfi Susanti VH

2014-07-01

Full Text Available 5-hydroxy-3',4'-dimethoxy flavone can be efficiently synthesized in two steps via the formation of 2',6'-dihydroxy-3,4-dimethoxy chalcone with good results. 2',6'-dihydroxy-3,4-dimethoxy chalcone as reactants for synthesis of flavones was prepared through Claisen-Schmidt condensation reaction between 2,6-dihydroxyacetophenones,3,4-dimethoxybenzaldehyde and solid NaOH in mortar for 15 min. The yield of the product (70% is higher than conventional method (65%. This chalcone then oxidatively cyclized with iodine to form 5-hydroxy-3',4'-dimethoxy flavone (yield 62%. Compounds synthesized were characterized by spectroscopic (IR, 1H-NMR, and 13C-NMR.

1,3-Oxazin-6-one Derivatives and Bohemamine-Type Pyrrolizidine Alkaloids from a Marine-Derived Streptomyces spinoverrucosus.

Science.gov (United States)

Fu, Peng; La, Scott; MacMillan, John B

2016-03-25

Two new 1,3-oxazin-6-one derivatives (1 and 2) and six new bohemamine-type pyrrolizidine alkaloids (3-8) were isolated from the marine-derived Streptomyces spinoverrucosus strain SNB-048. Their structures including the absolute configurations were fully elucidated on the basis of spectroscopic analysis, ECD spectra, quantum chemical calculations, and chemical methods. Compounds 1 and 2 possess a γ-lactam moiety and a 1,3-oxazin-6-one system.

Fluorescence quenching of newly synthesized biologically active coumarin derivative by aniline in binary solvent mixtures

International Nuclear Information System (INIS)

Evale, Basavaraj G.; Hanagodimath, S.M.

2009-01-01

The fluorescence quenching of newly synthesized coumarin (chromen-2-one) derivative, 4-(5-methyl-3-furan-2-yl-benzofuran-2-yl)-7-methyl-chromen-2-one (MFBMC) by aniline in different solvent mixtures of benzene and acetonitrile was determined at room temperature (296 K) by steady-state fluorescence measurements. The quenching is found to be appreciable and positive deviation from linearity was observed in the Stern-Volmer (S-V) plots in all the solvent mixtures. This could be explained by static and dynamic quenching models. The positive deviation in the S-V plot is interpreted in terms of ground-state complex formation model and sphere of action static quenching model. Various rate parameters for the fluorescence quenching process have been determined by using the modified Stern-Volmer equation. The sphere of action static quenching model agrees very well with experimental results. The dependence of Stern-Volmer constant K SV , on dielectric constant ε of the solvent mixture suggests that the fluorescence quenching is diffusion-limited. Further with the use of finite sink approximation model, it is concluded that these bimolecular quenching reactions are diffusion-limited. Using lifetime (τ o ) data, the distance parameter R' and mutual diffusion coefficient D are estimated independently.

Novel Organotin(IV) Schiff Base Complexes with Histidine Derivatives: Synthesis, Characterization, and Biological Activity

Science.gov (United States)

Garza-Ortiz, Ariadna; Camacho-Camacho, Carlos; Sainz-Espuñes, Teresita; Rojas-Oviedo, Irma; Gutiérrez-Lucas, Luis Raúl; Gutierrez Carrillo, Atilano; Vera Ramirez, Marco A.

2013-01-01

Five novel tin Schiff base complexes with histidine analogues (derived from the condensation reaction between L-histidine and 3,5-di-tert-butyl-2-hydroxybenzaldehyde) have been synthesized and characterized. Characterization has been completed by IR and high-resolution mass spectroscopy, 1D and 2D solution NMR (1H, 13C  and 119Sn), as well as solid state 119Sn NMR. The spectroscopic evidence shows two types of structures: a trigonal bipyramidal stereochemistry with the tin atom coordinated to five donating atoms (two oxygen atoms, one nitrogen atom, and two carbon atoms belonging to the alkyl moieties), where one molecule of ligand is coordinated in a three dentate fashion. The second structure is spectroscopically described as a tetrahedral tin complex with four donating atoms (one oxygen atom coordinated to the metal and three carbon atoms belonging to the alkyl or aryl substituents), with one molecule of ligand attached. The antimicrobial activity of the tin compounds has been tested against the growth of bacteria in vitro to assess their bactericidal properties. While pentacoordinated compounds 1, 2, and 3 are described as moderate effective to noneffective drugs against both Gram-positive and Gram-negative bacteria, tetracoordinated tin(IV) compounds 4 and 5 are considered as moderate effective and most effective compounds, respectively, against the methicillin-resistant Staphylococcus aureus strains (Gram-positive). PMID:23864839

A Spectroscopic and Electrochemical Investigation of Interactions of Anticancer Uracil Derivatives with Cationic and Anionic Surfactants

International Nuclear Information System (INIS)

Zafar, F.; Shah, A.; Ahmad, Z.; Siddiq, M.; Ali, S.; Asad Muhammad Khan, A. M.; Rana, U. A.

2015-01-01

Interactions of 5-fluorouracil (5-FU), a commercially available anti-cancer drug and two other possibly anti-cancer actives, 2-thiouracil (2-TU) and 2,4-dithiouracil (DTU), with anionic sodium dodecyl sulphate (SDS) and cationic cetlytrimethyl ammonium bromide (CTAB) surfactants were studied using cyclic voltammetry and UV-Visible spectroscopic techniques. The results from both techniques asserted the formation of complex between the drugs and surfactants. In the pre-micellar concentrations, the binding was mainly due to the interactions between the surfactants monomers (electrostatic) and the drug molecules, while in the post-micellar region, drug was encapsulated within the micelle due to electrostatic as well as hydrophobic interactions. The UV-Visible spectroscopic data of the interaction between 5-fluorouracil and the surfactants exhibited an isobestic point which indicated the presence of equilibrium species in bulk and the micellar phase. Binding constant, partition coefficient between bulk and miceller phase, and the number of drug molecules incorporated per micelle were calculated. (author)

Shell model and spectroscopic factors

International Nuclear Information System (INIS)

Poves, P.

2007-01-01

In these lectures, I introduce the notion of spectroscopic factor in the shell model context. A brief review is given of the present status of the large scale applications of the Interacting Shell Model. The spectroscopic factors and the spectroscopic strength are discussed for nuclei in the vicinity of magic closures and for deformed nuclei. (author)

Green Production of Indolylquinones, Derivatives of Perezone, and Related Molecules, Promising Antineoplastic Compounds

Directory of Open Access Journals (Sweden)

René Gerardo Escobedo-González

2016-01-01

Full Text Available A green approach to produce the indolyl derivatives from four natural quinones (perezone, isoperezone, menadione, and plumbagin was performed; in this regard, a comparative study was accomplished among the typical mantle heating and three nonconventional activating modes of reaction (microwave, near-infrared, and high speed ball milling or tribochemical, under solventless conditions and using bentonitic clay as a catalyst. In addition, the tribochemical production of isoperezone from perezone is also commented on. It is also worth noting that the cytotoxicity of the synthesized indolylquinones in human breast cancer cell was tested by 3-(4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide assay, with the 3-indolylisoperezone being the most active. The structural attribution of the target molecules was performed by typical spectroscopic procedures; moreover, the experimental and computed 1H and 13C NMR chemical shifts data, with previous acquisition of the corresponding minimum energetic structures, were in good agreement.

Synthesis and solar-cell applications of novel furanyl-substituted anthracene derivatives

Science.gov (United States)

Kivrak, Arif; Er, Ömer Faruk; Kivrak, Hilal; Topal, Yasemin; Kuş, Mahmut; Çamlısoy, Yesim

2017-11-01

At present, novel furanyl-substituted anthracene derivatives; namely 9,10-di(furan-2-yl)anthracene (DFA), 5,5‧-(anthracene-9,10-diyl)bis(furan-2-carbaldehyde) (DAFA) and 2,2‧-((5,5‧-(anthracene-9,10-diyl)bis(furan-5,2-diyl))bis(methanylylidene))dimalononitrile (DCNFA) were designed and synthesized successfully by employing Stille Cross-Coupling, Vilsmeier-Haack and Knoevenagel condensation reactions, respectively. This methodology provides a practical new route for the synthesis of furanyl-substituted anthracene derivatives bearing strong electron-withdrawing groups. The electrochemical and electro-optical properties of these novel furanyl-substituted anthracene derivatives were also examined with strong acceptor-π-donor-π-acceptor interactions. Furthermore, Highest occupied molecular orbital (HOMO), Lowest Unoccupied molecular orbital (LUMO), and band gap (Eg) values were investigated by using spectroscopic methods. Electrochemical and electro-optical properties were calculated and compared to DFA, DAFA and DCNFA. Eg was found as 2.85, 2.71, and 2.33 eV, respectively. Consequently, Organic Solar Cells (OSC) were fabricated to investigate their solar cell performances. The strong electron withdrawing groups did not increase the solar cell performance of furanyl-anthracenes. Surprisingly, DFA was found to exhibit the best OSCs performance (Efficiency = 3.36). As a result, one could note that these novel furanyl-substituted anthracene derivatives are good candidate for the applications of the OSCs. Our results might help in the development of new materials with important electrochemical functions by giving the advantage of designing and further derivatization of new generation small organic molecules for photovoltaic device applications.

Synthesis and anti-bacterial activity of novel 1,3-phenylene-bis-N-acetyl-and N-phenylenepyrazole derivatives

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Gökçe Demir

2017-04-01

Full Text Available The 1,1'-(5,5'-(1,3-phenylenebis(3-aryl-4,5-dihydro-1H-pyrazole-5,1-diyldi-ethanone (5a-e and 1,3-bis(1-phenyl-3-(aryl-4,5-dihydro-1H-pyrazol-5-ylbenzene (6a-e were synthesized by addition of hydrazine hydrate and/or phenylhydrazine to 1,3-phenylene-bis-chalcone derivatives (3a-e, respectively. The structures of obtained compounds (5a-e and 6a-e were characterized using the spectroscopic methods (NMR, IR and elemental analysis. Addition, the in vitro antibacterial activities of compounds (5a-e was tested against the five human pathogenic bacteria. Gentamycin and Fluconazole were used as positive control. The results were given as inhibition zone (mm and the compounds 5d and 5e showed the same activity with standard (Fluconazole against C. albinas.

Microwave-Assisted Syntheses of Bioactive Seven-Membered, Macro-Sized Heterocycles and Their Fused Derivatives

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Mohsine Driowya

2016-08-01

Full Text Available This review describes the recent advances in the microwave-assisted synthesis of 7-membered and larger heterocyclic compounds. Several types of reaction for the cyclization step are discussed: Ring Closing Metathesis (RCM, Heck and Sonogashira reactions, Suzuki-Miyaura cross-coupling, dipolar cycloadditions, multi-component reactions (Ugi, Passerini, etc. Green syntheses and solvent-free procedures have been introduced whenever possible. The syntheses discussed herein have been selected to illustrate the huge potential of microwave in the synthesis of highly functionalized molecules with potential therapeutic applications, in high yields, enhanced reaction rates and increased chemoselectivity, compared to conventional methods. More than 100 references from the recent literature are listed in this review.

Synthesis and Antimicrobial Studies of Some Novel Pyrazoline and Isoxazoline Derivatives

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S. B. jadhav

2009-01-01

Full Text Available A new series of 1H-3-(4’-substituted phenyl-5-(6’’-methoxy napthaline-2-pyrazolines (4a-e and 1H-3-(4’-substituted phenyl-5-(6’’-methoxynapthaline-2-isoxazolines (5a-e were synthesized by reacting 1-(4’-substituted phenyl-3-(6’’-methoxynapthaline-2-propene-1-one (3a-e with hydrazine hydrate and hydroxylamine hydrochloride respectively. All these compounds were characterized by means of their IR, 1H NMR, spectroscopic data and microanalysis. All the synthesized products were evaluated for their antimicrobial activity. All the compounds exhibited significant to moderate antimicrobial activity.

A newly synthesized macakurzin C-derivative attenuates acute and chronic skin inflammation: The Nrf2/heme oxygenase signaling as a potential target

Energy Technology Data Exchange (ETDEWEB)

Akram, Muhammad [College of Pharmacy Institute of Pharmaceutical Science and Technology, Hanyang University, Ansan (Korea, Republic of); Shin, Iljin [College of Pharmacy and Research Institute of Pharmaceutical Science and Technology (RIPST), Ajou University, Suwon (Korea, Republic of); Kim, Kyeong-A; Noh, Dabi [College of Pharmacy Institute of Pharmaceutical Science and Technology, Hanyang University, Ansan (Korea, Republic of); Baek, Seung-Hoon; Chang, Sun-Young [College of Pharmacy and Research Institute of Pharmaceutical Science and Technology (RIPST), Ajou University, Suwon (Korea, Republic of); Kim, Hyoungsu, E-mail: hkimajou@ajou.ac.kr [College of Pharmacy and Research Institute of Pharmaceutical Science and Technology (RIPST), Ajou University, Suwon (Korea, Republic of); Bae, Ok-Nam, E-mail: onbae@hanyang.ac.kr [College of Pharmacy Institute of Pharmaceutical Science and Technology, Hanyang University, Ansan (Korea, Republic of)

2016-09-15

Impaired immune responses in skin play a pivotal role in the development and progression of chemical-associated inflammatory skin disorders. In this study, we synthesized new flavonoid derivatives from macakurzin C, and identified in vitro and in vivo efficacy of a potent anti-inflammatory flavonoid, Compound 14 (CPD 14), with its underlying mechanisms. In lipopolysaccharide (LPS)-stimulated murine macrophages and IFN-γ/TNF-α-stimulated human keratinocytes, CPD 14 significantly inhibited the release of inflammatory mediators including nitric oxide (NO), prostaglandins, and cytokines (IC{sub 50} for NO inhibition in macrophages: 4.61 μM). Attenuated NF-κB signaling and activated Nrf2/HO-1 pathway were responsible for the anti-inflammatory effects of CPD 14. The in vivo relevance was examined in phorbol 12-myristate 13-acetate (TPA)-induced acute skin inflammation and oxazolone-induced atopic dermatitis models. Topically applied CPD 14 significantly protected both irritation- and sensitization-associated skin inflammation by suppressing the expression of inflammatory mediators. In summary, we demonstrated that a newly synthesized flavonoid, CPD 14, has potent inhibitory effects on skin inflammation, suggesting it is a potential therapeutic candidate to treat skin disorders associated with excessive inflammation. - Highlights: • An anti-inflammatory flavonoid CPD 14 was newly synthesized from macakurzin C. • CPD 14 potently inhibited inflammatory reaction in keratinocytes and macrophages. • Dermal toxicity by irritation or sensitization in rats was protected by CPD 14. • Attenuated NF-κB and activated Nrf2/HO-1 were main mechanisms of CPD 14 action.

Studies on magnetic properties of chemically synthesized crystalline calcium ferrite nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Debnath, A., E-mail: debnathanimesh@gmail.com [Department of Civil Engineering, National Institute of Technology Agartala, Jirania, West Tripura, 799046 India (India); Bera, A.; Saha, B. [Department of Physics, National Institute of Technology Agartala, Jirania, West Tripura 799046 (India); Chattopadhyay, K. K. [Department of Physics, Jadavpur University, Kolkata 700 032 (India)

2016-05-23

Spinel-type ferrites have taken a very important role for modern electronic industry. Most of these ferrites exhibit low-loss dielectric properties, high resistivity, low eddy current and also high temperature ferromagnetism. Calcium ferrite is one such important metal oxide which is environmentally safe, chemically stable, low cost and greatly abundant. This outstanding material of calcium ferrite is synthesized by a simple chemical precipitation method using NaOH as the precipitating agent. Ferric chloride anhydrous (FeCl{sub 3}) and Calcium chloride dihydrate (CaCl{sub 2}.2H{sub 2}O) were used as iron and calcium sources respectively. The samples were heated at 200°C for 8h to obtain homogeneous powder of Calcium ferrite. The powders were characterized by using X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Transmission electrical microscopy (TEM), and Fourier transform infrared spectroscopic (FTIR) measurements. The polycrystalline nature of the sample was confirmed by X-ray diffraction study. The magnetic properties of the sample were investigated by vibrating sample magnetometer (VSM) measurements. Magnetization curve of the prepared sample depicts that as synthesized calcium ferrite nanoparticles have saturation magnetic moment of 1.74 emu/g and the coercivity of 35.08 Oe with superparamagnetic behavior. The synthesized calcium ferrite nanoparticles with such magnetic properties will be a candidate material for different applications in electronics and exploring its functionality in the field of recently developing semiconductor device physics and spintronics.

Studies on magnetic properties of chemically synthesized crystalline calcium ferrite nanoparticles

International Nuclear Information System (INIS)

Debnath, A.; Bera, A.; Saha, B.; Chattopadhyay, K. K.

2016-01-01

Spinel-type ferrites have taken a very important role for modern electronic industry. Most of these ferrites exhibit low-loss dielectric properties, high resistivity, low eddy current and also high temperature ferromagnetism. Calcium ferrite is one such important metal oxide which is environmentally safe, chemically stable, low cost and greatly abundant. This outstanding material of calcium ferrite is synthesized by a simple chemical precipitation method using NaOH as the precipitating agent. Ferric chloride anhydrous (FeCl_3) and Calcium chloride dihydrate (CaCl_2.2H_2O) were used as iron and calcium sources respectively. The samples were heated at 200°C for 8h to obtain homogeneous powder of Calcium ferrite. The powders were characterized by using X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Transmission electrical microscopy (TEM), and Fourier transform infrared spectroscopic (FTIR) measurements. The polycrystalline nature of the sample was confirmed by X-ray diffraction study. The magnetic properties of the sample were investigated by vibrating sample magnetometer (VSM) measurements. Magnetization curve of the prepared sample depicts that as synthesized calcium ferrite nanoparticles have saturation magnetic moment of 1.74 emu/g and the coercivity of 35.08 Oe with superparamagnetic behavior. The synthesized calcium ferrite nanoparticles with such magnetic properties will be a candidate material for different applications in electronics and exploring its functionality in the field of recently developing semiconductor device physics and spintronics.

Mg co-ordination with potential carcinogenic molecule acrylamide: Spectroscopic, computational and cytotoxicity studies

Science.gov (United States)

Singh, Ranjana; Mishra, Vijay K.; Singh, Hemant K.; Sharma, Gunjan; Koch, Biplob; Singh, Bachcha; Singh, Ranjan K.

2018-03-01

Acrylamide (acr) is a potential toxic molecule produced in thermally processed food stuff. Acr-Mg complex has been synthesized chemically and characterized by spectroscopic techniques. The binding sites of acr with Mg were identified by experimental and computational methods. Both experimental and theoretical results suggest that Mg coordinated with the oxygen atom of Cdbnd O group of acr. In-vitro cytotoxicity studies revealed significant decrease in the toxic level of acr-Mg complex as compared to pure acr. The decrease in toxicity on complexation with Mg may be a useful step for future research to reduce the toxicity of acr.

An ultrafast spectroscopic and quantum mechanical investigation of multiple emissions in push-pull pyridinium derivatives bearing different electron donors.

Science.gov (United States)

Carlotti, B; Benassi, E; Cesaretti, A; Fortuna, C G; Spalletti, A; Barone, V; Elisei, F

2015-08-28

A joint experimental and theoretical approach, involving state-of-the-art femtosecond fluorescence up-conversion measurements and quantum mechanical computations including vibronic effects, was employed to get a deep insight into the excited state dynamics of two cationic dipolar chromophores (Donor-π-Acceptor(+)) where the electron deficient portion is a N-methyl pyridinium and the electron donor a trimethoxyphenyl or a pyrene, respectively. The ultrafast spectroscopic investigation, and the time resolved area normalised emission spectra in particular, revealed a peculiar multiple emissive behaviour and allowed the distinct emitting states to be remarkably distinguished from solvation dynamics, occurring in water in a similar timescale. The two and three emissions experimentally detected for the trimethoxyphenyl and pyrene derivatives, respectively, were associated with specific local emissive minima in the potential energy surface of S1 on the ground of quantum-mechanical calculations. A low polar and planar Locally Excited (LE) state together with a highly polar and Twisted Intramolecular Charge Transfer (TICT) state is identified to be responsible for the dual emission of the trimethoxyphenyl compound. Interestingly, the more complex photobehaviour of the pyrenyl derivative was explained considering the contribution to the fluorescence coming not only from the LE and TICT states but also from a nearly Planar Intramolecular Charge Transfer (PICT) state, with both the TICT and the PICT generated from LE by progressive torsion around the quasi-single bond between the methylpyridinium and the ethene bridge. These findings point to an interconversion between rotamers for the pyrene compound taking place in its excited state against the Non-equilibrated Excited Rotamers (NEER) principle.

Heme polymerization inhibition activity (HPIA) assay of synthesized xanthone derivative as antimalarial compound

Science.gov (United States)

Fitriastuti, Dhina; Jumina, Priatmoko

2017-03-01

Xanthone is a phenolic secondary metabolite of Garcinia and Calophyllum herbs which has been clinically proven to display anti malaria activity. In the present paper, 2,3,4-trihydroxy-5-methyl xanthone which has been synthesized from gallic acid and o-cresol in Eaton's reagent was tested for its activity as antimalarial. Thus, HPIA assay of the synthesized xanthones was successfully conducted. The HPIA assay was carried out towards the xanthone, chloroquine diphosphate as positive control and distilled water as negative control in various concentration. The samples were reacted with hematin (ferriprotoporphyrin IX hydroxide) and the absorbance of the precipitate was observed by using Elisa reader. The results of HPIA assay showed that 2,3,4-trihydroxy-5-methyl xanthone and chloroquine have IC50 values of 0.755 and 1.462 mg/mL or 2.92 and 4.57 mM, respectively. 2,3,4-Trihydroxy-5-methyl xanthone displayed better antimalarial activity than chloroquine.

Novel piperonal 1,3,4-thiadiazolium-2-phenylamines mesoionic derivatives: Synthesis, tyrosinase inhibition evaluation and HSA binding study.

Science.gov (United States)

Lopes, Natália Drumond; Chaves, Otávio Augusto; de Oliveira, Márcia C C; Sant'Anna, Carlos Mauricio R; Sousa-Pereira, Danilo; Netto-Ferreira, José Carlos; Echevarria, Aurea

2018-06-01

A novel series of piperonal mesoionic derivatives (PMI 1-6) was synthesized. Tyrosinase inhibition in the presence of PMI-1, -2, -3, -4, -5 and -6 as well as human serum albumin (HSA) binding studies with PMI-5 and PMI-6 were done by spectroscopic and theoretical methods. The mesoionic compound PMI-5 is the most promising tyrosinase inhibitor with a noncompetitive inhibitory mechanism and an IC 50 =124μmolL -1 . In accordance with the kinetic profile, molecular docking results show that PMI-5 is able to interact favorably with the tyrosinase active site containing the substrate molecule, L-DOPA, interacting with Val-247, Phe-263 and Val-282 residues. The spectroscopic results for the interaction HSA:PMI-5 and HSA:PMI-6 indicated that these mesoionic compounds can associate with HSA in the ground state and energy transfer can occur with high probability. The binding was moderate, spontaneous and can perturb significantly the secondary structure of the albumin. The molecular docking results suggest that PMI-5 and PMI-6 are able to be accommodated inside the Sudlow's site I in HSA, interacting with hydrophobic and hydrophilic amino acid residues. Copyright © 2018 Elsevier B.V. All rights reserved.

Electrochemical and Spectroscopic Characterization of Aluminium(III-para-methyl-meso-tetraphenylporphyrin Complexes Containing Substituted Salicylates as Axial Ligands

Directory of Open Access Journals (Sweden)

Gauri D. Bajju

2013-01-01

Full Text Available A series of aluminium(III-p-methyl-meso-tetraphenylporphyrin (p-CH3TPP-Al(III containing axially coordinated salicylate anion [p-CH3TPP-Al-X], where X = salicylate (SA, 4-chlorosalicylate (4-CSA, 5-chlorosalicylate (5-CSA, 5-flourosalicylate (5-FSA, 4-aminosalicylate (4-ASA, 5-aminosalicylate (5-ASA, 5-nitrosalicylate (5-NSA, and 5-sulfosalicylate (5-SSA, have been synthesized and characterized by various spectroscopic techniques including ultraviolet-visible (UV-vis, infrared (IR spectroscopy, proton nuclear magnetic resonance (1H NMR spectroscopy, 13C NMR, and elemental analysis. A detailed study of electrochemistry of all the synthesized compounds has been done to compare their oxidation and reduction mechanisms and to explain the effect of axial coordination on their redox properties.

The interaction of new piroxicam analogues with lipid bilayers--a calorimetric and fluorescence spectroscopic study.

Science.gov (United States)

Maniewska, Jadwiga; Szczęśniak-Sięga, Berenika; Poła, Andrzej; Sroda-Pomianek, Kamila; Malinka, Wiesław; Michalak, Krystyna

2014-01-01

The purpose of the present paper was to assess the ability of new piroxicam analogues to interact with the lipid bilayers. The results of calorimetric and fluorescence spectroscopic experiments of two new synthesized analogues of piroxicam, named PR17 and PR18 on the phase behavior of phospholipid bilayers and fluorescence quenching of fluorescent probes (Laurdan and Prodan), which molecular location within membranes is known with certainty, are shown in present work. The presented results revealed that, depending on the details of chemical structure, the studied compounds penetrated the lipid bilayers.

Antimicrobial and cytotoxicity effect of silver nanoparticle synthesized by Croton bonplandianum Baill. leaves

Directory of Open Access Journals (Sweden)

K. Khanra

2016-01-01

Full Text Available Objective(s: For the development of reliable, ecofriendly, less expensive process for the synthesis of silver nanoparticles and to evaluate the bactericidal, and cytotoxicity properties of silver nanoparticles synthesized from root extract of Croton bonplandianum, Baill. Materials and Methods: The synthesis of silver nanoparticles by plant part of Croton bonplandianum was carried out.  The formation of nanoparticles was confirmed by Transmission Electron Microscopy (TEM, Scanning Electron Microscopy (SEM, XRD and UV-Vis spectrophotometric analysis.  The biochemical properties were assayed by antibacterial study, cytotoxicity assay using cancer cell line.  Results: The formation of silver nanoparticles was confirmed by UV-VIS spectroscopic analysis which showed absorbance peak at 425 nm.  X-ray diffraction photograph indicated the face centered cubic structure of the synthesized AgNPs.  TEM has displayed the different dimensional images of biogenic silver nanoparticles with particle size distribution ranging from 15-40 nm with an average size of 32 nm. Silver particles are spherical in shape, clustered.  The EDX analysis was used to identify the elemental composition of synthesized AgNPs. Antibacterial activity of the synthesized AgNPs against three Gram positive and Gram negative bacteria strains like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa carried out showed significant zones of inhibition. The cytotoxicity study by AgNPS also showed cytotoxicity on ovarian cancer cell line PA-1 and lung epithelial cancer cell line A549.  Conclusion: The present study confirms that the AgNPs have great promise as antibacterial, and anticancer agent.

Structurally tuned benzo[h]chromene derivative as Pb2+ selective ‘turn-on’ fluorescence sensor for living cell imaging

International Nuclear Information System (INIS)

Sinha, Sougata; Rani Koner, Rik; Kumar, Sunil; Mathew, Jomon; Roy, Anindita; Kanti Mukhopadhyay, Subhra; Nandi, Chayan K.; Ghosh, Subrata

2013-01-01

A benzo[h]chromene derivative, 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbonitrile 1, has been utilized as ‘Turn On’ fluorescence chemosensor for the selective detection of Pb 2+ . The title compound 1 was synthesized in one step using a multicomponent condensation reaction (MCR), and characterized using various spectroscopic techniques. The selectivity was tested over a range of 17 different metal and non-metal ions. Compound 1 was found to be weak fluorescent (Φ 1 =0.06) because of photoinduced electron transfer (PET). The presence of 2 equiv of Pb 2+ showed a significant increase in fluorescence quantum yield (Φ 1−Pb 2+ =0.132). A change in weak blue emission of 1 to a glowing green emission along with a prominent red shift (26 nm) in emission band was observed upon addition of Pb 2+ to a methanolic solution of 1. The complexation of 1 with Pb 2+ was proved by mass spectroscopy and NMR studies. Some of our experimental findings have been supported by theoretical studies. Compound 1 was found to be easily permeable to living cells without causing any harm and ultimately was used to detect effectively Pb 2+ in living system. -- Highlights: • Benzo[h]chromene derivative (1) as fluorogenic chemosensor for Pb 2+ . • One-step synthesis of the sensor using multicomponent condensation reaction. • The sensor follows a ‘turn-on’ mechanism through CHEF. • 1–Pb 2+ complex was characterized by various spectroscopic techniques. • The probe can detect Pb 2+ in living cells

5-Nitroimidazole Derivatives and their Antimicrobial Activity

International Nuclear Information System (INIS)

Khan, K.M.; Salar, U.; Yousuf, S.; Naz, F.

2016-01-01

5-Nitroimidazole derivatives 2-8 were synthesized from secnidazole. The syntheses were accomplished in two steps which start from the oxidation of secnidazole to the secnidazolone 1. Secnidazolone 1 was converted into its hydrazone derivative 2-8 by treating with different substituted acid hydrazide. Compounds 2-8 were evaluated for their antimicrobial activity against Gram-positive and Gram-negative bacteria, compounds 3 and 4 showed the significant activity against Staphylococcus epidermidis, however, compound 2 showed good inhibitions against Corynebacterium diphtheria when compared with the standard. Compound 3 showed good inhibitory potential against tested Gram-negative bacterial strains i.e. Enterobacter aerogene, Escherichia coli, Salmonella typhi, Salmonella paratyphi A, Shigella flexeneri and Vibrio choleriae. All synthetic derivatives were also tested against eight fungal stains, however, they were weekly active against Aspergillus flavus and Candida albican. The synthesized compounds were characterized by different spectroscopy techniques. (author)

Microscale Syntheses, Reactions, and 1H NMR Spectroscopic Investigations of Square Planar Macrocyclic Tetraamido-N Cu(III) Complexes Relevant to Green Chemistry

Science.gov (United States)

Uffelman, Erich S.; Doherty, Jonathan R.; Schulze, Carl; Burke, Amy L.; Bonnema, Kristen R.; Watson, Tanya T.; Lee, Daniel W., III

2004-01-01

Microscale fusions, description, and spectroscopic analysis of the reactivity of a square planar Cu(III) complex significant to green chemistry, are presented. The experiment also includes nine focal points on which pre-lab and post-lab questions are based, and the final exams reflect the students' comprehension of these and other features of…

Rhenium complexes of chromophore-appended dipicolylamine ligands: syntheses, spectroscopic properties, DNA binding and X-ray crystal structure

International Nuclear Information System (INIS)

Mullice, L.A.; Buurma, N.J.; Pope, S.J.A.; Laye, R.H.; Harding, L.P.

2008-01-01

The syntheses of two chromophore-appended dipicolylamine-derived ligands and their reactivity with penta-carbonyl-chloro-rhenium have been studied. The resultant complexes each possess the fac-Re(CO) 3 core. The ligands L 1 1-[bis(pyridine-2-yl-methyl)amino]methyl-pyrene and L 2 2-[bis(pyridine-2-yl-methyl)amino]methyl-quinoxaline were isolated via a one-pot reductive amination in moderate yield. The corresponding rhenium complexes were isolated in good yields and characterised by 1 H NMR, MS, IR and UV-Vis studies. X-Ray crystallographic data were obtained for fac-{Re(CO) 3 (L 1 )}(BF 4 ), C 34 H 26 BF 4 N 4 O 3 Re: monoclinic, P2(1)/c, a 18.327(2) Angstroms, α = 90.00 degrees, b 14.1537(14) Angstroms, β96.263(6) degrees, c = 23.511(3) Angstroms, γ 90.00 Angstroms, 6062.4(11) (Angstroms) 3 , Z=8. The luminescence properties of the ligands and complexes were also investigated, with the emission attributed to the appended chromophore in each case. Isothermal titration calorimetry suggests that fac-{Re(CO) 3 (L 1 )}(BF 4 ) self-aggregates cooperatively in aqueous solution, probably forming micelle-like aggregates with a cmc of 0.18 mM. Investigations into the DNA-binding properties of fac-{Re(CO) 3 (L 1 )}(BF 4 ) were undertaken and revealed that fac-{Re(CO) 3 (L 1 )}(BF 4 ) binding to fish sperm DNA (binding constant 1.5 ± 0.2 * 10 5 M -1 , binding site size 3.2 ± 0.3 base pairs) is accompanied by changes in the UV-Vis spectrum as typically observed for pyrene-based intercalators while the calorimetrically determined binding enthalpy (-14 ± 2 kcal mol -1 ) also agrees favourably with values as typically found for intercalators. (authors)

Exploring the potential of high resolution mass spectrometry for the investigation of lignin-derived phenol substitutes in phenolic resin syntheses.

Science.gov (United States)

Dier, Tobias K F; Fleckenstein, Marco; Militz, Holger; Volmer, Dietrich A

2017-05-01

Chemical degradation is an efficient method to obtain bio-oils and other compounds from lignin. Lignin bio-oils are potential substitutes for the phenol component of phenol formaldehyde (PF) resins. Here, we developed an analytical method based on high resolution mass spectrometry that provided structural information for the synthesized lignin-derived resins and supported the prediction of their properties. Different model resins based on typical lignin degradation products were analyzed by electrospray ionization in negative ionization mode. Utilizing enhanced mass defect filter techniques provided detailed structural information of the lignin-based model resins and readily complemented the analytical data from differential scanning calorimetry and thermogravimetric analysis. Relative reactivity and chemical diversity of the phenol substitutes were significant determinants of the outcome of the PF resin synthesis and thus controlled the areas of application of the resulting polymers. Graphical abstract ᅟ.

Analytical Raman spectroscopic study for discriminant analysis of different animal-derived feedstuff: Understanding the high correlation between Raman spectroscopy and lipid characteristics.

Science.gov (United States)

Gao, Fei; Xu, Lingzhi; Zhang, Yuejing; Yang, Zengling; Han, Lujia; Liu, Xian

2018-02-01

The objectives of the current study were to explore the correlation between Raman spectroscopy and lipid characteristics and to assess the potential of Raman spectroscopic methods for distinguishing the different sources of animal-originated feed based on lipid characteristics. A total of 105 lipid samples derived from five animal species have been analyzed by gas chromatography (GC) and FT-Raman spectroscopy. High correlations (r 2 >0.94) were found between the characteristic peak ratio of the Raman spectra (1654/1748 and 1654/1445) and the degree of unsaturation of the animal lipids. The results of FT-Raman data combined with chemometrics showed that the fishmeal, poultry, porcine and ruminant (bovine and ovine) MBMs could be well separated based on their lipid spectral characteristics. This study demonstrated that FT-Raman spectroscopy can mostly exhibit the lipid structure specificity of different species of animal-originated feed and can be used to discriminate different animal-originated feed samples. Copyright © 2017. Published by Elsevier Ltd.

SYNTHESES, SPECTROSCOPIC AND MAGNETIC PROPERTIES ...

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suspension of II reacts with Mn(II), Ni(II), Cd(II), Fe(III) and UO2(VI) ions and ... There has been considerable interest in the synthesis and use of ... chelating abilities in recent years due to their practical convenience, operational flexibility and.

Synthesized of 2,7 dihydroxyxanthone from xanthone and antimalarial activities

Science.gov (United States)

Amanatie; Jumina; Mustofa; Hanafi

2018-03-01

The purpose of the research is to synthesize 2,7-di-hydroxyxanthone compounds from xanthone and to evaluate antiplasmodial against activities. The synthesize of 2,7-di-hydroxyxanthone compounds worked with chromatogramphy methods including Thin Layer Chromatography (TLC), Vacuum Liquid Chromatography (VLC). A compound structures were determined based on the spectroscopic evidences including, Infrared (IR), one dimension (1-D) and two dimension (2-D) Nuclear Magnetic Resonance (NMR) spectra and comparison the spectroscopy data with related data from references. The biological properties of compounds are evaluated towards antiplasmodial against activity. The result of the product was obtained as white solid in 63.49% yield. The IR spectrum showed the absorption at 3433 cm-1 Which was reinforced with a sharp attack at 1087cm-1 indicating the stretching of OH, while the stretching of aromatic C=C appeared at 1620 cm-1. The 1H-NMR (500MHz, and DMSO –d6) spectrum showed that the aryl protons appeared in the region of δ12.98 ppm. In this region, there were 2 singlet at δH 12.98 ppm (1H, 2-OH) and (1H,7-OH) and shows the presence of two OH groups. Based on spectroscopy analyses, it could be started that the reaction of 2.7 di-aminoxanthone with NaNO2/HCl and H3PO4 produced 2.7-di-hydroxyxanthone. In vitro antiplasmodial assay of the product synthesized 2,7 di-hydroxyxanthones against. Falciparum strain of 3D7 showed that the IC50 values of 2,7-di-hydroxy xanthone, were 0.31 μg/mL, respectively.

Carpatizine, a novel bridged oxazine derivative generated by non-enzymatic reactions.

Science.gov (United States)

Fu, Peng; MacMillan, John B

2017-06-27

Carpatizine (1), a new bridged oxazine derivative, was isolated from a marine-derived Streptomyces strain SNE-011. The structure was fully determined by spectroscopic analysis, ECD calculations and chemical methods. A plausible non-enzymatic reaction mechanism from daryamide D leading to carpatizine was presented, which was confirmed by chemical transformation.

Microwave-Synthesized Tin Oxide Nanocrystals for Low-Temperature Solution-Processed Planar Junction Organo-Halide Perovskite Solar Cells

KAUST Repository

Abulikemu, Mutalifu

2017-03-25

Tin oxide has been demonstrate to possess outstanding optoelectronic properties such as optical transparency and high electron mobility, therefore, it was successfully utilized as electron transporting layer in various kind of solar cells. In this study, for the first time, highly dispersible SnO2 nanoparticles were synthesized by microwave-assisted non-aqueous sol-gel route in an organic medium. Ethanol dispersion of the as-prepared nanoparticles was used to cast an uniform thin layer of SnO2 without the aid of aggregating agent and at low temperatures. Organohalide perovskite solar cells were fabricated using SnO2 as electron transporting layer. Morphological and spectroscopic investigations, in addition to the good photoconversion efficiency obtained evidenced that nanoparticles synthesized by this route have optimal properties such small size and crystallinity to form a continuous film, furthermore, this method allows high reproducibility and scalability of the film deposition process.

Microwave-Synthesized Tin Oxide Nanocrystals for Low-Temperature Solution-Processed Planar Junction Organo-Halide Perovskite Solar Cells

KAUST Repository

Abulikemu, Mutalifu; Neophytou, Marios; Barbe, Jeremy; Tietze, Max Lutz; El Labban, Abdulrahman; Anjum, Dalaver H.; Amassian, Aram; McCulloch, Iain; Del Gobbo, Silvano

2017-01-01

Tin oxide has been demonstrate to possess outstanding optoelectronic properties such as optical transparency and high electron mobility, therefore, it was successfully utilized as electron transporting layer in various kind of solar cells. In this study, for the first time, highly dispersible SnO2 nanoparticles were synthesized by microwave-assisted non-aqueous sol-gel route in an organic medium. Ethanol dispersion of the as-prepared nanoparticles was used to cast an uniform thin layer of SnO2 without the aid of aggregating agent and at low temperatures. Organohalide perovskite solar cells were fabricated using SnO2 as electron transporting layer. Morphological and spectroscopic investigations, in addition to the good photoconversion efficiency obtained evidenced that nanoparticles synthesized by this route have optimal properties such small size and crystallinity to form a continuous film, furthermore, this method allows high reproducibility and scalability of the film deposition process.

Spectroscopic classification of transients

DEFF Research Database (Denmark)

Stritzinger, M. D.; Fraser, M.; Hummelmose, N. N.

2017-01-01

We report the spectroscopic classification of several transients based on observations taken with the Nordic Optical Telescope (NOT) equipped with ALFOSC, over the nights 23-25 August 2017.......We report the spectroscopic classification of several transients based on observations taken with the Nordic Optical Telescope (NOT) equipped with ALFOSC, over the nights 23-25 August 2017....

Inhibition of growth and biofilm formation of clinical bacterial isolates by NiO nanoparticles synthesized from Eucalyptus globulus plants.

Science.gov (United States)

Saleem, Samia; Ahmed, Bilal; Khan, Mohammad Saghir; Al-Shaeri, Majed; Musarrat, Javed

2017-10-01

Nanotechnology based therapeutics has emerged as a promising approach for augmenting the activity of existing antimicrobials due to the unique physical and chemical properties of nanoparticles (NPs). Nickel oxide nanoparticles (NiO-NPs) have been suggested as prospective antibacterial and antitumor agent. In this study, NiO-NPs have been synthesized by a green approach using Eucalyptus globulus leaf extract and assessed for their bactericidal activity. The morphology and purity of synthesized NiO-NPs determined through various spectroscopic techniques like UV-Visible, FT-IR, XRD, EDX and electron microscopy differed considerably. The synthesized NiO-NPs were pleomorphic varying in size between 10 and 20 nm. The XRD analysis revealed the average size of NiO-NPs as 19 nm. The UV-Vis spectroscopic data showed a strong SPR of NiO-NPs with a characteristic spectral peak at 396 nm. The FTIR data revealed various functional moieties like C=C, C-N, C-H and O-H which elucidate the role of leaf biomolecules in capping and dispersal of NiO-NPs. The bioactivity assay revealed the antibacterial and anti-biofilm activity of NiO-NPs against ESβL (+) E. coli, P. aeruginosa, methicillin sensitive and resistant S. aureus. Growth inhibition assay demonstrated time and NiO-NPs concentration dependent decrease in the viability of treated cells. NiO-NPs induced biofilm inhibition was revealed by a sharp increase in characteristic red fluorescence of PI, while SEM images of NiO-NPs treated cells were irregular shrink and distorted with obvious depressions/indentations. The results suggested significant antibacterial and antibiofilm activity of NiO-NPs which may play an important role in the management of infectious diseases affecting human health. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis of Some Novel Thiadiazole Derivative Compounds and Screening Their Antidepressant-Like Activities

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Nafiz Öncü Can

2018-03-01

Full Text Available Novel thiadiazole derivatives were synthesized through the reaction of acetylated 2-aminothiadiazole and piperazine derivatives. The chemical structures of the compounds were clarified by Infrared Spectroscopy (IR, 1H Nuclear Magnetic Resonance Spectroscopy (1H-NMR, 13C Nuclear Magnetic Resonance Spectroscopy (13C-NMR and Electronspray Ionisation Mass Spectroscopy (ESI-MS spectroscopic methods. Antidepressant-like activities were evaluated by the tail-suspension (TST and modified forced swimming (MFST methods. Besides, possible influence of the test compounds on motor activities of the animals were examined by activity cage tests. In the TST, administration of the compounds 2c, 2d, 2e, 2f, 2g and 2h significantly decreased the immobility time of mice regarding the control values. Further, in the MFST, the same compounds reduced the total number of immobility behaviors while increasing swimming performance. However, no change was observed in the total number of climbing behaviors. These data suggested that compounds 2c, 2d, 2e, 2f, 2g and 2h possess notable antidepressant-like activities. Reference drug fluoxetine (10 mg/kg was also exhibited its antidepressant activity, as expected. No significant difference was seen between the locomotor activity values of the test groups signifying that observed antidepressant-like activities are specific. Theoretical calculation of absorption, distribution, metabolism, excretion (ADME properties for the obtained compounds were performed and obtained data supported the antidepressant-like potential of these novel thiadiazole derivatives.

Synthesis of polyimides from α,αʹ-bis(3-aminophenoxy)-p-xylene: Spectroscopic, single crystal XRD and thermal studies

Science.gov (United States)

Ashraf, Ahmad Raza; Akhter, Zareen; Simon, Leonardo C.; McKee, Vickie; Castel, Charles Dal

2018-05-01

The meta-catenated ether-based diamine monomer α,αʹ-bis(3-aminophenoxy)-p-xylene (3APX) was synthesized from dinitro precursor α,αʹ-bis(3-nitrophenoxy)-p-xylene (3NPX). FTIR, 1H and 13C NMR spectroscopic studies accompanied by elemental analysis were performed for structural elucidations of 3NPX and 3APX. The spatial orientations of 3APX were explored by single crystal X-ray diffraction analysis. Its crystal system was found to be monoclinic, adopting the space group P21/c. The synthesized diamine monomer (3APX) was used for preparation of new series of polyimides by reacting with three different dianhydrides (BTDA, ODPA, 6FDA). The relevant copolyimides were developed via incorporation of 4,4ʹ-methylenedianiline (MDA) in the backbone of afore-synthesized polyimides. The structures of polyimides and copolyimides were verified by FTIR and 1H NMR spectroscopic techniques. Their properties were evaluated by dynamic and isothermal TGA (nitrogen and air atmospheres) and WAXRD studies. Polyimides displayed significantly high thermal stability as their degradation started around 400 °C and it was improved further by execution of copolymerization strategy with MDA. The 5% weight loss temperature (T5) of polyimides under nitrogen atmosphere was in the range of 425-460 °C while for copolyimides it increased to 454-498 °C. Thermal decomposition in air was slower than nitrogen between 400 and 550 °C however it was accelerated above 550 °C. Isothermal TGA disclosed that copolyimides have the ability to endure elevated temperatures for extended period. WAXRD analysis showed the amorphous nature of polyimides and copolyimides.

Synthesis and biological activity of n-{5-(4-methylphenyl diazenyl-4-phenyl-1, 3-thiazol-2-yl}benzamide derivatives

Directory of Open Access Journals (Sweden)

Ashishkumar Kantilal Prajapati

2011-01-01

Full Text Available In the present study, various amides of 2-amino-5-(4-methylphenyl-diazenyl-4-phenyl-1, 3-thiazole was synthesized and their biological activities were evaluated. All the synthesized compounds were characterized by the combination of elemental analysis and standard spectroscopic methods. They are screened for anti-bacterial activity against Escherichia coli and Staphylococcus aureus as well as screened for antifungal activity against Aspergillus niger and Apergillus oryzae by cup plate method at 1 µg/ mL concentration in DMF.

Synthesis and biological activity of N-{5-(4-methylphenyl) diazenyl-4-phenyl-1, 3-thiazole-2-yl}benzamide derivatives

International Nuclear Information System (INIS)

Prajapati, Ashishkumar K.; Modi, Vishal P.

2011-01-01

In the present study, various amides of 2-amino-5-(4-methylphenyl)-diazenyl-4-phenyl-1, 3-thiazole was synthesized and their biological activities were evaluated. All the synthesized compounds were characterized by the combination of elemental analysis and standard spectroscopic methods. They are screened for anti-bacterial activity against Escherichia coli and Staphylococcus aureus as well as screened for antifungal activity against Aspergillus niger and Aspergillus oryzae by cup plate method at 1 μg/ mL concentration in DMF. (author)

Studies on Oligomer Metal Complexes Derived from Bisamic Acid of Pyromellitic Dianhydride and 4-Bromoaniline.

Science.gov (United States)

Patel, Yogesh S

2014-01-01

Novel oligomer metal complexes (2a-f) of the ligand 2,5-bis((4-bromophenyl)carbamoyl) terephthalic acid (1) were prepared using transition metal salts and characterized by various spectroscopic techniques. The geometry of oligomer metal complexes was carried out by electronic spectral analysis and magnetic measurement studies. Polymeric properties have also been carried out. Ligand was synthesized using pyromellitic dianhydride and 4-bromoaniline. It was duly characterized. All novel synthesized compounds 1 and 2a-f were evaluated for their antibacterial and antifungal activity. The results showed significantly higher antibacterial and antifungal activity of oligomer metal complexes compared to the ligand.

Trifluoromethyl Boron Dipyrromethene Derivatives as Potential Photosensitizers for Photodynamic Therapy

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Jian-Yong Liu

2018-02-01

Full Text Available In this study, two novel boron dipyrromethene-based photosensitizers (BDP3 and BDP6 substituted with three or six trifluoromethyl groups have been synthesized and characterized with various spectroscopic methods, and their photo-physical, photo-chemical, and photo-biological properties have also been explored. The two photosensitizers are highly soluble and remain nonaggregated in N,N-dimethylformamide as shown by the intense and sharp Q-band absorption. Under red light irradiation (λ = 660 nm, 1.5 J/cm2, both photosensitizers show high and comparable cytotoxicity towards HepG2 human hepatocarcinoma and HeLa human cervical carcinoma cells with IC50 values of 0.42–0.49 μM. The high photocytotoxicity of BDP3 and BDP6 can be due to their high cellular uptake and low aggregation tendency in biological media, which result in a high efficiency to generate reactive oxygen species inside the cells. Confocal laser fluorescence microscopic studies indicate that they have superior selective affinities to the mitochondria and lysosomes of HepG2 and HeLa cells. The results show that these two trifluoromethyl boron dipyrromethene derivatives are potential anticancer agents for photodynamic therapy.

Photoacoustic and dielectric spectroscopic studies of 4-dimethylamino-n-methyl-4-stilbazolium tosylate single crystal: An efficient terahertz emitter

Science.gov (United States)

Manivannan, M.; Martin Britto Dhas, S. A.; Jose, M.

2016-12-01

Bulk terahertz emitting single crystal of 4-dimethylamino-N-methyl-4-stilbazolium tosylate (DAST) was synthesized by condensation method and grown by slow solvent evaporation technique from methanol. The structure and cell parameters of the grown crystals were derived from single crystal and powder X-ray diffraction analyses and the optical properties of the crystal were analyzed by UV-Vis Spectrophotometer. The presence of functional groups was identified by FTIR and FT-Raman spectroscopic studies. We demonstrated that in DAST crystal, the thermal transport properties such as thermal conductivity, thermal diffusivity and thermal effusivity are better than several well recognized standard materials using photoacoustic spectrophotometer. The dielectric measurement was made as a function of frequency (1 Hz-35 MHz) at different temperatures (30-200 °C). The dielectric constant and dielectric loss were found to be strongly dependent on temperature and frequency of the applied electric field. The semicircle in the cole-cole plot showed the presence of dielectric relaxation in the crystal with its diameter representing the resistance of the crystal. The resistivity and ac conductivity were calculated from the measured dielectric data.

Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs)

Energy Technology Data Exchange (ETDEWEB)

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

2015-01-15

Three new isostructural quaternary antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) have been synthesized by using alkali metal thiosulfate flux and structurally characterized by X-ray diffraction. Their structures contain A{sup +} ions around the [Sb{sub 2}Sn{sub 3}S{sub 10}]{sup 2−} chains, which are built from SbS{sub 3} pyramids, SnS{sub 6} octahedra and SnS{sub 4} tetrahedra. Raman and Mössbauer spectroscopic measurements corroborate the oxidation states and coordination environments of Sb(III) and Sn(IV). All three compounds are wide band gap semiconductors. Potassium compound undergoes partial exchange with strontium, cadmium and lead ions. - Graphical abstract: Syntheses, crystal structure, spectroscopic and partial ion-exchange studies of new one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) are described. - Highlights: • Syntheses of new alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs). • Wide band gap semiconductors with one-dimensional structure. • Topotactic partial exchange of K{sup +} ions of K{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} with Sr{sup 2+}, Cd{sup 2+} and Pb{sup 2+} ions.

[Derivative spectrophotometric and NMR spectroscopic study in pharmaceutical science].

Science.gov (United States)

Kitamura, Keisuke

2007-10-01

This review starts with an introduction of derivative spectrophotometry followed by a description on the construction of a personal computer-assisted derivative spectrophotometric (DS) system. An acquisition system for inputting digitalized absorption spectra into personal computers and a BASIC program for calculating derivative spectra were developed. Then, applications of the system to drug analyses that are difficult with traditional absorption methods are described. Following this, studies on the interactions of drugs with biological macromolecules by the DS and NMR methods were discussed. An (1)H NMR study elucidated that the small unilamellar vesicle (SUV) has a single membrane made of a phosphatidylcholine bilayer, and that chlorpromazine interacts with both the outer and inner layers. (13)C NMR revealed a reduction of the dissociation constants of phenothiazine drugs due to their interaction with SUV. The partition coefficients of phenothiazine, benzodiazepine and steroid drugs in an SUV-water system and the effects of cholesterol or amino lipids content on these partition coefficients were examined by the DS method. The binding constants of phenothiazine drugs to bovine serum albumin (BSA) and the influence of Na(+), K(+), Cl(-), Br(-), and I(-) on these binding constants were determined by DS. It was found that I(-), Br(-), Cl(-) reduce the binding constants in this order, and that Na(+) and K(+) have no effect. A (19)F NMR study revealed that triflupromazine binds to BSA and human serum albumin in two regions including Site II with different populations, and that a nonsteroidal anti-inflammatory drug, niflumic acid, binds Sites Ia and Ib.

Studies on the Alkaloids of the Calycanthaceae and Their Syntheses

Directory of Open Access Journals (Sweden)

Jin-Biao Xu

2015-04-01

Full Text Available Plants of the Calycanthaceae family, which possesses four genera and about 15 species, are mainly distributed in China, North America and Australia. Chemical studies on the Calycanthaceae have led to the discovery of about 14 alkaloids of different skeletons, including dimeric piperidinoquinoline, dimeric pyrrolidinoindoline and/or trimeric pyrrolidinoindolines, which exhibit significant anti-convulsant, anti-fungal, anti-viral analgesic, anti-tumor, and anti-melanogenesis activities. As some of complex tryptamine-derived alkaloids exhibit promising biological activities, the syntheses of these alkaloids have also been a topic of interest in synthetic chemistry during the last decades. This review will focus on the structures and total syntheses of these alkaloids.

Structural characterization of FeVO{sub 4} synthesized by co-precipitation method

Energy Technology Data Exchange (ETDEWEB)

Bera, Ganesh; Sinha, Sourav; Rambabu, P.; Das, P.; Gupta, A. K.; Turpu, G. R., E-mail: dr.tgreddy@gmail.com [Department of Pure and Applied Physics, Guru Ghasidas Vishwavidyalaya, Koni, Bilaspur 495 009 (India)

2016-05-06

A Low temperature method for synthesizing triclinic FeVO{sub 4} nanoparticles is manifested through co-precipitation method. Three precursor materials taken for the synthesis are Iron Nitrate, Ammonium Metavanadate and NaOH along with DI water. The attained precipitate was dried at 100°C for overnight and calcined at different temperatures ranging from 400°C - 650°C. The achieved powdered materials are studied through X-ray diffraction and found to be in pure single phase of P-1 space group symmetry. The crystallite size measured through Scherrer’s method is in found to be in the range of 40-60 nm. Raman spectroscopic studies were carried out at room temperature. Raman spectra is in agreement with the reported structural data of FeVO{sub 4}.

synthesis and characterization of some poly functionalized heterocyclic derivatives of expected biological activity

International Nuclear Information System (INIS)

El-sayed, M.S.

2001-01-01

The present work was aimed and designed to fulfil The following objectives : 1- Continuation of the effort done by our research group in the field of chemistry of pyridinethione derivatives and their biological activities. 2- Synthesis of several new heterocyclic derivatives containing N and/or S using the laboratory available reagents. 3- Establishment of the structures of the newly synthesized heterocyclic compounds by the data of IR, 1 H-NMR, mass spectra in addition to the elemental analysis. 4- Synthesis of some of these heterocyclic derivatives via alternative routs and this used as a tool to confirm the structures of the newly synthesized heterocyclic derivatives. 5- study of the most probable mechanisms leading to the formation of the new heterocyclic derivatives. 6- The antimicrobial activity of some of the newly synthesized heterocyclic derivatives was tested against several types of organisms

Synthesis, spectroscopic, computational (DFT/B3LYP), AChE inhibition and antioxidant studies of imidazole derivative

Science.gov (United States)

Ahmad, Faheem; Alam, Mohammad Jane; Alam, Mahboob; Azaz, Shaista; Parveen, Mehtab; Park, Soonheum; Ahmad, Shabbir

2018-01-01

The present study reports the synthesis and evaluation of biological properties of 3a,8a-dihydroxy-8-oxo-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazol-2(1H)-iminium chloride (3). The structure was confirmed by the FTIR, NMR, MS, CHN microanalysis and X-ray crystallographic analysis. Quantum chemical calculations have been performed at B3LYP-D3/6-311++G(d,p) level of theory to study the molecular geometry, IR, (1H and 13C) NMR, UV/Vis spectra and other molecular parameters of the asymmetric unit of crystal of imidazole compound (3). An empirical dispersion correction to hybrid functional (B3LYP-D3) has been incorporated in the present calculations due to presence of non-covalent interaction, Cl⋯H-O, in the present compound. The remarkable agreement has been observed between theoretical data and those measured experimentally. Moreover, the Hirshfeld analysis was carried out to ascertain the secondary interactions and associated 2D fingerprint plots. The synthesized imidazole derivative showed promising antioxidant property and inhibitory activity against acetylcholinesterase (AChE). Molecular docking was also performed in order to explain in silico antioxidant studies and to ascertain the probable binding mode of compound with the amino acid residues of protein.

Synthesis and Some Reactions of 3-Chloro-2-(cyanomethylene-1,2-dihydroquinoxalines

Directory of Open Access Journals (Sweden)

Wolfgang Pfleiderer

2004-03-01

Full Text Available 2,3-Dichloroquinoxaline and some of its derivatives have been reacted with malononitrile and ethyl cyanoacetate to yield a variety of 3-chloro-2-(cyanomethylene- 1,2-dihydroquinoxaline derivatives. The reaction of 3-chloro-2-(dicyanomethylene-1,2- dihydroquinoxaline (2e with pyridine and its methyl derivatives led to the zwitterionic structures 6a-6c. The structures of the newly synthesized compounds were assigned by spectroscopic data and elemental analyses.

Synthesis and Antimicrobial Activity of Some New Formazan Derivatives

Directory of Open Access Journals (Sweden)

S. I. Marjadi

2009-01-01

Full Text Available A series of new substituted formazan derivatives has been synthesized from corresponding aryl diazonium chloride and Schiff base in pyridine. The synthesized compounds were identified by spectral studies and screened for their antimicrobial activities.

Mesogenic benzothiazole derivatives with methoxy substituents

Indian Academy of Sciences (India)

Unknown

2003-10-11

Oct 11, 2003 ... literature. Barbera et al14 have synthesized 2-pyr- azoline derivatives and also studied the optical,. NLO and mesogenic properties of such materials. Highly polar thiophene-based liquid crystals have also been reported15 in the literature. However, fused ring heterocyclic derivatives which are two conden-.

6-Nitrobenzimidazole derivatives: potential phosphodiesterase inhibitors: synthesis and structure-activity relationship.

Science.gov (United States)

Khan, K M; Shah, Zarbad; Ahmad, V U; Ambreen, N; Khan, M; Taha, M; Rahim, F; Noreen, S; Perveen, S; Choudhary, M I; Voelter, W

2012-02-15

6-Nitrobenzimidazole derivatives (1-30) synthesized and their phosphodiesterase inhibitory activities determined. Out of thirty tested compounds, ten showed a varying degrees of phosphodiesterase inhibition with IC(50) values between 1.5±0.043 and 294.0±16.7 μM. Compounds 30 (IC(50)=1.5±0.043 μM), 1 (IC(50)=2.4±0.049 μM), 11 (IC(50)=5.7±0.113 μM), 13 (IC(50)=6.4±0.148 μM), 14 (IC(50)=10.5±0.51 μM), 9 (IC(50)=11.49±0.08 μM), 3 (IC(50)=63.1±1.48 μM), 10 (IC(50)=120.0±4.47 μM), and 6 (IC(50)=153.2±5.6 μM) showed excellent phosphodiesterase inhibitory activity, much superior to the standard EDTA (IC(50)=274±0.007 μM), and thus are potential molecules for the development of a new class of phosphodiesterase inhibitors. A structure-activity relationship is evaluated. All compounds are characterized by spectroscopic parameters. Copyright © 2011 Elsevier Ltd. All rights reserved.

Structure-Dependent Spectroscopic Properties of Yb3+-Doped Phosphosilicate Glasses Modified by SiO₂.

Science.gov (United States)

Wang, Ling; Zeng, Huidan; Yang, Bin; Ye, Feng; Chen, Jianding; Chen, Guorong; Smith, Andew T; Sun, Luyi

2017-02-28

Yb 3+ -doped phosphate glasses containing different amounts of SiO₂ were successfully synthesized by the conventional melt-quenching method. The influence mechanism of SiO₂ on the structural and spectroscopic properties was investigated systematically using the micro-Raman technique. It was worth noting that the glass with 26.7 mol % SiO₂ possessed the longest fluorescence lifetime (1.51 ms), the highest gain coefficient (1.10 ms·pm²), the maximum Stark splitting manifold of ²F 7/2 level (781 cm -1 ), and the largest scalar crystal-field N J and Yb 3+ asymmetry degree. Micro-Raman spectra revealed that introducing SiO₂ promoted the formation of P=O linkages, but broke the P=O linkages when the SiO₂ content was greater than 26.7 mol %. Based on the previous 29 Si MAS NMR experimental results, these findings further demonstrated that the formation of [SiO₆] may significantly affect the formation of P=O linkages, and thus influences the spectroscopic properties of the glass. These results indicate that phosphosilicate glasses may have potential applications as a Yb 3+ -doped gain medium for solid-state lasers and optical fiber amplifiers.

Structurally tuned benzo[h]chromene derivative as Pb{sup 2+} selective ‘turn-on’ fluorescence sensor for living cell imaging

Energy Technology Data Exchange (ETDEWEB)

Sinha, Sougata; Rani Koner, Rik; Kumar, Sunil [School of Basic Sciences, Indian Institute of Technology Mandi, Mandi-175001, H.P (India); Mathew, Jomon [Schulich Faculty of Chemistry and the Lise Meitner Minerva Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa (Israel); Roy, Anindita [Department of Microbiology, MUC Women’s College, Burdwan, West Bengal (India); Kanti Mukhopadhyay, Subhra [Department of Microbiology, Burdwan University, Burdwan, West Bengal (India); Nandi, Chayan K., E-mail: chayan@iitmandi.ac.in [School of Basic Sciences, Indian Institute of Technology Mandi, Mandi-175001, H.P (India); Ghosh, Subrata, E-mail: subrata@iitmandi.ac.in [School of Basic Sciences, Indian Institute of Technology Mandi, Mandi-175001, H.P (India)

2013-11-15

A benzo[h]chromene derivative, 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbonitrile 1, has been utilized as ‘Turn On’ fluorescence chemosensor for the selective detection of Pb{sup 2+}. The title compound 1 was synthesized in one step using a multicomponent condensation reaction (MCR), and characterized using various spectroscopic techniques. The selectivity was tested over a range of 17 different metal and non-metal ions. Compound 1 was found to be weak fluorescent (Φ{sub 1}=0.06) because of photoinduced electron transfer (PET). The presence of 2 equiv of Pb{sup 2+} showed a significant increase in fluorescence quantum yield (Φ{sub 1−Pb{sup 2}{sup +}}=0.132). A change in weak blue emission of 1 to a glowing green emission along with a prominent red shift (26 nm) in emission band was observed upon addition of Pb{sup 2+} to a methanolic solution of 1. The complexation of 1 with Pb{sup 2+} was proved by mass spectroscopy and NMR studies. Some of our experimental findings have been supported by theoretical studies. Compound 1 was found to be easily permeable to living cells without causing any harm and ultimately was used to detect effectively Pb{sup 2+} in living system. -- Highlights: • Benzo[h]chromene derivative (1) as fluorogenic chemosensor for Pb{sup 2+}. • One-step synthesis of the sensor using multicomponent condensation reaction. • The sensor follows a ‘turn-on’ mechanism through CHEF. • 1–Pb{sup 2+} complex was characterized by various spectroscopic techniques. • The probe can detect Pb{sup 2+} in living cells.

Silver/polysaccharide-based nanofibrous materials synthesized from green chemistry approach.

Science.gov (United States)

Martínez-Rodríguez, M A; Garza-Navarro, M A; Moreno-Cortez, I E; Lucio-Porto, R; González-González, V A

2016-01-20

In this contribution a novel green chemistry approach for the synthesis of nanofibrous materials based on blends of carboxymethyl-cellulose (CMC)-silver nanoparticles (AgNPs) composite and polyvinyl-alcohol (PVA) is proposed. These nanofibrous materials were obtained from the electrospinning of blends of aqueous solutions of CMC-AgNPs composite and PVA, which were prepared at different CMC/PVA weight ratios in order to electrospin nanofibers applying a constant tension of 15kV. The synthesized materials were characterized by means of transmission electron microscopy, scanning electron microscopy; as well as Fourier-transform infrared, ultraviolet and Raman spectroscopic techniques. Experimental evidence suggests that the diameter of the nanofibers is thinner than any other reported in the literature regarding the electrospinning of CMC. This feature is related to the interactions of AgNPs with carboxyl functional groups of the CMC, which diminish those between the later and acetyl groups of PVA. Copyright © 2015 Elsevier Ltd. All rights reserved.

A subspace approach to high-resolution spectroscopic imaging.

Science.gov (United States)

Lam, Fan; Liang, Zhi-Pei

2014-04-01

To accelerate spectroscopic imaging using sparse sampling of (k,t)-space and subspace (or low-rank) modeling to enable high-resolution metabolic imaging with good signal-to-noise ratio. The proposed method, called SPectroscopic Imaging by exploiting spatiospectral CorrElation, exploits a unique property known as partial separability of spectroscopic signals. This property indicates that high-dimensional spectroscopic signals reside in a very low-dimensional subspace and enables special data acquisition and image reconstruction strategies to be used to obtain high-resolution spatiospectral distributions with good signal-to-noise ratio. More specifically, a hybrid chemical shift imaging/echo-planar spectroscopic imaging pulse sequence is proposed for sparse sampling of (k,t)-space, and a low-rank model-based algorithm is proposed for subspace estimation and image reconstruction from sparse data with the capability to incorporate prior information and field inhomogeneity correction. The performance of the proposed method has been evaluated using both computer simulations and phantom studies, which produced very encouraging results. For two-dimensional spectroscopic imaging experiments on a metabolite phantom, a factor of 10 acceleration was achieved with a minimal loss in signal-to-noise ratio compared to the long chemical shift imaging experiments and with a significant gain in signal-to-noise ratio compared to the accelerated echo-planar spectroscopic imaging experiments. The proposed method, SPectroscopic Imaging by exploiting spatiospectral CorrElation, is able to significantly accelerate spectroscopic imaging experiments, making high-resolution metabolic imaging possible. Copyright © 2014 Wiley Periodicals, Inc.

Neutron vibrational spectroscopic studies of novel tire-derived carbon materials.

Science.gov (United States)

Li, Yunchao; Cheng, Yongqiang; Daemen, Luke L; Veith, Gabriel M; Levine, Alan M; Lee, Richard J; Mahurin, Shannon M; Dai, Sheng; Naskar, Amit K; Paranthaman, Mariappan Parans

2017-08-23

Sulfonated tire-derived carbons have been demonstrated to be high value-added carbon products of tire recycling in several energy storage system applications including lithium, sodium, potassium ion batteries and supercapacitors. In this communication, we compared different temperature pyrolyzed sulfonated tire-derived carbons with commercial graphite and unmodified/non-functionalized tire-derived carbon by studying the surface chemistry and properties, vibrational spectroscopy of the molecular structure, chemical bonding such as C-H bonding, and intermolecular interactions of the carbon materials. The nitrogen adsorption-desorption studies revealed the tailored micro and meso pore size distribution of the carbon during the sulfonation process. XPS and neutron vibrational spectra showed that the sulfonation of the initial raw tire powders could remove the aliphatic hydrogen containing groups ([double bond splayed left]CH 2 and -CH 3 groups) and reduce the number of heteroatoms that connect to carbon. The absence of these functional groups could effectively improve the first cycle efficiency of the material in rechargeable batteries. Meanwhile, the introduced -SO 3 H functional group helped in producing terminal H at the edge of the sp 2 bonded graphite-like layers. This study reveals the influence of the sulfonation process on the recovered hard carbon from used tires and provides a pathway to develop and improve advanced energy storage materials.

Hydantoin in heterocyclic synthesis: synthesis of new imidazopyridine imidazotriazole, pyrazolopurinone and imidazopyrazole derivatives

International Nuclear Information System (INIS)

Liu, M.; Li, X.

2014-01-01

A New series of imidazopyridine, imidazotriazole, pyrazolopurinone, pyranoimidazole, imidazopyridazine and imidazopyrazole derivatives were synthesized from the reaction of hydantion and its derivatives using a variety of electrophilic and nucleophilic reagents under mild conditions. The structures of the synthesized compounds were established via their elemental and spectral analyses. (author)

Curcumin derivatives as HIV-1 protease inhibitors

Energy Technology Data Exchange (ETDEWEB)

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

1993-12-31

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

Simple syntheses of 3-substituted indoles and their application for high yield 14C-labelling

International Nuclear Information System (INIS)

Schallenberg, J.; Meyer, E.

1983-01-01

Methods are described which allow the synthesis of several plant indole alkaloids and their metabolites at different scales. Compounds synthesized include gramine (1) (3-dimethylaminomethylindole) which is directly derived from indole, while its biosynthetic precursors 3-aminomethylindole (3) and 3-methylaminomethylindole (2) as well as indole3-carboxylic acid (7) are synthesized via indole-3-aldehyde (6). Slight changes of the experimental conditions allow syntheses with high yields not only at the molar but also at the μmolar level. This is extremely useful when isotope labelled compounds of high specific radioactivity are required for studies of plant metabolism. (orig.)

Syntheses, structural elucidation, thermal properties, theoretical quantum chemical studies (DFT and biological studies of barbituric–hydrazone complexes

Directory of Open Access Journals (Sweden)

Amina A. Soayed

2015-03-01

Full Text Available Condensation of barbituric acid with hydrazine hydrate yielded barbiturichydrazone (L which was characterized using IR, 1H NMR and mass spectra. The Co(II, Ni(II and Cu(II complexes derived from this ligand have been synthesized and structurally characterized by elemental analyses, spectroscopic methods (IR, UV–Vis and ESR and thermal analyses (TGA, DTG and DTA and the structures were further elucidated using quantum chemical density functional theory. Complexes of L were found to have the ML.nH2O stoichiometry with either tetrahedral or octahedral geometry. The ESR data showed the Cu(II complex to be in a tetragonal geometry. Theoretical investigation of the electronic structure of metal complexes at the TD-DFT/B3LYP level of theory has been carried out and discussed. The fundamental vibrational wavenumbers were calculated and a good agreement between observed and scaled calculated wavenumbers was achieved. Thermal studies were performed to deduce the stabilities of the ligand and complexes. Thermodynamic parameters, such as the order of reactions (n, activation energy ΔE∗, enthalpy of reaction ΔH∗ and entropy ΔS∗ were calculated from DTA curves using Horowitz–Metzger method. The ligand L and its complexes have been screened for their antifungal and antibacterial activities and were found to possess better biological activities compared to those of unsubstituted barbituric acid complexes.

Syntheses of Azo-Imine Derivatives from Vanillin as an Acid Base Indicator

Directory of Open Access Journals (Sweden)

Bambang Purwono

2013-05-01

Full Text Available Preparations of azo, imine and azo-imine derivatives from vanillin as an indicator of acid-base titration have been carried out. The azo derivative of 4-hydroxy-3-methoxy-5-(phenylazobenzaldehyde 2 was produced by diazotitation reaction of vanillin in 37.04% yield. The azo product was then refluxed with aniline in ethanol to yield azo-imine derivatives, 2-methoxy-6-(phenylazo-4-((phenyliminomethylphenol 1 in 82.21% yield. The imine derivative, 2-methoxy-4-((phenyliminomethyl-phenol 3 was obtained by refluxing of vanillin and aniline mixture in ethanol solvent and produced 82.17% yield. The imine product was then reacted with benzenediazonium chloride salt. However, the products indicated hydrolyzed product of 4-hydroxy-3-methoxy-5-(phenylazobenzaldehyde 2 in 22.15% yield. The 2-methoxy-4-((phenyliminomethylphenol 2 could be used as an indicator for titration of NaOH by H2C2O4 with maximum concentration of H2C2O4 0.1 M while the target compound 1 could be used as titration indicator for titration of NaOH with H2C2O4 with same result using phenolphthalein indicator.

Probing the interaction of a new synthesized CdTe quantum dots with human serum albumin and bovine serum albumin by spectroscopic methods

Energy Technology Data Exchange (ETDEWEB)

Bardajee, Ghasem Rezanejade, E-mail: rezanejad@pnu.ac.ir; Hooshyar, Zari

2016-05-01

A novel CdTe quantum dots (QDs) were prepared in aqueous phase via a facile method. At first, poly (acrylic amide) grafted onto sodium alginate (PAAm-g-SA) were successfully synthesized and then TGA capped CdTe QDs (CdTe-TGA QDs) were embed into it. The prepared CdTe-PAAm-g-SA QDs were optimized and characterized by transmission electron microscopy (TEM), thermo-gravimetric (TG) analysis, Fourier transform infrared (FT-IR), UV–vis and fluorescence spectroscopy. The characterization results indicated that CdTe-TGA QDs, with particles size of 2.90 nm, were uniformly dispersed on the chains of PAAm-g-SA biopolymer. CdTe-PAAm-g-SA QDs also exhibited excellent UV–vis absorption and high fluorescence intensity. To explore biological behavior of CdTe-PAAm-g-SA QDs, the interactions between CdTe-PAAm-g-SA QDs and human serum albumin (HSA) (or bovine serum albumin (BSA)) were investigated by cyclic voltammetry, FT-IR, UV–vis, and fluorescence spectroscopic. The results confirmed the formation of CdTe-PAAm-g-SA QDs-HSA (or BSA) complex with high binding affinities. The thermodynamic parameters (ΔG < 0, ΔH < 0 and ΔS < 0) were indicated that binding reaction was spontaneous and van der Waals interactions and hydrogen-bond interactions played a major role in stabilizing the CdTe-PAAm-g-SA QDs-HSA (or BSA) complexes. The binding distance between CdTe-PAAm-g-SA QDs and HSA (or BSA)) was calculated about 1.37 nm and 1.27 nm, respectively, according to Forster non-radiative energy transfer theory (FRET). Analyzing FT-IR spectra showed that the formation of QDs-HSA and QDs-BSA complexes led to conformational changes of the HSA and BSA proteins. All these experimental results clarified the effective transportation and elimination of CdTe-PAAm-g-SA QDs in the body by binding to HSA and BSA, which could be a useful guideline for the estimation of QDs as a drug carrier. - Highlights: • The CdTe quantum dots coated with polyacrylamide grafted onto sodium alginate. • The

Green synthesized conditions impacting on the reactivity of Fe NPs for the degradation of malachite green.

Science.gov (United States)

Huang, Lanlan; Luo, Fang; Chen, Zuliang; Megharaj, Mallavarapu; Naidu, Ravendra

2015-02-25

This study investigates green tea extract synthesized conditions impacting on the reactivity of iron nanoparticles (Fe NPs) used for the degradation of malachite green (MG), including the volume ratio of Fe(2+) and tea extract, the solution pH and temperature. Results indicated that the reactivity of Fe NPs increased with higher temperature, but fell with increasing pH and the volume ratio of Fe(2+) and tea extract. Scanning electron microscope (SEM), energy-dispersive spectrometer (EDS), Fourier transform infrared spectroscope (FTIR) and X-ray diffraction (XRD) indicated that Fe NPs were spherical in shape, their diameter was 70-80 nm and they were mainly composed of iron oxide nanoparticles. UV-visible (UV-vis) indicated that reactivity of Fe NPs used in degradation of MG significantly depended on the synthesized conditions of Fe NPs. This was due to their impact on the reactivity and morphology of Fe NPs. Finally, degradation of MG showed that 90.56% of MG was removed using Fe NPs. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectroscopic factors with coupled-cluster connecting ab initio nuclear structure to reactions

International Nuclear Information System (INIS)

Jensen, Oeyvind

2011-02-01

This thesis has two parts. Tools and theory are presented in the first part, and papers with specific applications to nuclear physics are collected in the second part. A synopsis of theoretical foundations and basic techniques for many body quantum physics is presented in the context of a computer implementation of Wick's theorem for the symbolic algebra system SymPy. A pedagogical introduction to the implemented Python module is presented, and non-trivial aspects of the implemented simplification algorithms are discussed. Computer aided manipulations of second quantization expressions relieves practitioners of laborious and error-prone hand calculations necessary for the derivation of programmable equations. Theoretical developments of the Coupled-Cluster method (CCM) at Singles- and-Doubles level (CCSD) for the calculation of spectroscopic factors (SF) and radial overlap functions are presented. Algebraic expressions are derived from novel diagram techniques. CCM is one of the most successful methods for accurate numerical quantum mechanical simulations of medium sized many-body systems studied within Chemistry and Nuclear Physics. The recently developed spherical formulation of CCM is presented and alternative coupling schemes of quantum mechanical angular momentum are discussed in the context of a computer implementation for Racah algebra with SymPy. A pedagogical introduction to this functionality is given and it is used to derive angular momentum coupled expressions for efficient calculation of the spectroscopic factor diagrams. The first research paper presents a calculation of spectroscopic factors with CCSD. Details of the calculation is presented and convergence properties, as well as the dependence on various model parameters are discussed. Interactions with different cut-offs are employed and the dependence of the SF on the interactions are studied. In the second paper we employ the angular momentum coupled SF expressions and the spherical formulation

Microwave Synthesis, Characterization, and Antimicrobial Activity of Some Novel Isatin Derivatives

Directory of Open Access Journals (Sweden)

Ayman El-Faham

2015-01-01

Full Text Available Three series of isatin derivatives [3-hydrazino, 3-thiosemicarbazino, and 3-imino carboxylic acid derivatives] were synthesized employing microwave irradiation. The prepared compounds were characterized by FT-IR, NMR, elemental analysis, and X-ray crystallography for derivatives 5b. The synthesized compounds were screened for antimicrobial activity against selected bacteria and fungi. The results revealed that the N-alkyl isatin derivatives were biologically active with different spectrums activity. Most of the 3-hydrazino and 3-thiosemicarbazino isatin derivatives were biologically inactive and generally the active derivatives showed weak to moderate activity mainly against Gram-positive bacteria. The imino isatin carboxylic acid derivatives (2-[4-(1-benzyl-5-bromo-2-oxoindolin-3-ylideneamino phenyl]acetic acid, 5d showed promising activity against all tested Gram-positive bacteria and against fungal pathogens.

Enzymatically-Catalyzed Polymerization (ECP)- Derived Polymer Electrolyte for Rechargeable Li-Ion Batteries

National Research Council Canada - National Science Library

Chua, David

1998-01-01

Report developed under SBIR contract covers the syntheses and electrochemical characterizations of novel polymer electrolytes derived from compounds synthesized via enzyme-catalyzed polymerization(ECP) techniques...

Electrochemical synthesis of novel {pi}-extended phenoxazine derivatives of porphyrincatecholes

Energy Technology Data Exchange (ETDEWEB)

Osati, Samira; Davarani, Saied Saeed Hosseiny [Department of Chemistry, Faculty of Science, Shahid Beheshti University, G.C, Evin, 1983963113 Tehran (Iran, Islamic Republic of); Safari, Nasser, E-mail: n-safari@cc.sbu.ac.ir [Department of Chemistry, Faculty of Science, Shahid Beheshti University, G.C, Evin, 1983963113 Tehran (Iran, Islamic Republic of); Banitaba, Mohammad Hossein [Department of Chemistry, Faculty of Science, Shahid Beheshti University, G.C, Evin, 1983963113 Tehran (Iran, Islamic Republic of)

2011-10-30

Three new functionalized phenoxazine-catechol porphyrins 7a-c have been synthesized by a green one-pot method and structurally characterized by spectroscopic analysis. The electro-oxidation of 5,10,15,20-tetrakis(2,3-dihydroxyphenyl) porphyrins(1a-c) with four catechol units in the presence of 2-aminophenol 8 as bidentate nucleophile has been done and phenoxazine rings have been formed by intermolecular and intramolecular Michael addition reactions. Spectroscopic characterization and voltammetry results have allowed us to propose four independent ECEC mechanisms for the electrochemical oxidation pathway. The functionalization of the porphyrins affected their photophysical properties. Expansion of the UV-vis spectrum range and the decrease of the fluorescence intensity of the products would support the energy transfer between the porphyrin core excited states to the four substitutions as the electron acceptor subunits. SEM images indicate that this method produces regularly shaped manganese porphyrin nano-particles 7c that possess a cubic nano structure.

Spectroscopic and molecular modeling study on the interaction of ctDNA with 3′-deoxy-3′-azido doxorubicin

International Nuclear Information System (INIS)

Geng, Shaoguang; Cui, Yanrui; Liu, Qingfeng; Cui, Fengling; Zhang, Guisheng; Chi, Yanwei; Peng, Hao

2013-01-01

The method of synthesizing 3′-deoxy-3′-azido doxorubicin (ADOX) directly from doxorubicin has been developed. This study presents the interaction between ADOX and calf thymus deoxyribonucleic acid (ctDNA) by using spectroscopic methods and molecular modeling techniques. Iodide quenching, fluorescence polarization, viscosity and molecular modeling studies of ADOX–ctDNA interactions indicated that ADOX was an intercalator of ctDNA and preferentially bound to C–G rich regions of ctDNA. Simultaneously, spectroscopic results indicated that the quenching mechanism of ADOX–ctDNA was a static quenching. According to thermodynamic parameters, electrostatic force played roles in the interaction of ADOX with ctDNA. -- Highlights: ●An approach to 3′-deoxy-3′-azido doxorubicin (ADOX) from doxorubicin was developed. ●The quenching mechanism of ADOX with ctDNA was a static quenching type. ●The binding mode between ADOX and ctDNA was intercalative binding. ●The results of molecular docking corroborated results of spectra investigations

Thermal, structural and spectroscopic investigations on Eu{sup 3+} doped boro-tellurite glasses

Energy Technology Data Exchange (ETDEWEB)

Selvaraju, K. [Department of Physics, Gandhigram Rural University, Gandhigram 624 302 (India); Marimuthu, K., E-mail: mari_ram2000@yahoo.com [Department of Physics, Gandhigram Rural University, Gandhigram 624 302 (India); Seshagiri, T.K.; Godbole, S.V. [Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

2011-12-15

Highlights: Black-Right-Pointing-Pointer Fundamental O-H, (BO{sub 3}){sup -} vibrations and B-O-B linkages in borate network explored. Black-Right-Pointing-Pointer The covalent nature of the Eu{sup 3+} ions with surrounding ligands have been confirmed. Black-Right-Pointing-Pointer B3TMK glass is found to be the best optical candidate for laser working at 612 nm. - Abstract: Eu{sup 3+} doped boro-tellurite glasses with the chemical composition (69 - x)B{sub 2}O{sub 3}-xTeO{sub 2}-15Mg{sub 2}O-15K{sub 2}O-1Eu{sub 2}O{sub 3} (where x = 0, 10, 20, 30 and 40 wt%) have been synthesized and its thermal, structural and spectroscopic behavior were studied and reported. The thermal behavior of the Eu{sup 3+} doped boro-tellurite glasses were explored through DTA thermograms. The presence of varying tellurium dioxide results in structural and spectroscopic changes around Eu{sup 3+} ions and are explored through XRD, FTIR, UV-vis, Luminescence and lifetime measurements. The XRD pattern confirms the amorphous nature and the FTIR spectra reveal the formation of the local structural units BO{sub 3} and BO{sub 4} in the prepared glasses. The bonding parameters (-bar {beta} and {delta}) have been calculated based on the observed band positions of the absorption spectra. The Judd-Ofelt (JO) parameters were determined from the absorption and luminescence spectra and the results are presented. The variation in the JO intensity parameters {Omega}{sub {lambda}} ({lambda} = 2, 4 and 6) and the hypersensitive band positions with the change in chemical composition have been discussed in detail. The JO parameters have been used to derive important radiative properties like transition probabilities (A), branching ratios ({beta}{sub R}) and peak stimulated emission cross section ({sigma}E/P) for the {sup 5}D{sub 0} {yields} {sup 7}F{sub J} (J = 1, 2, 3 and 4) transitions of the Eu{sup 3+} ions. The varying optical properties of the prepared glasses with the change in tellurium dioxide have

Amino Acid and Peptide Immobilization on Oxidized Nanocellulose: Spectroscopic Characterization

Science.gov (United States)

Barazzouk, Saïd; Daneault, Claude

2012-01-01

In this work, oxidized nanocellulose (ONC) was synthesized and chemically coupled with amino acids and peptides using a two step coupling method at room temperature. First, ONC was activated by N-ethyl-N’-(3-dimethylaminopropyl) carbodiimide hydrochloride, forming a stable active ester in the presence of N-hydroxysuccinimide. Second, the active ester was reacted with the amino group of the amino acid or peptide, forming an amide bond between ONC and the grafted molecule. Using this method, the intermolecular interaction of amino acids and peptides was avoided and uniform coupling of these molecules on ONC was achieved. The coupling reaction was very fast in mild conditions and without alteration of the polysaccharide. The coupling products (ONC-amino acids and ONC-peptides) were characterized by transmission electron microscopy and by the absorption, emission, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) spectroscopic techniques. PMID:28348303

Amino Acid and Peptide Immobilization on Oxidized Nanocellulose: Spectroscopic Characterization

Directory of Open Access Journals (Sweden)

Claude Daneault

2012-06-01

Full Text Available In this work, oxidized nanocellulose (ONC was synthesized and chemically coupled with amino acids and peptides using a two step coupling method at room temperature. First, ONC was activated by N-ethyl-N’-(3-dimethylaminopropyl carbodiimide hydrochloride, forming a stable active ester in the presence of N-hydroxysuccinimide. Second, the active ester was reacted with the amino group of the amino acid or peptide, forming an amide bond between ONC and the grafted molecule. Using this method, the intermolecular interaction of amino acids and peptides was avoided and uniform coupling of these molecules on ONC was achieved. The coupling reaction was very fast in mild conditions and without alteration of the polysaccharide. The coupling products (ONC-amino acids and ONC-peptides were characterized by transmission electron microscopy and by the absorption, emission, Fourier transform infrared spectroscopy (FTIR and X-ray photoelectron spectroscopy (XPS spectroscopic techniques.

The early-type strong emission-line supergiants of the Magellanic Clouds - A spectroscopic zoology

Science.gov (United States)

Shore, S. N.; Sanduleak, N.

1984-01-01

The results of a spectroscopic survey of 21 early-type extreme emission line supergiants of the Large and Small Magellanic Clouds using IUE and optical spectra are presented. The combined observations are discussed and the literature on each star in the sample is summarized. The classification procedures and the methods by which effective temperatures, bolometric magnitudes, and reddenings were assigned are discussed. The derived reddening values are given along with some results concerning anomalous reddening among the sample stars. The derived mass, luminosity, and radius for each star are presented, and the ultraviolet emission lines are described. Mass-loss rates are derived and discussed, and the implications of these observations for the evolution of the most massive stars in the Local Group are addressed.

Synthesis and biological evaluation of 2-substituted benzimidazole derivatives

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Gurusamy Mariappan

2015-09-01

Full Text Available A novel series of 2-substituted benzimidazole derivatives (3a–3j were synthesized by the reaction of 2-chloro methyl benzimidazole with substituted primary aromatic amines. All the compounds were characterized by UV, IR, 1H NMR, mass spectral data and CHN elemental analysis. The synthesized derivatives were screened for analgesic and anti-inflammatory activities. All the compounds showed significant effect at 100 mg/kg p.o. and the experimental data are statistically significant at p < 0.01 level.

Design of geometry, synthesis, spectroscopic (FT-IR, UV/Vis, excited state, polarization) and anisotropy (thermal conductivity and electrical) properties of new synthesized derivatives of (E,E)-azomethines in colored stretched poly (vinyl alcohol) matrix

Science.gov (United States)

Shahab, Siyamak; Sheikhi, Masoome; Filippovich, Liudmila; Dikusar, Evgenij; Yahyaei, Hooriye; Kumar, Rakesh; Khaleghian, Mehrnoosh

2018-04-01

In the present work, the molecular structures of two new azomethine dyes: have been predicted and investigated using Density Functional Theory (DFT) in dimethylformamide (DMF). The geometries of the azomethine dyes were optimized by B3LYP/6-31+G* level of theory. The electronic spectra of these azomethine dyes in a DMF solvent was carried out by using TD-B3LYP/6-31+G* method. After quantum-chemical calculations two new azomethine dyes for optoelectronic applications were synthesized. FT-IR spectra of the title compounds are recorded and discussed. The computed absorption spectral data of the azomethine dyes are in good agreement with the experimental data, thus allowing an assignment of the UV/Vis spectra. On the basis of polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for visible region of spectrum were developed. The main optical parameters of the polarizing PVA-films (Transmittance, Polarization Efficiency and Dichroic Ratio) have been measured and discussed. Anisotropy of thermal and electrical conductivity of the PVA-films have been studied and explained.

Synthesis, Spectroscopic Characterization, and Biological Activities of Metal Complexes of 4-((4-Chlorophenyldiazenyl-2-((p-tolyliminomethylphenol

Directory of Open Access Journals (Sweden)

C. Anitha

2013-01-01

Full Text Available Azo Schiff base complexes of VO(II, Mn(II, Co(II, Ni(II, Cu(II, and Zn(II have been synthesized from 4-((4-chlorophenyldiazenyl-2-((p-tolyliminomethylphenol (CDTMP. The nature of bonding and the structural features of the complexes have been deduced from elemental analysis, molar conductance, magnetic susceptibility measurements, IR, UV-Vis, 1H-NMR, EPR, mass, SEM, and fluorescence spectral studies. Spectroscopic and other analytical studies reveal square-planar geometry for copper, square-pyramidal geometry for oxovanadium, and octahedral geometry for other complexes. The EPR spectra of copper(II complex in DMSO at 300 K and 77 K were recorded, and its salient features are reported. Antimicrobial studies against several microorganisms indicate that the complexes are more potent bactericides and fungicides than the ligand. The electrochemical behavior of the copper(II complex was studied by cyclic voltammetry. All the synthesized compounds can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic conversion efficiency of the synthesized azo Schiff base was found to be higher than that of urea and KDP (potassium dihydrogen phosphate. SEM image of copper(II complex implies the crystalline state and surface morphology of the complex.

Synthesis and biological activity of N-{l_brace}5-(4-methylphenyl) diazenyl-4-phenyl-1, 3-thiazole-2-yl{r_brace}benzamide derivatives

Energy Technology Data Exchange (ETDEWEB)

Prajapati, Ashishkumar K.; Modi, Vishal P. [The M.S. University of Baroda, Gujarat (India). Faculty of Technology and Engineering. Applied Chemistry Dept.

2011-07-01

In the present study, various amides of 2-amino-5-(4-methylphenyl)-diazenyl-4-phenyl-1, 3-thiazole was synthesized and their biological activities were evaluated. All the synthesized compounds were characterized by the combination of elemental analysis and standard spectroscopic methods. They are screened for anti-bacterial activity against Escherichia coli and Staphylococcus aureus as well as screened for antifungal activity against Aspergillus niger and Aspergillus oryzae by cup plate method at 1 {mu}g/ mL concentration in DMF. (author)

Spectroscopic studies of Eu(III) Keggin's and Dawson's polyoxotungstates substituted by acetato and oxalato ligands

International Nuclear Information System (INIS)

But, Slawomir; Lis, Stefan

2008-01-01

Eu(III) Keggin's and Dawson's type of polyoxometalates (POM) complexes were synthesized and spectroscopically characterized. This work presents results obtained for chosen hybrids of acetato K 12 [{Eu(SiMo x W 11-x O 39 )(H 2 O)} 2 (CH 3 COO) 2 ].nH 2 O, K 16 [{Eu(CH 3 COO)(H 2 O) 2 (P 2 W 17 O 61 )} 2 ].nH 2 O and oxalato (NH 4 ) 29 K 5 [{Eu(P 2 W 17 O 61 )} 4 (C 2 O 4 ) 3 (H 2 O) 4 ].nH 2 O, where x = 0, 1. The solid state compositions of the hybrids were characterized by using elemental and ICP-AES analysis, derivatography and FTIR spectroscopy. Luminescence characteristics (intensity, quantum yields, luminescence lifetimes and excitation spectra in the range of the 5 D 0 7 F 0 transition) of the synthesized Eu(III) acetato and oxalato complexes were determined in the solid phase and in solution, and they were compared to their parent Eu(III):POM complexes of 1:1 stoichiometry (ML)

Photochemistry and photopolymerisation activity of novel thioxanthone derivatives

International Nuclear Information System (INIS)

Nik Ghazali Salleh; Allen, N.S.; Edge, M.; Shah, M.; Green, A.

1999-01-01

In this paper, we aim to examine the influence of a range of 4-oxy substituted groups on the photochemical and photopolymerization of 1-chloro- and 1-phenylthio-thioxanhone. Here we have examined the effect of a number of acyloxy groups attached to the ring 4-position. The study includes a spectroscopic and photoinitiated polymerization evaluation using real time infrared and photocalorimetry. The photoactivities of the initiators are compared with those of the standard industrial system such as the 4-n-propoxy derivative and the basic compound like the 1-chloro-4-hydroxyl derivative which was used to synthesise all the derivatives examined here

Dielectric and impedance spectroscopic studies of neodymium gallate

Energy Technology Data Exchange (ETDEWEB)

Sakhya, Anup Pradhan, E-mail: npshakya31@gmail.com [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata 700009 (India); Dutta, Alo [Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Sinha, T.P. [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata 700009 (India)

2016-05-01

The AC electrical properties of a polycrystalline neodymium gallate, NdGaO{sub 3} (NGO), synthesized by the sol–gel method have been investigated by employing impedance spectroscopy in the frequency range from 42 Hz to 5 MHz and in the temperature range from 323 K to 593 K. The X-ray diffraction analysis shows that the compound crystallizes in the orthorhombic phase with Pbnm space group at room temperature. Two relaxation processes with different relaxation times are observed from the impedance as well as modulus spectroscopic measurements, which have been attributed to the grain and the grain boundary effects at different temperatures in NGO. The complex impedance data are analyzed by an electrical equivalent circuit consisting of a resistance and a constant phase element in parallel. It has been observed that the value of the capacitance and the resistance associated with the grain boundary is higher than those associated with the grain. The temperature dependent electrical conductivity shows the negative temperature coefficient of resistance. The frequency dependent conductivity spectra are found to follow the power law.

Synthesis and antimicrobial activities of novel 1,4-benzothiazine derivatives

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Vijay V. Dabholkar

2016-09-01

Full Text Available A series of 2H,4H-2-[3,5-dimethyl-4-(substituted phenyl azo pyrazol-1-yl] carbonyl methyl-3-oxo-1,4-benzothiazine derivatives have been synthesized by the reaction of 2H,4H-2-hydrazino carbonyl methyl-3-oxo-1,4-benzothiazine with acetyl acetone derivatives using ultrasound in lesser time with higher yields. All the synthesized compounds were investigated for their antibacterial activities. The result indicated that the compounds show convincing activities against Gram-positive bacteria (Bacillus subtilis and Streptococcus lactis when compared with standard drug (ampicillin trihydrate. These compounds were also synthesized by conventional method and their structures have been elucidated on the basis of spectral analyses and chemical reactions.

Spectroscopic surveys of LAMOST

International Nuclear Information System (INIS)

Zhao Yongheng

2015-01-01

The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST), a new type of reflecting Schmidt telescope, has been designed and produced in China. It marks a breakthrough for large scale spectroscopic survey observation in that both large aperture and wide field of view have been achieved. LAMOST has the highest spectrum acquisition rate, and from October 2011 to June 2014 it has obtained 4.13 million spectra of celestial objects, of which 3.78 million are spectra of stars, with the stellar parameters of 2.20 million stars included. (author)

Syntheses and characterization of liposome-incorporated adamantyl aminoguanidines.

Science.gov (United States)

Šekutor, Marina; Štimac, Adela; Mlinarić-Majerski, Kata; Frkanec, Ruža

2014-08-21

A series of mono and bis-aminoguanidinium adamantane derivatives has been synthesized and incorporated into liposomes. They combine two biomedically significant molecules, the adamantane moiety and the guanidinium group. The adamantane moiety possesses the membrane compatible features while the cationic guanidinium subunit was recognized as a favourable structural feature for binding to complementary molecules comprising phosphate groups. The liposome formulations of adamantyl aminoguanidines were characterized and it was shown that the entrapment efficiency of the examined compounds is significant. In addition, it was demonstrated that liposomes with incorporated adamantyl aminoguanidines effectively recognized the complementary liposomes via the phosphate group. These results indicate that adamantane derivatives bearing guanidinium groups might be versatile tools for biomedical application, from studies of molecular recognition processes to usage in drug formulation and cell targeting.

Studies on Oligomer Metal Complexes Derived from Bisamic Acid of Pyromellitic Dianhydride and 4-Bromoaniline

OpenAIRE

Patel, Yogesh S.

2014-01-01

Novel oligomer metal complexes (2a–f) of the ligand 2,5-bis((4-bromophenyl)carbamoyl) terephthalic acid (1) were prepared using transition metal salts and characterized by various spectroscopic techniques. The geometry of oligomer metal complexes was carried out by electronic spectral analysis and magnetic measurement studies. Polymeric properties have also been carried out. Ligand was synthesized using pyromellitic dianhydride and 4-bromoaniline. It was duly characterized. All novel synthesi...

Synthesis of Substituted α-Trifluoromethyl Piperidinic Derivatives

Directory of Open Access Journals (Sweden)

Sarah Rioton

2017-03-01

Full Text Available A comprehensive survey of pathways leading to the generation of α-trifluoromethyl monocyclic piperidinic derivatives is provided (65 references. These compounds have been synthesized either from 6-membered rings e.g., pipecolic acid or lactam derivatives by introduction a trifluoromethyl group, from pyridine or pyridinone derivatives by reduction, and from 5-membered rings e.g., prolinol derivatives by ring expansion, from linear amines by cyclization or from dienes/dienophiles by [4 + 2]-cycloaddition.

Synthesis of specific deuterium labeled tyrosine and phenylalanine derivatives and their use in the total synthesis of [8-arginine]vasopressin derivatives: the separation of diastereomeric [8-arginine]vasopressin derivatives by partition chromatography

International Nuclear Information System (INIS)

Yamamoto, D.M.; Upson, D.A.; Linn, D.K.; Hruby, V.J.

1977-01-01

Derivatives of tyrosine specifically deuterated at the α carbon ([α- 2 H 1 ]tyrosine) and at both the α and β carbons ([α,β,β- 2 H 3 ]tyrosine) and a derivative of phenylalanine specifically deuterated at the α carbon ([α- 2 H 1 ]phenylalanine) have been synthesized in high yield. These labeled compounds have been resolved enzymatically, and the enantiomers and racemates have been converted to N-tert-butyloxycarbonyl derivatives. The deuterium labels were not exchanged under the conditions of the syntheses. The protected derivatives as well as specifically deuterated derivatives of S-benzylcysteine and of glycine were used to prepare specifically deuterated analogues of [8-arginine] vasopressin using solid phase peptide procedures. The use of improved synthetic procedures resulted in considerable improvements in the yields of [8-arginine]vasopressin compared with previous reports. In addition, new solvent systems for partition chromatography purification of [8-arginine]vasopressin on Sephadex were developed which allowed a facile one-step separation of diastereomers of [8-arginine]vasopressin containing a racemic amino acid at either the 1-hemicystine or the 2-tyrosine positions of the hormone

THE zCOSMOS 10k-BRIGHT SPECTROSCOPIC SAMPLE

International Nuclear Information System (INIS)

Lilly, Simon J.; Maier, Christian; Carollo, Marcella; Caputi, Karina; Le Brun, Vincent; Kneib, Jean-Paul; Le Fevre, Olivier; De la Torre, Sylvain; De Ravel, Loic; Mainieri, Vincenzo; Mignoli, Marco; Zamorani, Gianni; Bardelli, Sandro; Bolzonella, Micol; Coppa, Graziano; Scodeggio, Marco; Contini, Thierry; Renzini, Alvio; Bongiorno, Angela; Cucciati, Olga

2009-01-01

We present spectroscopic redshifts of a large sample of galaxies with I AB -1 , independent of redshift. The reliability of individual redshifts is described by a Confidence Class that has been empirically calibrated through repeat spectroscopic observations of over 600 galaxies. There is very good agreement between spectroscopic and photometric redshifts for the most secure Confidence Classes. For the less secure Confidence Classes, there is a good correspondence between the fraction of objects with a consistent photometric redshift and the spectroscopic repeatability, suggesting that the photometric redshifts can be used to indicate which of the less secure spectroscopic redshifts are likely right and which are probably wrong, and to give an indication of the nature of objects for which we failed to determine a redshift. Using this approach, we can construct a spectroscopic sample that is 99% reliable and which is 88% complete in the sample as a whole, and 95% complete in the redshift range 0.5 < z < 0.8. The luminosity and mass completeness levels of the zCOSMOS-bright sample of galaxies is also discussed.

Nickel oxide/hydroxide nanoplatelets synthesized by chemical precipitation for electrochemical capacitors

International Nuclear Information System (INIS)

Wu, M.-S.; Hsieh, H.-H.

2008-01-01

Nickel hydroxide powder prepared by directly chemical precipitation method at room temperature has a nanoplatelet-like morphology and could be converted into nickel oxide at annealing temperature higher than 300 deg. C, confirmed by the thermal gravimetric analysis and X-ray diffraction. Annealing temperature influences significantly both the electrical conductivity and the specific surface area of nickel oxide/hydroxide powder, and consequently determines the capacitor behavior. Electrochemical capacitive behavior of the synthesized nickel hydroxide/oxide film is investigated by cyclic voltammetry and electrochemical impedance spectroscope methods. After 300 deg. C annealing, the highest specific capacitance of 108 F g -1 is obtained at scan rate of 10 mV s -1 . When annealing temperature is lower than 300 deg. C, the electrical conductivity of nickel hydroxide dominates primarily the capacitive behavior. When annealing temperature is higher than 300 deg. C, both electrical conductivity and specific surface area of the nickel oxide dominate the capacitive behavior

Molecular Docking and Anticonvulsant Activity of Newly Synthesized Quinazoline Derivatives

Directory of Open Access Journals (Sweden)

Hatem A. Abuelizz

2017-06-01

Full Text Available A new series of quinazoline-4(3H-ones are evaluated for anticonvulsant activity. After intraperitoneal (ip injection to albino mice at a dose of 100 mg/kg body weight, synthesized quinazolin-4(3H-ones (1–24 were examined in the maximal electroshock (MES induced seizures and subcutaneous pentylenetetrazole (scPTZ induced seizure models in mice. The Rotarod method was applied to determine the neurotoxicity. Most of the compounds displayed anticonvulsant activity in the scPTZ screen at a dose range of 0.204–0.376 mmol/mL. Out of twenty-four, compounds 8, 13 and 19 proved to be the most active with a remarkable protection (100% against PTZ induced convulsions and four times more potent activity than ethosuximide. The structure-activity relationship concluded valuable pharmacophoric information, which was confirmed by the molecular docking studies using the target enzyme human carbon anhydrase II (HCA II. The studied quinazoline analogues suggested that the butyl substitution at position 3 has a significant effect on preventing the spread of seizure discharge and on raising the seizure threshold. However, benzyl substitution at position 3 has shown a strong anticonvulsant activity but with less seizure prevention compared to the butyl substitution.

Spectroscopic characterization of alkaline earth uranyl carbonates

International Nuclear Information System (INIS)

Amayri, Samer; Reich, Tobias; Arnold, Thuro; Geipel, Gerhard; Bernhard, Gert

2005-01-01

A series of alkaline uranyl carbonates, M[UO 2 (CO 3 ) 3 ].nH 2 O (M=Mg 2 , Ca 2 , Sr 2 , Ba 2 , Na 2 Ca, and CaMg) was synthesized and characterized by inductively coupled plasma mass spectrometry (ICP-MS) and atomic absorption spectrometry (AAS) after nitric acid digestion, X-ray powder diffraction (XRD), and thermal analysis (TGA/DTA). The molecular structure of these compounds was characterized by extended X-ray absorption fine-structure (EXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS). Crystalline Ba 2 [UO 2 (CO 3 ) 3 ].6H 2 O was obtained for the first time. The EXAFS analysis showed that this compound consists of (UO 2 )(CO 3 ) 3 clusters similar to the other alkaline earth uranyl carbonates. The average U-Ba distance is 3.90+/-0.02A.Fluorescence wavelengths and life times were measured using time-resolved laser-induced fluorescence spectroscopy (TRLFS). The U-O bond distances determined by EXAFS, TRLFS, XPS, and Raman spectroscopy agree within the experimental uncertainties. The spectroscopic signatures observed could be useful for identifying uranyl carbonate species adsorbed on mineral surfaces

Spectroscopic Characterization of Omeprazole and Its Salts

Directory of Open Access Journals (Sweden)

Tomislav Vrbanec

2017-01-01

Full Text Available During drug development, it is important to have a suitable crystalline form of the active pharmaceutical ingredient (API. Mostly, the basic options originate in the form of free base, acid, or salt. Substances that are stable only within a certain pH range are a challenge for the formulation. For the prazoles, which are known to be sensitive to degradation in an acid environment, the formulation is stabilized with alkaline additives or with the application of API formulated as basic salts. Therefore, preparation and characterization of basic salts are needed to monitor any possible salinization of free molecules. We synthesized salts of omeprazole from the group of alkali metals (Li, Na, and K and alkaline earth metals (Mg, Ca. The purpose of the presented work is to demonstrate the applicability of vibrational spectroscopy to discriminate between the OMP and OMP-salt molecules. For this reason, the physicochemical properties of 5 salts were probed using infrared and Raman spectroscopy, NMR, TG, DSC, and theoretical calculation of vibrational frequencies. We found out that vibrational spectroscopy serves as an applicable spectroscopic tool which enables an accurate, quick, and nondestructive way to determine the characteristic of OMP and its salts.

Study of photocatalytic asset of the ZnSnO3 synthesized by green chemistry

Directory of Open Access Journals (Sweden)

Ashok V. Borhade

2017-02-01

Full Text Available In this paper, we report a simple one-step mechanochemical synthesis method with a green chemistry approach for a light-induced heterogeneous oxide photocatalyst, ZnSnO3. The catalyst was characterized by various investigative techniques, like Infrared Fourier Transform Spectroscopy, Diffused Reflectance UV–visible Spectroscopy, X-ray Diffraction, Scanning Electron Microscopy, Tunnelling Electron Microscopy, and Thermogravimetric analysis to carry out structural and spectroscopic properties of the photocatalyst. The synthesized ZnSnO3 particles had an average size of 105 nm with a band gap of 3.34 eV. The photocatalyst was thermally stable over a wide range of temperatures. The sunlight mediated degradation of Methyl blue, Indigo carmine and Acid violet dyes were achieved by using ZnSnO3.

Rational Design and Synthesis of Biologically Active Disubstituted 2(3H) Furanones and Pyrrolone Derivatives as Potent and Safer Non Steroidal Anti-inflammatory Agents.

Science.gov (United States)

Khokra, S L; Khan, S A; Choudhary, D; Hasan, S M; Ahmad, A; Husain, Asif

2016-01-01

Furanone and pyrrolone heterocyclic ring system represent important and interesting classes of bioactive compounds. Medicinal chemists use these heterocycyclic moieties as scaffolds in drug design and discovery. A series of 3-arylidene-5-(naphthalene-2-yl)-furan-2(3H)-ones (2a-j) were synthesized by incorporating pharmacophore of COX-2 inhibitor rofecoxib and naphthyl ring of naproxen as potential non steroidal anti-inflammatory agents. These furanone derivatives were subsequently reacted with dry ammonia gas and benzylamine to furnish corresponding 3-arylidene-5-(naphthlen-2-yl)-1H-pyrrol-2(3H)-ones (3a-e) and 3-arylidene-1-benzyl-5- (naphthalene-2-yl)-1H-pyrrol-2(3H)-ones (4a-e), respectively. The newly prepared heterocyclics were screened for their expected in-vivo biological activities including anti-inflammatory, analgesic and ulcerogenic actions in rodents. The COX-2 inhibitory behavior of synthesized compounds was also assessed via automated docking studies. The chemical structure of the synthesized compounds was characterized by using modern spectroscopic techniques. Result of in-vivo pharmacological studies demonstrated that almost all N-Benzyl-pyrrol-2(3H)-ones (4a-e) showed better anti-inflammatory and analgesic activities in comparison with the other two series of furan-2(3H)-ones and pyrrol- 2(3H)-ones. The moldock score value of the tested compounds was found in the range of -116.66 to -170.328 and was better than the standard drug. Among all the synthesized compounds, only nine compounds (2d, 2g, 2h, 3d, 4a, 4b, 4c, 4d and 4e) exhibited potent anti-inflammatory and analgesic activities with significantly reduced gastrointestinal toxicity in various animal models in comparison to standard drug, diclofenac. Therefore, it is recommended to explore the potential of the synthesized compounds as lead candidates for the development of new therapeutic agents.

THE APOKASC CATALOG: AN ASTEROSEISMIC AND SPECTROSCOPIC JOINT SURVEY OF TARGETS IN THE KEPLER FIELDS

Energy Technology Data Exchange (ETDEWEB)

Pinsonneault, Marc H.; Epstein, Courtney; Johnson, Jennifer A. [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States); Elsworth, Yvonne; Chaplin, William J. [University of Birmingham, School of Physics and Astronomy, Edgbaston, Birmingham B15 2TT (United Kingdom); Hekker, Saskia; Silva Aguirre, Victor; Stello, Dennis [Stellar Astrophysics Centre, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Mészáros, Sz. [Astronomy Department, Indiana University, Bloomington, IN 47405 (United States); García, Rafael A.; Beck, Paul [Laboratoire AIM, CEA/DSM-CNRS—Université Denis Diderot-IRFU/SAp, F-91191 Gif-sur-Yvette Cedex (France); Holtzman, Jon [Department of Astronomy, MSC 4500, New Mexico State University, P.O. Box 30001, Las Cruces, NM 88003 (United States); Mathur, Savita [Space Science Institute, 4750 Walnut street, Suite 205, Boulder, CO 80301 (United States); García Pérez, Ana [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Girardi, Léo [Osservatorio Astronomico di Padova—INAF, Vicolo dell' Osservatorio 5, I-35122 Padova (Italy); Basu, Sarbani [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Shetrone, Matthew [University of Texas at Austin, McDonald Observatory, 32 Fowlkes Road, TX 79734-3005 (United States); Allende Prieto, Carlos [Instituto de Astrofsica de Canarias (IAC), C/Va Lactea, s/n, E-38200 La Laguna, Tenerife (Spain); An, Deokkeun [Department of Science Education, Ewha Womans University, Seoul (Korea, Republic of); Beers, Timothy C., E-mail: pinsonneault.1@osu.edu [Department of Physics, University of Notre Dame, 225 Nieuwland Science Hall, Notre Dame, IN 46656 (United States); and others

2015-01-01

We present the first APOKASC catalog of spectroscopic and asteroseismic properties of 1916 red giants observed in the Kepler fields. The spectroscopic parameters provided from the Apache Point Observatory Galactic Evolution Experiment project are complemented with asteroseismic surface gravities, masses, radii, and mean densities determined by members of the Kepler Asteroseismology Science Consortium. We assess both random and systematic sources of error and include a discussion of sample selection for giants in the Kepler fields. Total uncertainties in the main catalog properties are of the order of 80 K in T {sub eff}, 0.06 dex in [M/H], 0.014 dex in log g, and 12% and 5% in mass and radius, respectively; these reflect a combination of systematic and random errors. Asteroseismic surface gravities are substantially more precise and accurate than spectroscopic ones, and we find good agreement between their mean values and the calibrated spectroscopic surface gravities. There are, however, systematic underlying trends with T {sub eff} and log g. Our effective temperature scale is between 0 and 200 K cooler than that expected from the infrared flux method, depending on the adopted extinction map, which provides evidence for a lower value on average than that inferred for the Kepler Input Catalog (KIC). We find a reasonable correspondence between the photometric KIC and spectroscopic APOKASC metallicity scales, with increased dispersion in KIC metallicities as the absolute metal abundance decreases, and offsets in T {sub eff} and log g consistent with those derived in the literature. We present mean fitting relations between APOKASC and KIC observables and discuss future prospects, strengths, and limitations of the catalog data.

Synthesis, characterization and antimicrobial activities of a Schiff ...

African Journals Online (AJOL)

Complexes of Cu(II), Ni(II) and Mn(II) with a Schiff base derived from condensation reaction of phenylalanine and acetylacetone have been synthesized and characterized analytically and spectroscopically. Melting point of the Schiff base was 188oC and the complexes decompose within a temperature range of 210-242oC.

Synthesis, characterization and biological behavior of some Schiff's and Mannich base derivatives of Lamotrigine

Directory of Open Access Journals (Sweden)

A.A. Kulkarni

2017-02-01

Full Text Available A series of various Schiff's and Mannich base derivatives (N1–2 & ND1–6 of Lamotrigine with isatin and substituted isatin were synthesized to get more potent anticonvulsant agents. The starting material for the synthesis of various new Schiff's and Mannich base derivatives was isatin (1H-indole- 2, 3-dione which in turn was prepared from substituted isonitrosoacetanilide using aniline. Lamotrigine reacts with isatin & substituted isatin gave Schiff's bases (N1–2 which on reaction with various secondary amines (dimethylamine, diethylamine, morpholine produced Mannich bases (ND1–6. The structures of newly synthesized compounds were characterized by using TLC, UV, FT-IR, 1HNMR and studied for their anticonvulsant activity. Anticonvulsant activity of all the derivatives was evaluated by MES method using phenobarbitone sodium & Lamotrigine as standard drugs and % reduction of time spent by animals in extension, flexion, clonus, and stupor phase were noted. Compounds ND-4 and ND-6 showed significant anticonvulsant activity when compared with that of standard drugs. The remaining all compounds show moderate activity. Biological activity data of the synthesized derivatives revealed that, the synthesized derivatives are good anticonvulsant agents as compared to Lamotrigine.

Synthesis, Characterization and Antimicrobial Activity of New Thiadiazole Derivatives

Energy Technology Data Exchange (ETDEWEB)

Mullick, Pooja; Khan, Suroor A.; Verma, Surajpal; Alam, Ozair [Hamdard University, New Delhi (India)

2010-08-15

A series of thiadiazole derivatives were synthesized with differently substituted benzoic acids which were cyclized to give differently substituted thiazolidin-4-one. Elemental analysis, IR, {sup 1}H NMR, {sup 13}C NMR and mass spectral data confirmed the structure of the newly synthesized compounds. The derivatives of these moieties were evaluated for antimicrobial activity. Most of the synthesized compounds showed good antimicrobial activity at 200 and 100 μg/mL. Compounds showed most significant antibacterial activity against gram negative test organism Escherichia coli and most significant antifungal activity against test organisms Aspergillus niger and Candida albicans. It was observed that compounds with OCH{sub 3} at 3, 4 position of phenyl ring [5(a-l)] were more potent against microbes as compared to compounds having unsubstituted phenyl ring [4(a-l)].

Supercapacitive properties of hydrothermally synthesized sphere like MoS2 nanostructures

International Nuclear Information System (INIS)

Krishnamoorthy, Karthikeyan; Veerasubramani, Ganesh Kumar; Radhakrishnan, Sivaprakasam; Kim, Sang Jae

2014-01-01

Highlights: • MoS 2 nanostructures were synthesized by hydrothermal method. • Randomly stacked MoS 2 was obtained. • FE-SEM studies show the sphere like morphology of MoS 2 . • Specific capacitance of 92.85 F/g was achieved using charge–discharge analysis. • MoS 2 electrode shows capacitance retention of about 93.8% after 1000 cycles. - Abstract: In this communication, we have investigated the supercapacitive behaviour of MoS 2 nanostructures prepared by a facile one-pot hydrothermal approach using ammonium heptamolybdate and thiourea as starting materials. The X-ray diffraction study revealed the formation of randomly stacked layers of MoS 2 . The field-emission scanning electron microscope studies suggested the formation of sphere like MoS 2 nanostructures and a plausible mechanism for the formation of the obtained structure is discussed. The cyclic voltammetry study shows the typical rectangular shaped curves with a specific capacitance of 106 F/g at a scan rate of 5 mV/s. Galvanostatic charge–discharge measurements suggested the maximum specific capacitance of about 92.85 F/g at discharge current density of 0.5 mA/cm 2 . Cyclic stability tests revealed the capacitance retention of about 93.8% after 1000 cycles suggesting a good cyclic capacity of the prepared MoS 2 . The electrochemical impedance spectroscopic results such as Nyquist and Bode phase angle plots suggested that the hydrothermally synthesized MoS 2 nanostructures will be a suitable candidate for electrochemical supercapacitor applications

Comparative Interactions of Dihydroquinazolin Derivatives with Human Serum Albumin Observed via Multiple Spectroscopy

Directory of Open Access Journals (Sweden)

Yi Wang

2017-02-01

Full Text Available The interactions of dihydroquinazolines with human serum albumin (HSA were studied in pH 7.4 aqueous solution via fluorescence, circular dichroism (CD and Fourier transform infrared (FTIR spectroscopic techniques. In this work, 6-chloro-1-(3,3-dimethyl-butanoyl-2(unsubstitutedphenyl-2,3-dihydroquinazolin-4(1H-one (PDQL derivatives were designed and synthesized to study the impact of five similar substituents (methyl, methoxy, cyano, trifluoromethyl and isopropyl on the interactions between PDQL and HSA using a comparative methodology. The results revealed that PDQL quenched the intrinsic fluorescence of HSA through a static quenching process. Displacement experiments with site-specific markers revealed that PDQL binds to HSA at site II (subdomain IIIA and that there may be only one binding site for PDQL on HSA. The thermodynamic parameters indicated that hydrophobic interactions mainly drove the interactions between PDQL and HSA. The substitution using five similar groups in the benzene ring could increase the interactions between PDQL and HSA to some extent through the van der Waals force or hydrogen bond effects in the proper temperature range. Isopropyl substitution could particularly enhance the binding affinity, as observed via comparative studies

Penicillipyrones A and B, meroterpenoids from a marine-derived Penicillium sp. fungus.

Science.gov (United States)

Liao, Lijuan; Lee, Jung-Ho; You, Minjung; Choi, Tae Joon; Park, Wanki; Lee, Sang Kook; Oh, Dong-Chan; Oh, Ki-Bong; Shin, Jongheon

2014-02-28

Penicillipyrones A (1) and B (2), two novel meroterpenoids, were isolated from the marine-derived fungus Penicillium sp. On the basis of the results of combined spectroscopic analyses, these compounds were structurally elucidated to be sesquiterpene γ-pyrones from a new skeletal class derived from a unique linkage pattern between the drimane sesquiterpene and pyrone moieties. Compound 2 elicited significant induction of quinone reductase.

Spectroscopic study and enhanced thermostability of combustion-derived BaMgAl10O17:Eu2+ blue phosphors for solid-state lighting

Science.gov (United States)

Pradal, Nathalie; Potdevin, Audrey; Chadeyron, Geneviève; Bonville, Pierre; Caillier, Bruno; Mahiou, Rachid

2017-02-01

Blue-emitting BaMgAl10O17:Eu2+ (BAM:Eu), suitable for applications in a next generation of Hg-free lamps based on UV LEDs, was prepared by a microwave induced solution combustion synthesis, using urea as combustion fuel and nitrates as oxidizers. Purity control of the as-synthesized blue phosphor was undertaken by a washing step followed by a reduction one. Structural and morphological properties of the outcoming phosphors have been considered. Synthesis process allows producing a well-crystallized and nanostructured BAM phase within only few minutes. The influence of reduction treatment on the relative amounts of Eu2+/Eu3+ in our samples has been investigated through an original study by magnetization and Mössbauer spectroscopy. Furthermore, a complete optical study has been carried out and allowed us to determine the europium localization in the three possible sites in BAM matrix. The percentage of Eu2+ increased twofold after the reduction treatment, entailing an increase in the luminescence efficiency upon UV excitation. Finally, temperature-dependent luminescence of combustion-derived powders has been studied till 170 °C and compared to that of commercial BAM:Eu. MISCS-derived phosphors present a higher thermal stability than commercial one: whereas the emission efficiency of this last was reduced by 64%, the one of combustion-derived BAM:Eu experienced an only 12% decline. Furthermore, while commercial BAM suffered from a severe blue-shift with increasing temperature, our phosphors keep its color quality with a good stability of the photometric parameters.

Isohexide and Sorbitol-Derived, Enzymatically Synthesized Renewable Polyesters with Enhanced Tg.

Science.gov (United States)

Gustini, Liliana; Lavilla, Cristina; de Ilarduya, Antxon Martínez; Muñoz-Guerra, Sebastián; Koning, Cor E

2016-10-10

Sugar-based polyesters derived from sorbitol and isohexides were obtained via solvent-free enzymatic catalysis. Pendant hydroxyl groups, coming from the sorbitol units, were present along the polyester backbone, whereas the two isohexides, namely, isomannide and isoidide dimethyl ester monomers, were selected to introduce rigidity into the polyester chains. The feasibility of incorporating isomannide as a diol compared to the isoidide dimethyl ester as acyl-donor via lipase-catalyzed polycondensation was investigated. The presence of bicyclic units resulted in enhanced T g with respect to the parent sorbitol-containing polyester lacking isohexides. The different capability of the two isohexides to boost the thermal properties confirmed the more flexible character provided by the isoidide diester derivative. Solvent-borne coatings were prepared by cross-linking the sugar-based polyester polyols with polyisocyanates. The increased rigidity of the obtained sugar-based polyester polyols led to an enhancement in hardness of the resulting coatings.

Antibacterial α-pyrone derivatives from a mangrove-derived fungus Stemphylium sp. 33231 from the South China Sea.

Science.gov (United States)

Zhou, Xue-Ming; Zheng, Cai-Juan; Song, Xiao-Ping; Han, Chang-Ri; Chen, Wen-Hao; Chen, Guang-Ying

2014-05-01

Two new α-pyrone derivatives, infectopyrones A (1) and B (2), were obtained from the EtOAc extract of the endophytic fungus Stemphylium sp. 33231 isolated from the mangrove Brguiera sexangula var. rhynchopetala collected in the South China Sea. Their structures were elucidated by the detailed analysis of comprehensive spectroscopic data. Compounds 1 and 2 were evaluated for their antibacterial activities, and they had a broad spectrum of antibacterial activity against five terrestrial pathogenic bacteria.

A spectroscopic transfer standard for accurate atmospheric CO measurements

Science.gov (United States)

Nwaboh, Javis A.; Li, Gang; Serdyukov, Anton; Werhahn, Olav; Ebert, Volker

2016-04-01

Atmospheric carbon monoxide (CO) is a precursor of essential climate variables and has an indirect effect for enhancing global warming. Accurate and reliable measurements of atmospheric CO concentration are becoming indispensable. WMO-GAW reports states a compatibility goal of ±2 ppb for atmospheric CO concentration measurements. Therefore, the EMRP-HIGHGAS (European metrology research program - high-impact greenhouse gases) project aims at developing spectroscopic transfer standards for CO concentration measurements to meet this goal. A spectroscopic transfer standard would provide results that are directly traceable to the SI, can be very useful for calibration of devices operating in the field, and could complement classical gas standards in the field where calibration gas mixtures in bottles often are not accurate, available or stable enough [1][2]. Here, we present our new direct tunable diode laser absorption spectroscopy (dTDLAS) sensor capable of performing absolute ("calibration free") CO concentration measurements, and being operated as a spectroscopic transfer standard. To achieve the compatibility goal stated by WMO for CO concentration measurements and ensure the traceability of the final concentration results, traceable spectral line data especially line intensities with appropriate uncertainties are needed. Therefore, we utilize our new high-resolution Fourier-transform infrared (FTIR) spectroscopy CO line data for the 2-0 band, with significantly reduced uncertainties, for the dTDLAS data evaluation. Further, we demonstrate the capability of our sensor for atmospheric CO measurements, discuss uncertainty calculation following the guide to the expression of uncertainty in measurement (GUM) principles and show that CO concentrations derived using the sensor, based on the TILSAM (traceable infrared laser spectroscopic amount fraction measurement) method, are in excellent agreement with gravimetric values. Acknowledgement Parts of this work have been

Syntheses of protoporphyrin-IX regioselectivity carbon-13 labelled at the alpha-vinyl carbons

International Nuclear Information System (INIS)

Smith, K.M.; Fujinari, E.M.

1986-01-01

A method for transformation of readily available beta-vinyl 99% carbon-13 enriched derivatives of protoporphyrin-IX dimethyl ester into the less accessible alpha-vinyl labelled isomers is described. The procedure involves thallium(III) promoted vinyl carbon rearrangement, and proceeds through 2,2-dimethoxyethyl, formylmethyl, 2-hydroxyethyl and 2-chloroethyl porphyrins; the rearranged vinyl groups are regenerated from 2-chloroethyl in the last step by treatment with base. No evidence of vinyl carbon scrambling in the sequence is observed, and spectroscopic data of the products are given. (author)

Spectroscopic analysis of optoelectronic semiconductors

CERN Document Server

Jimenez, Juan

2016-01-01

This book deals with standard spectroscopic techniques which can be used to analyze semiconductor samples or devices, in both, bulk, micrometer and submicrometer scale. The book aims helping experimental physicists and engineers to choose the right analytical spectroscopic technique in order to get specific information about their specific demands. For this purpose, the techniques including technical details such as apparatus and probed sample region are described. More important, also the expected outcome from experiments is provided. This involves also the link to theory, that is not subject of this book, and the link to current experimental results in the literature which are presented in a review-like style. Many special spectroscopic techniques are introduced and their relationship to the standard techniques is revealed. Thus the book works also as a type of guide or reference book for people researching in optical spectroscopy of semiconductors.

Synthesis, characterization and antimicrobial activity of mixed ...

African Journals Online (AJOL)

A new series of Mn(II), Fe(II), Co(II), Cu(II) and Zn(II) mixed ligands-metal complexes derived from salicylic acid (SA) and 1,10-phenanthroline (PHEN) have been synthesized and characterized by spectroscopic studies. The coordination of the two ligands towards central metal ions has been proposed in the light of ...

Syntheses, Crystal Structures and Bioactivities of Two Novel Isatin Derivatives

Institute of Scientific and Technical Information of China (English)

SHANG Jian-li; LI Hui-dong; SHANG Jun; SONG Hai-bin; LI Zheng-ming; WANG Jian-guo

2011-01-01

Two novel compoundsl-(4-fluorobenzyl)-4-chloro-(Z)-3-benzoylhydrazono-2-indolinone(1) and 1-(4-methoxybenzyl)-(Z)-3-benzoylhydrazono-2-indolinone(2) were synthesized and their crystal structures were determined by single-crystal X-ray diffraction.Compound 1(C22H15ClFN3O2) crystallized in the triclinic system,space group P1- with a=0.94198(19) nm,b=1.4339(3) nm,c=1.5018(3) nm,a=101.58(3)°,β=102.96(3)°,γ=102.73°,V=1.8602(6) nm3,Mr=407.82,Dc=1.456 g/cm3,μ=0.240 mm-1,F(000)=840,Z=4,R1=0.0442 and wR2=0.1064.Compound 2(C23H19N3O3) crystallized in the triclinic system,space group P1- with a=1.0022(2) nm,b=1.0192(2) nm,c=1.0461(2) nm,a=99.86(3)°,β=117.30(3)°,γ=94.13(3)°,V=0.9215(3) nm3,Mr=385.41,Dc=1.389 g/cm3,μ=0.094mm-1,F(000)=404,Z=2,R1=0.0403 and wR2=0.1142.The preliminary herbicidal activities of the two compounds were also evaluated.

Fluorescence properties of 6-aryl-2‧-deoxy-furanouridine and -pyrrolocytidine and their derivatives

Science.gov (United States)

Ro, Jong Jin; Go, Gui Han; Wilhelmsson, L. Marcus; Hyean Kim, Byeang

2018-01-01

2‧-deoxyfuranouridine derivatives presenting various aryl groups have been synthesized through Cu(I)-catalyzed intramolecular cyclizations. Moreover, corresponding pyrrolo-dC derivatives have been synthesized and both families of compounds thoroughly characterized using UV/vis and fluorescence spectroscopy as well as time-dependent density functional theory calculations. The photophysical characterization, show that our newly synthesized derivatives of the important pyrrolo-dC family have high fluorescence quantum yields (QYs) and brightness values. Pyrrolo-dC derivative, 3a, shows an environment sensitive QY of up to >60% and brightness of almost 3000, in low polarity solvents and excitation and emission maxima between 365-381 nm and 479-510 nm, respectively, in solvents of different polarities. Two other derivatives, 3b and 3c, show high QYs and brightness values of up to 3300 that are fairly insensitive to their microenvironment. These promising photophysical features suggest future applicability as fluorescent nucleobase analogs.

Brevianamides and Mycophenolic Acid Derivatives from the Deep-Sea-Derived Fungus Penicillium brevicompactum DFFSCS025

Directory of Open Access Journals (Sweden)

Xinya Xu

2017-02-01

Full Text Available Four new compounds (1–4, including two brevianamides and two mycochromenic acid derivatives along with six known compounds were isolated from the deep-sea-derived fungus Penicillium brevicompactum DFFSCS025. Their structures were elucidated by spectroscopic analysis. Moreover, the absolute configurations of 1 and 2 were determined by quantum chemical calculations of the electronic circular dichroism (ECD spectra. Compound 9 showed moderate cytotoxicity against human colon cancer HCT116 cell line with IC50 value of 15.6 μM. In addition, 3 and 5 had significant antifouling activity against Bugula neritina larval settlement with EC50 values of 13.7 and 22.6 μM, respectively. The NMR data of 6, 8, and 9 were assigned for the first time.

Syntheses and structures of technetium(V) and rhenium(V) oxo complexes of peptide having KYC-sequence

International Nuclear Information System (INIS)

Takayama, T.; Suzuki, K.; Sekine, T.; Kudo, H.

2000-01-01

Technetium(V) and rhenium(V) oxo complexes of a peptide having a KYC-sequence such as KYCAR (H 3 L 5 ) and KYCAREPPTRTNAYQGQG-NH 2 (H 3 L 18 ) were synthesized, and structures of the complexes were characterized by spectroscopic techniques. All of the complexes were synthesized by the ligand exchange reaction of [(n-C 4 H 9 ) 4 N][MOCl 4 ] (M = 99 Tc, Re) with peptide in methanol or dimethylformamide solution. These complexes have a square pyramidal structure with an oxo ligand at the apical position. The peptide is coordinated to a metal atom through N amine of lysine. S thiol of cysteine, and N amide of tyrosine and cysteine in the equatorial plane. A lysine (CH 2 ) 4 NH 2 group of the L 5 ligand has the syn conformation with respect to metal-oxo bonding in the complex. The syn isomer was selectively formed in the ligand exchange reaction. The conversion of the syn isomer to the anti isomer was observed only for syn-[ReO(L 5 )], in which the coordination of water to the trans position of the oxo ligand was involved. (orig.)

Highly Efficient Fumed Silica Nanoparticles for Peptide Bond Formation: Converting Alanine to Alanine Anhydride.

Science.gov (United States)

Guo, Chengchen; Jordan, Jacob S; Yarger, Jeffery L; Holland, Gregory P

2017-05-24

In this work, thermal condensation of alanine adsorbed on fumed silica nanoparticles is investigated using thermal analysis and multiple spectroscopic techniques, including infrared (IR), Raman, and nuclear magnetic resonance (NMR) spectroscopies. Thermal analysis shows that adsorbed alanine can undergo thermal condensation, forming peptide bonds within a short time period and at a lower temperature (∼170 °C) on fumed silica nanoparticle surfaces than that in bulk (∼210 °C). Spectroscopic results further show that alanine is converted to alanine anhydride with a yield of 98.8% during thermal condensation. After comparing peptide formation on solution-derived colloidal silica nanoparticles, it is found that fumed silica nanoparticles show much better efficiency and selectivity than solution-derived colloidal silica nanoparticles for synthesizing alanine anhydride. Furthermore, Raman spectroscopy provides evidence that the high efficiency for fumed silica nanoparticles is likely related to their unique surface features: the intrinsic high population of strained ring structures present at the surface. This work indicates the great potential of fumed silica nanoparticles in synthesizing peptides with high efficiency and selectivity.

Tris-diamine-derived transition metal complexes of flurbiprofen as ...

African Journals Online (AJOL)

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butyrylcholinesterase (BChE) inhibitory activities. Method: Tris-diamine-derived transition metal complexes of Co(II), Ni(II), and Mn(II) were synthesized and characterized ... Conductance measurements indicated that diamine-derived metal complexes of ..... contributes to enhanced biological activity, and provides novel ...

Hydrothermal syntheses and characterization of two layered molybdenum selenites, Rb2(MoO3)3SeO3 and Tl2(MoO3)3SeO3

International Nuclear Information System (INIS)

Dussack, L.L.; Harrison, W.T.A.; Jacobson, A.J.

1996-01-01

The hydrothermal syntheses of Rb 2 (MoO 3 ) 3 SeO 3 , and Tl 2 (MoO 3 ) 3 SeO 3 are described. These compounds have structures built up from hexagonal-WO 3 -type sheets and are isostructural with the previously reported Cs 2 (MoO 3 ) 3 SeO 3 and (NH 4 ) 2 (MoO 3 ) 3 SeO 3 . Powder X-ray, thermogravimetric, and spectroscopic data are presented and discussed

A new synthetic methodology for the preparation of biocompatible and organo-soluble barbituric- and thiobarbituric acid based chitosan derivatives for biomedical applications

Energy Technology Data Exchange (ETDEWEB)

Shahzad, Sohail [Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Department of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Shahzadi, Lubna [Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Mahmood, Nasir [Department of Allied Health Sciences and Chemical Pathology, Department of Human Genetics and Molecular Biology, University of Health Sciences, Lahore (Pakistan); Siddiqi, Saadat Anwar [Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Rauf, Abdul [Department of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Manzoor, Faisal; Chaudhry, Aqif Anwar [Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Rehman, Ihtesham ur [Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Department of Materials Science and Engineering, The Kroto Research Institute, The University of Sheffield, North Campus, Broad Lane, Sheffield, S3 7HQ (United Kingdom); Yar, Muhammad, E-mail: drmyar@ciitlahore.edu.pk [Interdisciplinary Research Center in Biomedical Materials, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan)

2016-09-01

Chitosan's poor solubility especially in organic solvents limits its use with other organo-soluble polymers; however such combinations are highly required to tailor their properties for specific biomedical applications. This paper describes the development of a new synthetic methodology for the synthesis of organo-soluble chitosan derivatives. These derivatives were synthesized from chitosan (CS), triethyl orthoformate and barbituric or thiobarbituric acid in the presence of 2-butannol. The chemical interactions and new functional motifs in the synthesized CS derivatives were evaluated by FTIR, DSC/TGA, UV/VIS, XRD and {sup 1}H NMR spectroscopy. A cytotoxicity investigation for these materials was performed by cell culture method using VERO cell line and all the synthesized derivatives were found to be non-toxic. The solubility analysis showed that these derivatives were readily soluble in organic solvents including DMSO and DMF. Their potential to use with organo-soluble commercially available polymers was exploited by electrospinning; the synthesized derivatives in combination with polycaprolactone delivered nanofibrous membranes. - Highlights: • Development of a new synthetic methodology • Synthesis of organo-soluble chitosan (CS) derivatives • VERO cells proliferation • Nanofibrous membranes from the synthesized chitosan derivatives and polycaprolactone.

Synthesis and anticancer evaluation of imidazolinone and benzoxazole derivatives

Directory of Open Access Journals (Sweden)

Heba A. El-Hady

2017-05-01

Full Text Available A series of imidazolinone and benzoxazole derivatives (3 and 5 have been synthesized by the condensation of oxazolinone derivatives (2a–c with aniline and 2-hydroxyaniline. Acetyl derivatives (4, 6 and 7 were prepared via acetylation of compounds 3 and 5 with acetic anhydride and chloroacetyl chloride. The results revealed that imidazolinone and benzoxazole derivatives are potent against the cancer cell lines MCF-7 and HePG2. In particular, benzoxazole derivatives are more potent than imidazolinone derivatives.

Cytotoxic Metabolites from the Soil-Derived Fungus Exophiala Pisciphila

Directory of Open Access Journals (Sweden)

Xiu-Kun Lin

2011-03-01

Full Text Available A new polyketide compound 1 and a new naturally occurring chromone derivative 2, along with two known indole alkaloids 3–4 were characterized from the ethyl acetate extract of a soil-derived fungal strain, Exophiala pisciphila PHF-9. The structures of compounds 1–4 were established by detailed spectroscopic analysis and comparison with literature data. The absolute configuration of 1 was determined by a modified Mosher’s method. Compound 1 exhibited moderate cytotoxicity against A-549, Hela, PANC-28 and BEL-7402 cell lines.

Permittivity and modulus spectroscopic study of BaFe0.5Nb0.5O3 ceramics

Directory of Open Access Journals (Sweden)

Subrat K. Kar

2013-12-01

Full Text Available Ba(Fe0.5Nb0.5O3 (BFN powder was synthesized in single perovskite phase by conventional solid state reaction route and BFN ceramic was obtained by uniaxial pressing and sintering at 1350 °C. Complex immittance like: permittivity and modulus spectroscopic formalism were simultaneously used to explain dielectric behaviour of the ceramics. The activation energy calculated from dielectric relaxation below 100 °C was found to be ~0.19 eV. The activation energy obtained from modulus spectra above 100 °C was ~0.59 eV. The space charge polarization model was used to explain the origin of relaxation and “giant” permittivity of BFN ceramics near room temperature.

Spectroscopic study of a DNA brush synthesized in situ by surface initiated enzymatic polymerization.

Science.gov (United States)

Khan, M Nuruzzaman; Tjong, Vinalia; Chilkoti, Ashutosh; Zharnikov, Michael

2013-08-29

We used a combination of synchrotron-based X-ray photoelectron spectroscopy (XPS) and angle-resolved near-edge X-ray absorption fine structure (NEXAFS) spectroscopy to study the chemical integrity, purity, and possible internal alignment of single-strand (ss) adenine deoxynucleotide (poly(A)) DNA brushes. The brushes were synthesized by surface-initiated enzymatic polymerization (SIEP) on a 25-mer of adenine self-assembled monolayer (SAM) on gold (A25-SH), wherein the terminal 3'-OH of the A25-SH serve as the initiation sites for SIEP of poly(A). XPS and NEXAFS spectra of poly(A) brushes were found to be almost identical to those of A25-SH initiator, with no unambiguous traces of contamination. Apart from the well-defined chemical integrity and contamination-free character, the brushes were found to have a high degree of orientational order, with an upright orientation of individual strands, despite their large thickness up to ~55 nm, that corresponds to a chain length of at least several hundred nucleotides for individual ssDNA molecules. The orientational order exhibited by these poly(A) DNA brushes, mediated presumably by base stacking, was found to be independent of the brush thickness as long as the packing density was high enough. The well-defined character and orientational ordering of the ssDNA brushes make them a potentially promising system for different applications.

Structure-Dependent Spectroscopic Properties of Yb3+-Doped Phosphosilicate Glasses Modified by SiO2

Directory of Open Access Journals (Sweden)

Ling Wang

2017-02-01

Full Text Available Yb3+-doped phosphate glasses containing different amounts of SiO2 were successfully synthesized by the conventional melt-quenching method. The influence mechanism of SiO2 on the structural and spectroscopic properties was investigated systematically using the micro-Raman technique. It was worth noting that the glass with 26.7 mol % SiO2 possessed the longest fluorescence lifetime (1.51 ms, the highest gain coefficient (1.10 ms·pm2, the maximum Stark splitting manifold of 2F7/2 level (781 cm−1, and the largest scalar crystal-field NJ and Yb3+ asymmetry degree. Micro-Raman spectra revealed that introducing SiO2 promoted the formation of P=O linkages, but broke the P=O linkages when the SiO2 content was greater than 26.7 mol %. Based on the previous 29Si MAS NMR experimental results, these findings further demonstrated that the formation of [SiO6] may significantly affect the formation of P=O linkages, and thus influences the spectroscopic properties of the glass. These results indicate that phosphosilicate glasses may have potential applications as a Yb3+-doped gain medium for solid-state lasers and optical fiber amplifiers.

Structure-Dependent Spectroscopic Properties of Yb3+-Doped Phosphosilicate Glasses Modified by SiO2

Science.gov (United States)

Wang, Ling; Zeng, Huidan; Yang, Bin; Ye, Feng; Chen, Jianding; Chen, Guorong; Smith, Andew T.; Sun, Luyi

2017-01-01

Yb3+-doped phosphate glasses containing different amounts of SiO2 were successfully synthesized by the conventional melt-quenching method. The influence mechanism of SiO2 on the structural and spectroscopic properties was investigated systematically using the micro-Raman technique. It was worth noting that the glass with 26.7 mol % SiO2 possessed the longest fluorescence lifetime (1.51 ms), the highest gain coefficient (1.10 ms·pm2), the maximum Stark splitting manifold of 2F7/2 level (781 cm−1), and the largest scalar crystal-field NJ and Yb3+ asymmetry degree. Micro-Raman spectra revealed that introducing SiO2 promoted the formation of P=O linkages, but broke the P=O linkages when the SiO2 content was greater than 26.7 mol %. Based on the previous 29Si MAS NMR experimental results, these findings further demonstrated that the formation of [SiO6] may significantly affect the formation of P=O linkages, and thus influences the spectroscopic properties of the glass. These results indicate that phosphosilicate glasses may have potential applications as a Yb3+-doped gain medium for solid-state lasers and optical fiber amplifiers. PMID:28772601

Molecular binding of toxic phenothiazinium derivatives, azures to bovine serum albumin: A comparative spectroscopic, calorimetric, and in silico study.

Science.gov (United States)

Das, Somnath; Islam, Md Maidul; Jana, Gopal Chandra; Patra, Anirudha; Jha, Pradeep K; Hossain, Maidul

2017-07-01

In this paper, the comparative binding behavior of antimalarial drug azure A, azure B and azure C with bovine serum albumin (BSA) has been studied. The interaction has been confirmed by multispectroscopic (UV, fluorescence, Fourier transform infrared (FT-IR), and circular dichroism) and molecular docking techniques. The experimental results show that azure B has the highest BSA binding affinity followed by azure A and azure C. The experimental evidence of binding showed a static quenching mechanism in the interaction azures with BSA. The isothermal titration calorimetry result reveals that the binding was exothermic with positive entropy contribution in each case. The thermodynamic parameters ΔH, ΔG, and ΔS at 25°C were calculated, which indicates that the weak van der Waals forces and hydrogen bonding rather than the hydrophobic effect played an important role in the interaction. According to the theory of Förster nonradiative energy transfer, the distance (r) between the donor (BSA) and acceptor azures found to be albumins. We hope, the outcome of this work will be most helpful for synthesizing a new type of phenothiazinium derivatives of the better therapeutic application. Copyright © 2017 John Wiley & Sons, Ltd.

Sol–gel derived solar selective coatings on SS 321 substrates for solar thermal applications

Energy Technology Data Exchange (ETDEWEB)

Subasri, R., E-mail: subasri@arci.res.in; Soma Raju, K.R.C.; Reddy, D.S.; Hebalkar, Neha Y.; Padmanabham, G.

2016-01-01

Sol–gel derived multilayered solar selective coatings were generated on AISI SS 321 substrates using Ag-TiO{sub 2} as the cermet layer, titania and silica as the dielectric layers with high and low refractive indices respectively. The phase compositions of the individual layers were independently confirmed using grazing angle incidence X-ray diffraction, which was corroborated by X-ray photoelectron spectroscopic analysis. Thickness of the layers was measured using variable angle spectroscopic ellipsometry. The solar absorbance was measured over the UV–Vis-NIR wavelength range. Thermal emissivity was determined using FTIR spectroscopic analysis. The durability of the coatings was ascertained using accelerated corrosion testing methods as well as by measuring the optical properties after thermal cycling experiments. The promising nature of hexavalent chrome-free, environmental friendly, multilayered solar selective coating was ascertained with respect to amenability to scale-up. - Highlights: • Sol–gel derived multilayered solar selective coatings developed on SS321 • Solar absorptance and thermal emittance at par with toxic chrome coating • Thermal stability and corrosion resistance of coatings studied • Coating performance found to be promising for large scale applications • Scale-up amenability investigated by coating generation on 1 m tubes.

Sol–gel derived solar selective coatings on SS 321 substrates for solar thermal applications

International Nuclear Information System (INIS)

Subasri, R.; Soma Raju, K.R.C.; Reddy, D.S.; Hebalkar, Neha Y.; Padmanabham, G.

2016-01-01

Sol–gel derived multilayered solar selective coatings were generated on AISI SS 321 substrates using Ag-TiO_2 as the cermet layer, titania and silica as the dielectric layers with high and low refractive indices respectively. The phase compositions of the individual layers were independently confirmed using grazing angle incidence X-ray diffraction, which was corroborated by X-ray photoelectron spectroscopic analysis. Thickness of the layers was measured using variable angle spectroscopic ellipsometry. The solar absorbance was measured over the UV–Vis-NIR wavelength range. Thermal emissivity was determined using FTIR spectroscopic analysis. The durability of the coatings was ascertained using accelerated corrosion testing methods as well as by measuring the optical properties after thermal cycling experiments. The promising nature of hexavalent chrome-free, environmental friendly, multilayered solar selective coating was ascertained with respect to amenability to scale-up. - Highlights: • Sol–gel derived multilayered solar selective coatings developed on SS321 • Solar absorptance and thermal emittance at par with toxic chrome coating • Thermal stability and corrosion resistance of coatings studied • Coating performance found to be promising for large scale applications • Scale-up amenability investigated by coating generation on 1 m tubes

Dual-window dual-bandwidth spectroscopic optical coherence tomography metric for qualitative scatterer size differentiation in tissues.

Science.gov (United States)

Tay, Benjamin Chia-Meng; Chow, Tzu-Hao; Ng, Beng-Koon; Loh, Thomas Kwok-Seng

2012-09-01

This study investigates the autocorrelation bandwidths of dual-window (DW) optical coherence tomography (OCT) k-space scattering profile of different-sized microspheres and their correlation to scatterer size. A dual-bandwidth spectroscopic metric defined as the ratio of the 10% to 90% autocorrelation bandwidths is found to change monotonically with microsphere size and gives the best contrast enhancement for scatterer size differentiation in the resulting spectroscopic image. A simulation model supports the experimental results and revealed a tradeoff between the smallest detectable scatterer size and the maximum scatterer size in the linear range of the dual-window dual-bandwidth (DWDB) metric, which depends on the choice of the light source optical bandwidth. Spectroscopic OCT (SOCT) images of microspheres and tonsil tissue samples based on the proposed DWDB metric showed clear differentiation between different-sized scatterers as compared to those derived from conventional short-time Fourier transform metrics. The DWDB metric significantly improves the contrast in SOCT imaging and can aid the visualization and identification of dissimilar scatterer size in a sample. Potential applications include the early detection of cell nuclear changes in tissue carcinogenesis, the monitoring of healing tendons, and cell proliferation in tissue scaffolds.

Synthesis and Anticancer Activity of New 1-Thia-4-azaspiro[4.5]decane, Their Derived Thiazolopyrimidine and 1,3,4-Thiadiazole Thioglycosides

Directory of Open Access Journals (Sweden)

Eman M. Flefel

2017-01-01

Full Text Available New 1-thia-azaspiro[4.5]decane derivatives, their derived thiazolopyrimidine and 1,3,4-thiadiazole compounds were synthesized. The thioglycoside derivatives of the synthesized (1,3,4-thiadiazolylthiaazaspiro[4.5]decane and thiazolopyrimidinethione compounds were synthesized by glycosylation reactions using acetylated glycosyl bromides. The anticancer activity of synthesized compounds was studied against the cell culture of HepG-2 (human liver hepatocellular carcinoma, PC-3 (human prostate adenocarcinoma and HCT116 (human colorectal carcinoma cell lines and a number of compounds showed moderate to high inhibition activities.

Studies on the effect of AgNP binding on α-amylase structure of porcine pancreas and Bacillus subtilis by multi-spectroscopic methods

International Nuclear Information System (INIS)

Ernest, Vinita; Sekar, Gajalakshmi; Mukherjee, Amitava; Chandrasekaran, N.

2014-01-01

Functionalizing silver nanoparticles (AgNPs) with biomolecules have a number of applications in catalysis, sensing, pharmaceutics and therapy. For the first time, herein we report the interaction of amylase-AgNPs through various spectroscopic techniques. AgNPs are synthesized and characterized by UV–vis spectroscopy, transmission electron microscopy (TEM) and Dynamic Light Scattering (DLS). The binding of AgNPs to α-amylase are investigated by UV–vis, fluorescence, circular dichroism and FTIR spectroscopic techniques. Absorption intensity and Stern–Volmer plots confirmed the formation of the ground state complex with AgNPs. The quenching of the intrinsic protein fluorescence in the presence of different concentrations of AgNP was observed. The apparent binding constant (K) and number of binding sites (n) was calculated from the Stern–Volmer plot was found to be 4.92×10 3 , 3.8×10 3 and 1.57, 1.3 for porcine pancreas and Bacillus subtilis α-amylase, respectively. Far-UV CD studies revealed the characteristic dichoric band at 222 nm for α-helical structure was shifted to 215 nm in porcine pancreatic α-amylase upon AgNP binding. Further, structural conformation change with peak shifts and the possible binding residues was confirmed through FTIR spectroscopy. -- Highlights: • AgNPs were synthesized using modified Creighton's method and characterized. • Structural changes analyzed by UV–vis, fluorescence spectroscopy. • CD and FTIR spectra reveal the secondary structure conformation change. • Potential application in food industry

Studies on the effect of AgNP binding on α-amylase structure of porcine pancreas and Bacillus subtilis by multi-spectroscopic methods

Energy Technology Data Exchange (ETDEWEB)

Ernest, Vinita; Sekar, Gajalakshmi; Mukherjee, Amitava; Chandrasekaran, N., E-mail: nchandrasekaran@vit.ac.in

2014-02-15

Functionalizing silver nanoparticles (AgNPs) with biomolecules have a number of applications in catalysis, sensing, pharmaceutics and therapy. For the first time, herein we report the interaction of amylase-AgNPs through various spectroscopic techniques. AgNPs are synthesized and characterized by UV–vis spectroscopy, transmission electron microscopy (TEM) and Dynamic Light Scattering (DLS). The binding of AgNPs to α-amylase are investigated by UV–vis, fluorescence, circular dichroism and FTIR spectroscopic techniques. Absorption intensity and Stern–Volmer plots confirmed the formation of the ground state complex with AgNPs. The quenching of the intrinsic protein fluorescence in the presence of different concentrations of AgNP was observed. The apparent binding constant (K) and number of binding sites (n) was calculated from the Stern–Volmer plot was found to be 4.92×10{sup 3}, 3.8×10{sup 3} and 1.57, 1.3 for porcine pancreas and Bacillus subtilis α-amylase, respectively. Far-UV CD studies revealed the characteristic dichoric band at 222 nm for α-helical structure was shifted to 215 nm in porcine pancreatic α-amylase upon AgNP binding. Further, structural conformation change with peak shifts and the possible binding residues was confirmed through FTIR spectroscopy. -- Highlights: • AgNPs were synthesized using modified Creighton's method and characterized. • Structural changes analyzed by UV–vis, fluorescence spectroscopy. • CD and FTIR spectra reveal the secondary structure conformation change. • Potential application in food industry.

Raman Spectroscopic Studies of Methane Gas Hydrates

DEFF Research Database (Denmark)

Hansen, Susanne Brunsgaard; Berg, Rolf W.

2009-01-01

A brief review of the Raman spectroscopic studies of methane gas hydrates is given, supported by some new measurements done in our laboratory.......A brief review of the Raman spectroscopic studies of methane gas hydrates is given, supported by some new measurements done in our laboratory....

Anti-cancer evaluation of quercetin embedded PLA nanoparticles synthesized by emulsified nanoprecipitation.

Science.gov (United States)

Pandey, Sanjeev K; Patel, Dinesh K; Thakur, Ravi; Mishra, Durga P; Maiti, Pralay; Haldar, Chandana

2015-04-01

This study was carried out to synthesize quercetin (Qt) embedded poly(lactic acid) (PLA) nanoparticles (PLA-Qt) and to evaluate anti-cancer efficacy of PLA-Qt by using human breast cancer cells. PLA-Qt were synthesized by using novel emulsified nanoprecipitation technique with varying dimension of 32 ± 8 to 152 ± 9 nm of PLA-Qt with 62 ± 3% (w/w) entrapment efficiency by varying the concentration of polymer, emulsifier, drug and preparation temperature. The dimension of PLA-Qt was measured through transmission electron microscopy indicating larger particle size at higher concentration of PLA. The release rate of Qt from PLA-Qt was found to be more sustained for larger particle dimension (152 ± 9 nm) as compared to smaller particle dimension (32 ± 8 nm). Interaction between Qt and PLA was verified through spectroscopic and calorimetric methods. Delayed diffusion and stronger interaction in PLA-Qt caused the sustained delivery of Qt from the polymer matrix. In vitro cytotoxicity study indicate the killing of ∼ 50% breast cancer cells in two days at 100 μg/ml of drug concentration while the ∼ 40% destruction of cells require 5 days for PLA-Qt (46 ± 6 nm; 20mg/ml of PLA). Thus our results propose anticancer efficacy of PLA-Qt nanoparticles in terms of its sustained release kinetics revealing novel vehicle for the treatment of cancer. Copyright © 2015 Elsevier B.V. All rights reserved.

Stereoselective chlorothiolation of artemisinin-derived C-10 oxa terminal alkynes.

Science.gov (United States)

Surineni, Naresh; Buragohain, Pori; Barua, Nabin C

2015-11-01

A mild and efficient strategy is explored on the highly sensitive artemisinin-derived C-10 oxa terminal alkynes. Several novel artemisinin-derived (E)-2-chloroalkenyl sulfides (20) have been synthesized by using this protocol to study their anticancer activities.

Synthesis of an estradiol glucuronide derivative and investigation of its radiopharmaceutical potential

International Nuclear Information System (INIS)

Biber, F.Z.; Unak, P.; Ertay, T.; Medine, E.I.; Zihnioglu, F.; Tasci, C.; Durak, H.

2006-01-01

The aim of the current study was to synthesize a derivative of estradiol glucuronide, which is able to be labeled with 99m Tc and to investigate its radiopharmaceutical potential using imaging and biodistribution studies. An estrogen derivative, β-estradiol (1,3,5,[10]-estratriene-3,17β-diol) attached to diethylenetriamine pentaacetic acid (DTPA) was synthesized in six steps. At the end of these steps a compound of estradiol and DTPA derivative called deoxy demethyl homoestradiolyl diethylenetriamine pentaacetic acid (ESTDTPA) was synthesized. Afterwards, this compound was reacted with UDP-glucuronyl transferase (UDPGT). Following the glucuronidation reaction, the product called deoxy demethyl homoestradiolyl diethylenetriamine pentaaceticacid-glucuronide (ESTDTPAG) was obtained. Synthesized products were purified using high performance liquid chromatography (HPLC). The identification of the purified products and impurities were also established using HPLC. Synthesized compound was labeled with 99m Tc. Thin layer radio chromatography (TLRC) technique was used to determine their radiochemical yields and stabilities. Labeling yield was over 96%. The biodistribution studies were performed on female Albino Wistar rats. The activity per gram tissue was calculated and time-activity curves were plotted. The target organs (tumor, as well as uterus, ovaries, adrenals and other ER containing tissues) retain the estradiol derivative longer than nontarget organs, but even these lost most of their activity within a few hours. In addition, the imaging studies were performed on normal and tumor bearing female Albino Wistar rats using Camstar XR/T gamma camera. In γ-scintigraphic imaging studies with 99m Tc-ESTDTPAG the breast tumors could be well visualized up to 24 h

Massive Young Stellar Objects in the Galactic Center. 1; Spectroscopic Identification from Spitzer/IRS Observations

Science.gov (United States)

An, Deokkeun; Ramirez, Solange V.; Sellgren, Kris; Arendt, Richard G.; Boogert, A. C. Adwin; Robitaille, Thomas P.; Schultheis, Mathias; Cotera, Angela S.; Smith, Howard A.; Stolovy, Susan R.

2011-01-01

We present results from our spectroscopic study, using the Infrared Spectrograph (IRS) onboard the Spitzer Space Telescope, designed to identify massive young stellar objects (YSOs) in the Galactic Center (GC). Our sample of 107 YSO candidates was selected based on IRAC colors from the high spatial resolution, high sensitivity Spitzer/IRAC images in the Central Molecular Zone (CMZ), which spans the central approximately 300 pc region of the Milky Way Galaxy. We obtained IRS spectra over 5 micron to 35 micron using both high- and low-resolution IRS modules. We spectroscopically identify massive YSOs by the presence of a 15.4 micron shoulder on the absorption profile of 15 micron CO2 ice, suggestive of CO2 ice mixed with CH30H ice on grains. This 15.4 micron shoulder is clearly observed in 16 sources and possibly observed in an additional 19 sources. We show that 9 massive YSOs also reveal molecular gas-phase absorption from C02, C2H2, and/or HCN, which traces warm and dense gas in YSOs. Our results provide the first spectroscopic census of the massive YSO population in the GC. We fit YSO models to the observed spectral energy distributions and find YSO masses of 8 - 23 solar Mass, which generally agree with the masses derived from observed radio continuum emission. We find that about 50% of photometrically identified YSOs are confirmed with our spectroscopic study. This implies a preliminary star formation rate of approximately 0.07 solar mass/yr at the GC.

Miswak mediated green synthesized palladium nanoparticles as effective catalysts for the Suzuki coupling reactions in aqueous media

Directory of Open Access Journals (Sweden)

Mujeeb Khan

2017-05-01

Full Text Available Green and eco-friendly synthesis of palladium nanoparticles NPs is carried out under facile and eco-friendly conditions using an aqueous solution of Salvadora persica L. (SP root extract (RE as a bioreductant, which is commonly known as Miswak. The as-synthesized Pd NPs were characterized using various spectroscopic and microscopic techniques, including, UV–Vis spectroscopy, FT-IR spectroscopy, XRD, ICP-MS and TEM. Detailed investigations of the Pd NPs have confirmed that the polyphenolic phytomolecules present in the RE of Miswak not only act as a bioreductant by facilitating the reduction and growth of Pd NPs, but they also functionalize the surface of Pd NPs and stabilized them in various solvents. Furthermore, the catalytic activity of the green synthesized Pd NPs was also tested toward the Suzuki coupling reactions of various aryl halides in aqueous media. The as-prepared Pd NPs exhibited superior catalytic activity and reusability for the Suzuki coupling reaction in aqueous and aerobic conditions. The kinetics of the reaction studied by GC revealed that the conversion of various aryl halides to biphenyl takes place in a short time.

Multi-pass spectroscopic ellipsometry

International Nuclear Information System (INIS)

Stehle, Jean-Louis; Samartzis, Peter C.; Stamataki, Katerina; Piel, Jean-Philippe; Katsoprinakis, George E.; Papadakis, Vassilis; Schimowski, Xavier; Rakitzis, T. Peter; Loppinet, Benoit

2014-01-01

Spectroscopic ellipsometry is an established technique, particularly useful for thickness measurements of thin films. It measures polarization rotation after a single reflection of a beam of light on the measured substrate at a given incidence angle. In this paper, we report the development of multi-pass spectroscopic ellipsometry where the light beam reflects multiple times on the sample. We have investigated both theoretically and experimentally the effect of sample reflectivity, number of reflections (passes), angles of incidence and detector dynamic range on ellipsometric observables tanΨ and cosΔ. The multiple pass approach provides increased sensitivity to small changes in Ψ and Δ, opening the way for single measurement determination of optical thickness T, refractive index n and absorption coefficient k of thin films, a significant improvement over the existing techniques. Based on our results, we discuss the strengths, the weaknesses and possible applications of this technique. - Highlights: • We present multi-pass spectroscopic ellipsometry (MPSE), a multi-pass approach to ellipsometry. • Different detectors, samples, angles of incidence and number of passes were tested. • N passes improve polarization ratio sensitivity to the power of N. • N reflections improve phase shift sensitivity by a factor of N. • MPSE can significantly improve thickness measurements in thin films

Two new isobenzofuranone derivatives from the fruiting bodies of Hericium erinaceus.

Science.gov (United States)

Li, Jing; Wang, Xu-Li; Li, Guang; Xu, Ping-Sheng; Xu, Kang-Ping; Tan, Gui-Shan

2017-11-01

Two new isobenzofuranone derivatives erinaceolactones G and H (1 and 2) were isolated from the ethanolic extract of fruiting bodies of Hericium erinaceus. Their structures were characterized on the basis of spectroscopic evidences. Compound 2 was suggested to be racemic by specific rotation, which was resolved by chiral HPLC into enantiomers.

Novel bisstyryl derivatives of bakuchiol

DEFF Research Database (Denmark)

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

2010-01-01

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

Anthelmintic efficacy of gold nanoparticles derived from a phytopathogenic fungus, Nigrospora oryzae.

Directory of Open Access Journals (Sweden)

Pradip Kumar Kar

Full Text Available Exploring a green chemistry approach, this study brings to the fore, the anthelmintic efficacy of gold nanoparticles, highlighting the plausible usage of myconanotechnology. Gold nanoparticles of ∼6 to ∼18 nm diameter were synthesized by treating the mycelia-free culture filtrate of the phytopathogenic fungus with gold chloride. Their size and morphology were confirmed by UV-Vis spectroscopy, DLS data, AFM and TEM images. The XRD studies reveal a crystalline nature of the nanoparticles, which are in cubic phase. The FTIR spectroscopic studies before and after the formation of nanoparticles show the presence of possible functional groups responsible for the bio-reduction and capping of the synthesized gold nanoparticles. The latter were tested as vermifugal agents against a model cestode Raillietina sp., an intestinal parasite of domestic fowl. Further, ultrastructural and biochemical parameters were used to corroborate the efficacy study.

Carbamoyl methylphosphine oxide derivatives of adamantane as americium and europium extractants

International Nuclear Information System (INIS)

Babain, V.A.; Alyapyshev, M.Yu.; Novakov, I.A.; Orlinson, B.S.; Savel'ev, E.N.; Shokova, Eh.A.; Serebrayannikova, A.E.; Kovalev, V.V.

2007-01-01

Adamantane di-1,3-carbamoyl methylphosphine oxide (CMPO) derivatives, where CMPO-groups connect with 1,3-positions of rigid adamantane platform by methylene and ethylene bridges, are synthesized, and their efficiency as extractants of americium(III) and europium(III) from nitric acid solutions is demonstrated. Distribution function of Am 3+ and Eu + during extraction from 3M HNO 3 are measured in the investigation of extraction properties. It is noted that first synthesized adamantane CMPO derivatives are more effective for the extraction of americium(III) and europium(III) from 3MHNO 3 [ru

Synthesis and Evaluation of New Phthalazine Urea and Thiourea Derivatives as Carbonic Anhydrase Inhibitors

Directory of Open Access Journals (Sweden)

Nurcan Berber

2013-01-01

Full Text Available A new series of phthalazine substituted urea and thiourea derivatives were synthesized, and their inhibitory effects on the activity of purified human carbonic anhydrases (hCAs I and II were evaluated. 2H-Indazolo[2,1-b]phthalazine-trione derivative (1 was prepared with 4-nitrobenzaldehyde, dimedone, and phthalhydrazide in the presence of TFA in DMF, and nitro group was reduced to amine derivative (2 with SnCl2·2H2O. The compound was reacted with isocyanates and isothiocyanates to get the final products (3a–p. The results showed that all the synthesized compounds inhibited the CA isoenzymes activity. 3a (IC50 = 6.40 µM for hCA I and 6.13 µM for hCA II has the most inhibitory effect. The synthesized compounds are very bulky to be able to bind near the zinc ion, and they much more probably bind as the coumarin derivatives.

II Peg: Spectroscopic Evidence for Multiple Starspot Temperatures

Science.gov (United States)

O'Neal, Douglas; Saar, Steven H.; Neff, James E. Neff

We present spectroscopic evidence for multiple spot temperatures on the RS CVn star II Pegasi (HD 224085). We fit the strengths of the 7055 AAg and 8860 AAg TiO absorption bands in the spectrum of an active star using weighted sums of comparison spectra: the spectrum of an inactive K star to represent the non-spotted photosphere and the spectrum of an M star to represent the spots. We can thus independently measure starspot filling factor (fspot) and temperature (tspot). During 3/4 of a rotation of II Peg in Sept.-Oct. 1996, we measure fspot approximately constant at 55+/-5%. However, tspot varies from 3350 K to 3500 K. Since our method yields one derived tspot integrated over the visible hemisphere of the star, we present the results of simple models of a star with two distinct spot temperatures and compute the tspot we would derive in those cases. The changing tspot correlates with emission strengths of Hα and the Ca 2 infrared triplet, in the sense that cooler \\tspot accompanies weaker emission. We explore the consequences of these results for the physical properties of the spots on II Peg and for stellar surface structure in general.

Synthesis and spectroscopic characterization of Y-shaped fluorophores with an imidazole core containing crown ether moieties

Energy Technology Data Exchange (ETDEWEB)

Doğru, Ümit; Öztürk Ürüt, Gülsiye, E-mail: gulsiye.ozturk@deu.edu.tr; Bayramin, Dilek

2015-07-15

In this study three new Y-shaped fluorophores, 4,5-(2,2'-diphenyl)vinyl-{2-[(1,4,7,10-tetraoxa-13-azacyclopentadecyl) phenyl]}-1H-imidazole (1a), 4,5-{[2,2'-bis(4-methoxyphenyl)vinyl]-[2-(1,4,7,10-tetraoxa-13- azacyclopentadecyl)-phenyl]}-1H-imidazole (1b) and 4,5-(2,2'-diphenyl)vinyl-{2-(1,4,7,10,13-benzopentaoxacyclopentadecyl)} -1H-imidazole (1c) were synthesized. 1,6-Diphenylhexa-1,5-diene-3,4-dione (2a) and 1,6-bis(4-methoxyphenyl)hexa-1,5-diene-3,4-dione (2b) were synthesized as preliminary fluorophores and then reacted with 4-formylbenzo-aza-15-crown-5 (3a) and 4-formylbenzo-15-crown-5 (3b) to obtain the three Y-shaped fluorophores 1a, 1b and 1c. 4-formylbenzo-aza-15-crown-5 and 4-formylbenzo-15-crown-5 intermediates were synthesized with Vilsmeier–Haack reaction. The photophysical properties such as maximum absorption wavelengths, maximum emission wavelengths, Stokes' shifts, singlet energies, fluorescence quantum yields and photostabilities of the compounds were investigated by measuring absorption and emission spectra in a series of solvents of varying polarities of toluene (TOL), dichloromethane (DCM), tetrahydrofuran (THF), ethyl acetate (EA), acetonitrile (ACN), and N,N-dimethylformamide (DMF). The three compounds 1a, 1b and 1c exhibited emission maxima in the 412–677 nm range. All the derivatives synthesized exhibited excellent photostability in all the solvents tested. - Highlights: • Three new Y-shaped fluorophores were synthesized for the first time. • Their absorption and emission properties were investigated. • All the derivatives synthesized exhibited excellent photostability.

Synthesis and spectroscopic characterization of Y-shaped fluorophores with an imidazole core containing crown ether moieties

International Nuclear Information System (INIS)

Doğru, Ümit; Öztürk Ürüt, Gülsiye; Bayramin, Dilek

2015-01-01

In this study three new Y-shaped fluorophores, 4,5-(2,2'-diphenyl)vinyl-{2-[(1,4,7,10-tetraoxa-13-azacyclopentadecyl) phenyl]}-1H-imidazole (1a), 4,5-{[2,2'-bis(4-methoxyphenyl)vinyl]-[2-(1,4,7,10-tetraoxa-13- azacyclopentadecyl)-phenyl]}-1H-imidazole (1b) and 4,5-(2,2'-diphenyl)vinyl-{2-(1,4,7,10,13-benzopentaoxacyclopentadecyl)} -1H-imidazole (1c) were synthesized. 1,6-Diphenylhexa-1,5-diene-3,4-dione (2a) and 1,6-bis(4-methoxyphenyl)hexa-1,5-diene-3,4-dione (2b) were synthesized as preliminary fluorophores and then reacted with 4-formylbenzo-aza-15-crown-5 (3a) and 4-formylbenzo-15-crown-5 (3b) to obtain the three Y-shaped fluorophores 1a, 1b and 1c. 4-formylbenzo-aza-15-crown-5 and 4-formylbenzo-15-crown-5 intermediates were synthesized with Vilsmeier–Haack reaction. The photophysical properties such as maximum absorption wavelengths, maximum emission wavelengths, Stokes' shifts, singlet energies, fluorescence quantum yields and photostabilities of the compounds were investigated by measuring absorption and emission spectra in a series of solvents of varying polarities of toluene (TOL), dichloromethane (DCM), tetrahydrofuran (THF), ethyl acetate (EA), acetonitrile (ACN), and N,N-dimethylformamide (DMF). The three compounds 1a, 1b and 1c exhibited emission maxima in the 412–677 nm range. All the derivatives synthesized exhibited excellent photostability in all the solvents tested. - Highlights: • Three new Y-shaped fluorophores were synthesized for the first time. • Their absorption and emission properties were investigated. • All the derivatives synthesized exhibited excellent photostability

Design, Synthesis and Insecticidal Activity of Novel Phenylurea Derivatives

Directory of Open Access Journals (Sweden)

Jialong Sun

2015-03-01

Full Text Available A series of novel phenylurea derivatives were designed and synthesized according to the method of active groups linkage and the principle of aromatic groups bioisosterism in this study. The structures of the novel phenylurea derivatives were confirmed based on ESI-MS, IR and 1H-NMR spectral data. All of the compounds were evaluated for the insecticidal activity against the third instars larvae of Spodoptera exigua Hiibner, Plutella xyllostella Linnaeus, Helicoverpa armigera Hubner and Pieris rapae Linne respectively, at the concentration of 10 mg/L. The results showed that all of the derivatives displayed strong insecticidal activity. Most of the compounds presented higher insecticidal activity against S. exigua than the reference compounds tebufenozide, chlorbenzuron and metaflumizone. Among the synthesized compounds, 3b, 3d, 3f, 4b and 4g displayed broad spectrum insecticidal activity.

Relationship Between Structure and Antiproliferative Activity of Novel 5-amino-4-cyanopyrazole-1-formaldehydehydrazono Derivatives on HL-60RG Human Leukemia Cells.

Science.gov (United States)

Nagahara, Yukitoshi; Nagahara, Katsuhiko

2017-11-01

Pyrazole derivatives have been reported to have potent antimicrobial and anticancer activity. We recently synthesized and determined the effects of analogs, benzamidoxime derivatives, on mammalian cells and discovered that benzamidoximes had an antiproliferative effect. Here we synthesized and determined the anticancer effects of hydrazonopyrazole derivatives on a mammalian cancer cell line. We synthesized 12 hydrazonopyrazole derivatives with several constant alkyl chain length or branched chains at the side chain to investigate their anticancer cell activity, using the human myelogenous leukemia cell line HL-60RG. Among all hydrazonopyrazole derivatives we synthesized, the hydrazonopyrazole derivative with a branched chain at the side chain rather than a constant alkyl chain significantly inhibited cell viability. The strongest hydrazonopyrazole derivative, 5-amino-4-cyanopyrazole-1-formaldehydehydrazono-3'-pentanal, tended to damage cells dose-dependently. This cell growth attenuation was a result of apoptosis, activating caspase-3 and fragmented DNA. Hydrazonopyrazole derivatives induced apoptosis of HL-60RG leukemia cells. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

Spectroscopical analysis and molecular mechanics calculation of 8,9-Seco-lanostane; Analise espectroscopica e calculos de mecanica molecular de 8,9-seco-lanostanos

Energy Technology Data Exchange (ETDEWEB)

Rehder, Vera G; Fujiwara, Fred Y; Marsaioli, Anita J [Universidade Estadual de Campinas, SP (Brazil). Inst. de Quimica

1992-12-31

8.9-Seco-lanostane derivatives have been synthesized visualizing their application as intermediates in chiral building block syntheses and we are here presenting their spectroscopy analyses and MM2 molecular mechanic calculations. (author) 5 refs., 4 figs.

Optimizing hydroxyl airglow retrievals from long-slit astronomical spectroscopic observations

Directory of Open Access Journals (Sweden)

C. Franzen

2017-08-01

Full Text Available Astronomical spectroscopic observations from ground-based telescopes contain background emission lines from the terrestrial atmosphere's airglow. In the near infrared, this background is composed mainly of emission from Meinel bands of hydroxyl (OH, which is produced in highly excited vibrational states by reduction of ozone near 90 km. This emission contains a wealth of information on the chemical and dynamical state of the Earth's atmosphere. However, observation strategies and data reduction processes are usually optimized to minimize the influence of these features on the astronomical spectrum. Here we discuss a measurement technique to optimize the extraction of the OH airglow signal itself from routine J-, H-, and K-band long-slit astronomical spectroscopic observations. As an example, we use data recorded from a point-source observation by the Nordic Optical Telescope's intermediate-resolution spectrograph, which has a spatial resolution of approximately 100 m at the airglow layer. Emission spectra from the OH vibrational manifold from v′  =  9 down to v′  =  3, with signal-to-noise ratios up to 280, have been extracted from 10.8 s integrations. Rotational temperatures representative of the background atmospheric temperature near 90 km, the mesosphere and lower thermosphere region, can be fitted to the OH rotational lines with an accuracy of around 0.7 K. Using this measurement and analysis technique, we derive a rotational temperature distribution with v′ that agrees with atmospheric model conditions and the preponderance of previous work. We discuss the derived rotational temperatures from the different vibrational bands and highlight the potential for both the archived and future observations, which are at unprecedented spatial and temporal resolutions, to contribute toward the resolution of long-standing problems in atmospheric physics.

Triazolyl tryptoline derivatives as β-secretase inhibitors

OpenAIRE

Jiaranaikulwanitch, Jutamas; Boonyarat, Chantana; Fokin, Valery V.; Vajragupta, Opa

2010-01-01

Tryptoline, a core structure of ochrolifuanine E, which is a hit compound from virtual screening of the Thai herbal database against BACE1 was used as a scaffold for the design of BACE1 inhibitors. The tryptoline was linked with different side chains by 1,2,3-triazole ring readily synthesized by catalytic azide-alkyne cycloaddition reactions. Twenty two triazolyl tryptoline derivatives were synthesized and screened for the inhibitory action against BACE1. JJCA-140 was the most potent inhibito...

Nitro derivatives and other constituents of Aristolochia melastoma

Energy Technology Data Exchange (ETDEWEB)

Nogueira, Claudio R.; Lopes, Lucia M.X., E-mail: lopesxl@iq.unesp.br [Instituto de Quimica, Universidade Estadual Paulista, Araraquara - SP (Brazil)

2012-07-01

A phytochemical study of Aristolochia melastoma Manso has led to the isolation and identification of 20 known compounds, including aristolochic acids, sodium aristolochates, lignan, flavonoids, and nitro phenylethyl derivatives. Their structures were established by spectroscopic analysis. The presence of thalictricoside and secoisolariciresinol dimethyl ether diacetate is reported for the first time in the Aristolochiaceae family. In addition, the presence of nitro compounds in this species is significant. (author)

Nitro derivatives and other constituents of Aristolochia melastoma

International Nuclear Information System (INIS)

Nogueira, Claudio R.; Lopes, Lucia M.X.

2012-01-01

A phytochemical study of Aristolochia melastoma Manso has led to the isolation and identification of 20 known compounds, including aristolochic acids, sodium aristolochates, lignan, flavonoids, and nitro phenylethyl derivatives. Their structures were established by spectroscopic analysis. The presence of thalictricoside and secoisolariciresinol dimethyl ether diacetate is reported for the first time in the Aristolochiaceae family. In addition, the presence of nitro compounds in this species is significant. (author)

Spectroscopic and Electrochemical Properties of Lithium-Rich LiFePO4 Cathode Synthesized by Solid-State Reaction

Science.gov (United States)

Rosaiah, P.; Hussain, O. M.; Zhu, Jinghui; Qiu, Yejun

2017-08-01

Lithium iron phosphate (Li x FePO4) is synthesized by a solid-state reaction method. The structural, electrical and electrochemical properties are studied in detail. It is found that the increment of lithium concentration (up to x = 1.05) does not affect the structure of LiFePO4 but improves its electrical conductivity as well as electrochemical performance. Surface morphological studies exhibited the formation of rod-like nanoparticles with small size. Electric and dielectric properties are also investigated over a frequency range of 1 Hz-1 MHz at different temperatures. The conductivity increased with increasing temperature, which follows the Arrhenius relation with the activation energy of about 0.31 eV. And the electrochemical tests found that the Li1.05FePO4 cathode possessed improved discharge capacity with better cycling performance.

Synthesis of ruthenium (III) complexes with benzimidazole derivatives

International Nuclear Information System (INIS)

Vyas, P.C.; Chahar, Yogesh K.; Garg, Yajula; Seth, Gita

2003-01-01

Complexes of ruthenium with biologically important benzimidazole derivatives, viz. 2-(2'-hydroxyphenyl) benzimidazole (HOPBI), 2-2'- mercaptophenyl) benzimidazole (HSPBI), 2- (2'-hydroxynaphthyl) benzimidazole (HONBI) have been synthesized and characterized. (author)

Anode behaviors of aluminum antimony synthesized by mechanical alloying for lithium secondary battery

International Nuclear Information System (INIS)

Honda, H.; Sakaguchi, H.; Fukuda, Y.; Esaka, T.

2003-01-01

AlSb was synthesized as an anode active material for lithium secondary battery using mechanical alloying (MA). Electrochemical performance was examined on the electrodes of AlSb synthesized with different MA time. The first charge (lithium-insertion) capacity of the AlSb electrodes decreased with increasing the MA time. The discharge capacity on repeating charge-discharge cycle, however, did not show the same dependence. The electrode, consisting of the 20 h MA sample exhibited the longest charge-discharge life cycle, suggesting that there is the optimum degree of internal energy derived from the strain and/or the amorphization due to mechanical alloying. These results were evaluated using ex situ X-ray diffraction and differential scanning calorimetry

Synthesis of an estradiol glucuronide derivative and investigation of its radiopharmaceutical potential

Energy Technology Data Exchange (ETDEWEB)

Biber, F.Z. [Department of Nuclear Applications, Institute of Nuclear Sciences, Ege University, 35100 Bornova Izmir (Turkey)]. E-mail: fazilet.zumrut.biber@ege.edu.tr; Unak, P. [Department of Nuclear Applications, Institute of Nuclear Sciences, Ege University, 35100 Bornova Izmir (Turkey); Ertay, T. [Department of Nuclear Medicine, Faculty of Medicine, Dokuz Eylul University, Inciralti Izmir (Turkey); Medine, E.I. [Department of Nuclear Applications, Institute of Nuclear Sciences, Ege University, 35100 Bornova Izmir (Turkey); Zihnioglu, F. [Department of Biochemistry, Faculty of Sciences, Ege University, 35100 Bornova Izmir (Turkey); Tasci, C. [Department of Biochemistry, Faculty of Sciences, Ege University, 35100 Bornova Izmir (Turkey); Durak, H. [Department of Biochemistry, Faculty of Sciences, Ege University, 35100 Bornova Izmir (Turkey)

2006-07-15

The aim of the current study was to synthesize a derivative of estradiol glucuronide, which is able to be labeled with {sup 99m}Tc and to investigate its radiopharmaceutical potential using imaging and biodistribution studies. An estrogen derivative, {beta}-estradiol (1,3,5,[10]-estratriene-3,17{beta}-diol) attached to diethylenetriamine pentaacetic acid (DTPA) was synthesized in six steps. At the end of these steps a compound of estradiol and DTPA derivative called deoxy demethyl homoestradiolyl diethylenetriamine pentaacetic acid (ESTDTPA) was synthesized. Afterwards, this compound was reacted with UDP-glucuronyl transferase (UDPGT). Following the glucuronidation reaction, the product called deoxy demethyl homoestradiolyl diethylenetriamine pentaaceticacid-glucuronide (ESTDTPAG) was obtained. Synthesized products were purified using high performance liquid chromatography (HPLC). The identification of the purified products and impurities were also established using HPLC. Synthesized compound was labeled with {sup 99m}Tc. Thin layer radio chromatography (TLRC) technique was used to determine their radiochemical yields and stabilities. Labeling yield was over 96%. The biodistribution studies were performed on female Albino Wistar rats. The activity per gram tissue was calculated and time-activity curves were plotted. The target organs (tumor, as well as uterus, ovaries, adrenals and other ER containing tissues) retain the estradiol derivative longer than nontarget organs, but even these lost most of their activity within a few hours. In addition, the imaging studies were performed on normal and tumor bearing female Albino Wistar rats using Camstar XR/T gamma camera. In {gamma}-scintigraphic imaging studies with {sup 99m}Tc-ESTDTPAG the breast tumors could be well visualized up to 24 h.

Electrochemical studies of adsorption and inhibition effect of new synthesized triazinane-amide derivatives on cold rolled steel in 0.5 M HCl

International Nuclear Information System (INIS)

Abo-Elenien, O.M.; Zohdy, K.M.; Abdelkreem, M.

2012-01-01

The adsorption and inhibition effects of new synthesized triazinane-amide derivatives (TAZA) on cold rolled steel (CRS) in 0.5 M HCl at concentration 100-500 ppm and 25.65 .C were studied by mean of weight loss and potentiodynamic polarization techniques. The results showed that the TAZA was a good inhibitor in 0.5 M HCl. The inhibition efficiency (IE) increased with the increase of inhibitor T AZA c oncentration. The adsorption of TAZA on the CRS surfaces followed the Langmuir adsorption isotherm. The thermodynamic and kinetic parameters show evidence of the stability control of the film formation on the CRS surfaces. The polarization curves revealed that the TAZA can act as cathodic and anodic protectors in the same time. Such protection phenomena were evidenced by the means of the weight loss and polarization methods. Significantly, the high efficient process of the film formation in terms of the corrosion rate, efficiency control was found with 300 ppm dose of TAZA, as evidenced from the electrochemical impedance and scanning electron microscope techniques

Complex formation between uranyl and various thiosemicarbazide derivatives

International Nuclear Information System (INIS)

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

1987-01-01

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

Novel hydroquinone derivatives alleviate algesia, inflammation and ...

African Journals Online (AJOL)

derivatives were synthesized and their structures were confirmed by .... to water. The baseline rectal temperature of all mice was noted by inserting a lubricated digital thermometer ... (PDB) and the binding site residues of the receptors were ...

Ellipsometric studies of synthetic albumin-binding chitosan-derivatives and selected blood plasma proteins

Science.gov (United States)

Sarkar, Sabyasachi

This dissertation summarizes work on the synthesis of chitosan-derivatives and the development of ellipsometric methods to characterize materials of biological origin. Albumin-binding chitosan-derivatives were synthesized via addition reactions that involve amine groups naturally present in chitosan. These surfaces were shown to have an affinity towards human serum albumin via ELISA, UV spectroscopy and SDS PAGE. Modified surfaces were characterized with IR ellipsometry at various stages of their synthesis using appropriate optical models. It was found that spin cast chitosan films were anisotropic in nature. All optical models used for characterizing chitosan-derivatives were thus anisotropic. Chemical signal dependence on molecular structure and composition was illustrated via IR spectroscopic ellipsometry (IRSE). An anisotropic optical model of an ensemble of Lorentz oscillators were used to approximate material behavior. The presence of acetic acid in spin-cast non-neutralized chitosan samples was thus shown. IRSE application to biomaterials was also demonstrated by performing a step-wise chemical characterizations during synthesis stages. Protein adsorbed from single protein solutions on these modified surfaces was monitored by visible in-situ variable wavelength ellipsometry. Based on adsorption profiles obtained from single protein adsorption onto silicon surfaces, lumped parameter kinetic models were developed. These models were used to fit experimental data of immunoglobulin-G of different concentrations and approximate conformational changes in fibrinogen adsorption. Biomaterial characterization by ellipsometry was further extended to include characterization of individual protein solutions in the IR range. Proteins in an aqueous environment were characterized by attenuated total internal reflection (ATR) IR ellipsometry using a ZnSe prism. Parameterized dielectric functions were created for individual proteins using Lorentz oscillators. These

N-2,4-Dichlorobenzoyl phosphoric triamides: Synthesis ...

Indian Academy of Sciences (India)

Administrator

J (PNCH) for enantiotopic and diastereotopic benzylic. CH2 protons in compounds 7 and 8. The spectroscopic data of newly synthesized compounds were com- pared with those related N-benzoyl derivatives. The structures of compounds 5, 8 and 10 (2,4-Cl2-. C6H3C(O)NHP(O)[NCH2CH(CH3)2]2) have been determined ...

CHEMISRTY OF NOVEL SPIRO OXAZOLO-THIADIAZOLES DERIVATIVES – SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION CHEMISRTY NEUARTIGER SPIRO oxazolo-Thiadiazole DERIVATE - Synthese, Charakterisierung und biologische Bewertung

OpenAIRE

Vijay V. Dabholkar, Abhishek Karekar, Prem Naik & N. B. Shinde

2012-01-01

A series of novel 2-N-acetyl hydrazino,4-acetyl,7-phenyl,9-(substitutedbenzylidine),1-thia, 3,4,8,triaza,6-oxa Spiro[4.4] nona-2,7-diene (4) were synthesized and screened for their antibacterial activity. The structures of the products were confirmed by IR, 1H,13C NMR and elemental analysis.

Syntheses and structures of technetium(V) and rhenium(V) oxo complexes of peptide having KYC-sequence

Energy Technology Data Exchange (ETDEWEB)

Takayama, T.; Suzuki, K.; Sekine, T.; Kudo, H. [Dept. of Chemistry, Tohoku Univ., Sendai (Japan)

2000-07-01

Technetium(V) and rhenium(V) oxo complexes of a peptide having a KYC-sequence such as KYCAR (H{sub 3}L{sup 5}) and KYCAREPPTRTNAYQGQG-NH{sub 2} (H{sub 3}L{sup 18}) were synthesized, and structures of the complexes were characterized by spectroscopic techniques. All of the complexes were synthesized by the ligand exchange reaction of [(n-C{sub 4}H{sub 9}){sub 4}N][MOCl{sub 4}] (M = {sup 99}Tc, Re) with peptide in methanol or dimethylformamide solution. These complexes have a square pyramidal structure with an oxo ligand at the apical position. The peptide is coordinated to a metal atom through N{sub amine} of lysine. S{sub thiol} of cysteine, and N{sub amide} of tyrosine and cysteine in the equatorial plane. A lysine (CH{sub 2}){sub 4}NH{sub 2} group of the L{sup 5} ligand has the syn conformation with respect to metal-oxo bonding in the complex. The syn isomer was selectively formed in the ligand exchange reaction. The conversion of the syn isomer to the anti isomer was observed only for syn-[ReO(L{sup 5})], in which the coordination of water to the trans position of the oxo ligand was involved. (orig.)

Synthesis of Novel Ferrocenyl-containing Thiazole Derivatives

Institute of Scientific and Technical Information of China (English)

Ling SHAO; Yan HU; Xin ZHOU; Zhong JIN; Jian Bing LIU; Jian Xin FANG

2006-01-01

Novel ferrocenyl-containing thiazole derivatives have been synthesized from 2-amino-4-ferrocenyl-5-(1H-1, 2, 4-triazole-1-yl)thiazole and acyl chloride. And their structures were determined by 1H NMR and elemental analysis.

New Potentially Active Pyrazinamide Derivatives Synthesized Under Microwave Conditions

Directory of Open Access Journals (Sweden)

Ondrej Jandourek

2014-07-01

Full Text Available A series of 18 N-alkyl substituted 3-aminopyrazine-2-carboxamides was prepared in this work according to previously experimentally set and proven conditions using microwave assisted synthesis methodology. This approach for the aminodehalogenation reaction was chosen due to higher yields and shorter reaction times compared to organic reactions with conventional heating. Antimycobacterial, antibacterial, antifungal and photosynthetic electron transport (PET inhibiting in vitro activities of these compounds were investigated. Experiments for the determination of lipophilicity were also performed. Only a small number of substances with alicyclic side chain showed activity against fungi which was the same or higher than standards and the biological efficacy of the compounds increased with rising lipophilicity. Nine pyrazinamide derivatives also inhibited PET in spinach chloroplasts and the IC50 values of these compounds varied in the range from 14.3 to 1590.0 μmol/L. The inhibitory activity was connected not only with the lipophilicity, but also with the presence of secondary amine fragment bounded to the pyrazine ring. Structure-activity relationships are discussed as well.

Synthesis, spectroscopic characterization and a comparative study of the corrosion inhibitive efficiency of an α-aminophosphonate and Schiff base derivatives: Experimental and theoretical investigations

Science.gov (United States)

Benbouguerra, Khalissa; Chafaa, Salah; Chafai, Nadjib; Mehri, Mouna; Moumeni, Ouahiba; Hellal, Abdelkader

2018-04-01

New α-aminophosphonate (α-APD) and Schiff base (E-NDPIMA) derivatives have been prepared and their structures ware proved by IR, UV-Vis, 1H, 13C and 31P NMR spectroscopy. Their inhibitive capacities on the XC48 carbon steel corrosion in 0.5 mol L-1 H2SO4 solution were explored by weight loss, Tafel polarization, electrochemical impedance spectroscopy (EIS) and atomic force microscope (AFM). Experimental results illustrate that the synthesized compounds are an effectives inhibitors and the adsorption of inhibitors molecules on the carbon steel surface obeys Langmuir adsorption isotherm. In addition, quantum chemical calculations performed with density function theory (DFT) method have been used to correlate the inhibition efficiency established experimentally. Also, the molecular dynamics simulations have been utilized to simulate the interactions between the inhibitors molecules and Fe (100) surface in aqueous solution.

Design, Synthesis and the Biological Evaluation of New 1,3-Thiazolidine-4-ones Based on the 4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one Scaffold

Directory of Open Access Journals (Sweden)

Maria Apotrosoaei

2014-09-01

Full Text Available New thiazolidine-4-one derivatives based on the 4-aminophenazone (4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one scaffold have been synthesized as potential anti-inflammatory drugs. The pyrazoline derivatives are known especially for their antipyretic, analgesic and anti-inflammatory effects, but recently there were synthesized new compounds with important antioxidant, antiproliferative, anticancer and antidiabetic activities. The beneficial effects of these compounds are explained by nonselective inhibition of cyclooxygenase izoenzymes, but also by their potential scavenging ability for reactive oxygen and nitrogen species. The structure of the new compounds was proved using spectroscopic methods (FR-IR, 1H-NMR, 13C-NMR, MS. The in vitro antioxidant potential of the synthesized compounds was evaluated according to the ferric reducing antioxidant power, phosphomolydenum reducing antioxidant power, DPPH and ABTS radical scavenging assays. The chemical modulation of 4-aminophenazone (6 through linkage to thiazolidine-propanoic acid derivatives 5a–l led to improved antioxidant potential, all derivatives 7a–l being more active than phenazone. The most active compounds are the derivatives 7e, and 7k, which showed the higher antioxidant effect depending on the antioxidant assay considered.

Synthesis and Biological Activity Evaluation of Novel Heterocyclic Pleuromutilin Derivatives

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Yunpeng Yi

2017-06-01

Full Text Available A series of pleuromutilin derivatives were synthesized by two synthetic procedures under mild reaction conditions and characterized by Nuclear Magnetic Resonance (NMR, Infrared Spectroscopy (IR, and High Resolution Mass Spectrometer (HRMS. Most of the derivatives with heterocyclic groups at the C-14 side of pleuromutilin exhibited excellent in vitro antibacterial activities against Staphylococcus aureus, methicillin-resistant Staphylococcus aureus (MRSA, methicillin-resistant Staphylococcus epidermidis (MRSE, and vancomycin-resistant Enterococcus (VRE in vitro antibacterial activity. The synthesized derivatives which contained pyrimidine rings, 3a, 3b, and 3f, displayed modest antibacterial activities. Compound 3a, the most active antibacterial agent, displayed rapid bactericidal activity and affected bacterial growth in the same manner as that of tiamulin fumarate. Moreover, molecular docking studies of 3a and lefamulin provided similar information about the interactions between the compounds and 50S ribosomal subunit. The results of the study show that pyrimidine rings should be considered in the drug design of pleuromutilin derivatives.

DISCOVERY OF THREE DISTANT, COLD BROWN DWARFS IN THE WFC3 INFRARED SPECTROSCOPIC PARALLELS SURVEY

International Nuclear Information System (INIS)

Masters, D.; Siana, B.; McCarthy, P.; Hathi, N. P.; Dressler, A.; Burgasser, A. J.; Malkan, M.; Ross, N. R.; Scarlata, C.; Henry, A.; Colbert, J.; Atek, H.; Rafelski, M.; Teplitz, H.; Bunker, A.

2012-01-01

We present the discovery of three late-type (≥T4.5) brown dwarfs, including a probable Y dwarf, in the WFC3 Infrared Spectroscopic Parallels (WISP) survey. We use the G141 grism spectra to determine the spectral types of the dwarfs and derive distance estimates based on a comparison with nearby T dwarfs with known parallaxes. These are the most distant spectroscopically confirmed T/Y dwarfs, with the farthest at an estimated distance of ∼400 pc. We compare the number of cold dwarfs found in the WISP survey with simulations of the brown dwarf mass function. The number found is generally consistent with an initial stellar mass function dN/dM∝M –α with α = 0.0-0.5, although the identification of a Y dwarf is somewhat surprising and may be indicative of either a flatter absolute magnitude/spectral-type relation than previously reported or an upturn in the number of very-late-type brown dwarfs in the observed volume.

Synthesis, characterization and antimicrobial activity of potential bioactive organotin(iv) dithiocarboxylates

International Nuclear Information System (INIS)

Abbas, S.M.; Sirajuddin, M.; Shah, F.A.

2013-01-01

A series of newly synthesized organotin(IV) compounds; Me/sub 2/SnClL (1) Bu2SnClL (2), Ph/sub 2/SnClL (3), Me/sub 3/SnL (4), Ph3SnL (5) have been derived from the reaction of organotin(IV) chlorides with 4-formylpiperazinium 4-formylpiperazine-1-carbodithioate (L) in the appropriate molar ratio. Their spectroscopic investigations have been carried out in solution state. Based on spectroscopic results, the ligand appeared to coordinate to the Sn atom through the CSS moiety. Bioassay results have revealed that these compounds have good antibacterial and antifungal activities and may well be the basis for a new class of antimicrobial drugs. The triorganotin(IV) derivatives in particular, were found to be more active than diorganotin(IV) compounds. (author)

Molecular Insights into the Potential Insecticidal Interaction of β-Dihydroagarofuran Derivatives with the H Subunit of V-ATPase

Directory of Open Access Journals (Sweden)

Jielu Wei

2017-10-01

Full Text Available Celangulin V (CV, one of dihydroagarofuran sesquiterpene polyesters isolated from Chinese bittersweet (Celastrus angulatus Maxim, is famous natural botanical insecticide. Decades of research suggests that is displays excellent insecticidal activity against some insects, such as Mythimna separata Walker. Recently, it has been validated that the H subunit of V-ATPase is one of the target proteins of the insecticidal dihydroagarofuran sesquiterpene polyesters. As a continuation of the development of new pesticides from these natural products, a series of β-dihydroagarofuran derivatives have been designed and synthesized. The compound JW-3, an insecticidal derivative of CV with a p-fluorobenzyl group, exhibits higher insecticidal activity than CV. In this study, the potential inhibitory effect aused by the interaction of JW-3 with the H subunit of V-ATPase c was verified by confirmatory experiments at the molecular level. Both spectroscopic techniques and isothermal titration calorimetry measurements showed the binding of JW-3 to the subunit H of V-ATPase was specific and spontaneous. In addition, the possible mechanism of action of the compound was discussed. Docking results indicated compound JW-3 could bind well in ‘the interdomain cleft’ of the V-ATPase subunit H by the hydrogen bonding and make conformation of the ligand–protein complex become more stable. All results are the further validations of the hypothesis, that the target protein of insecticidal dihydroagarofuran sesquiterpene polyesters and their β-dihydroagarofuran derivatives is the subunit H of V-ATPase. The results also provide new ideas for developing pesticides acting on V-ATPase of insects.

Green synthesis of chalcones derivatives as intermediate of flavones and their antibacterial activities

Energy Technology Data Exchange (ETDEWEB)

VH, Elfi Susanti, E-mail: elsantivh@yahoo.com; Redjeki, Tri, E-mail: tri-redjeki@yahoo.com [Universitas Sebelas Maret, Ir Sutami 36A Surakarta Indonesia, 57126 (Indonesia); Matsjeh, Sabirin, E-mail: sabirin-mara@yahoo.com; Wahyuningsih, Tutik Dwi, E-mail: mustofajogya@yahoo.co.id [Department of Chemistry FMJPA Universitas Gadjah Mada, Jl Sekip Utara, Yogyakarta Indonesia 55281 (Indonesia); Mustofa, E-mail: tutikdw@hotmail.com [Faculty of Medicine, Universitas Gadjah Mada, Yogyakarta Jl. Sekip Utara Yogyakarta Indonesia, 55281 (Indonesia)

2016-02-08

Four chalcones derivatives have been synthesized from 3,4-dimethoxybenzaldehyde and acetophenone derivatives (2-hydroxy acetophenone, 2,4-dihydroxy acetophenone, 2,5-dihydroxy acetophenone and 2,6-dihydroxy acetophenone). The synthesis of these chalcones were conducted by Claisen-Schmidt condensation using grinding techniques at room temperature in the absence of solvents. The chalcones were prepared by grinding together equivalent amount of the approriate hydroxyacetophenone and 3,4-dimethoxybenzaldehyde in the presence of solid sodium hydroxide. Grinding techniques for synthesis of the chalcones derivatives is simple, efficient and environmentally benign compared to conventional methods. Then, the four chalcones derivatives undergo cyclization reactions to produce four flavones after reacted with iodine. The synthesized compounds were characterized by spectrometry (IR, {sup 1}H-NMR, {sup 13}C-NMR and MS)

Anthrarobin and its derivatives: evaluation of antibacterial and lipoxygenase inhibition activities

International Nuclear Information System (INIS)

Lateef, M.; Iqbal, S.

2013-01-01

The antibacterial activity of anthrarobin and its synthesized derivatives 1, 10-dihydoxyanthracen-2-0-acetate (1) and anthracen-1, 2-10-tri-O-acetate (2) is determined against two Gram-negative bacteria (Escherichia coli, Pseudomonas aerogenosa) and two Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis) along with the lipoxygenase inhibition activity. Gentamycin (0.3 %) was used as standard antibiotic for antibacterial assay. The minimum inhibitory concentration (MIC) was determined by agar well diffusion method. Anthrarobin showed highest antibacterial activity against all the tested bacteria while anthracen-1, 2-10-tri-0-acetate (2) exhibited 97 % activity against Gram-positive bacteria, Staphylococcus aureus, and; 36 % activity against Gram-negative bacteria Escherichia coli. On the other hand, 1, 10-dihydoxyanthracen-2-0-acetate (1) remained non-significant against all the bacteria tested. When anthrarobin and its derivatives were analyzed for lipoxygenase inhibition studies, only anthrarobin showed weak inhibition activity with IC 5 0 value of 65.2 μM. It is concluded that anthrarobin has significant potential for antibacterial activity as compared to its synthesized derivatives. Structure-activity relationship suggests that numbers of hydroxyl group in anthrarobin may be responsible for antimicrobial activity and the activity decreases with the substitution of acyl groups in synthesized derivatives. (author)

Spectroscopic failures in photometric redshift calibration: cosmological biases and survey requirements

Energy Technology Data Exchange (ETDEWEB)

Cunha, Carlos E. [KIPAC, Menlo Park; Huterer, Dragan [Michigan U.; Lin, Huan [Fermilab; Busha, Michael T. [Zurich U.; Wechsler, Risa H. [SLAC

2014-10-11

We use N-body-spectro-photometric simulations to investigate the impact of incompleteness and incorrect redshifts in spectroscopic surveys to photometric redshift training and calibration and the resulting effects on cosmological parameter estimation from weak lensing shear-shear correlations. The photometry of the simulations is modeled after the upcoming Dark Energy Survey and the spectroscopy is based on a low/intermediate resolution spectrograph with wavelength coverage of 5500{\\AA} < {\\lambda} < 9500{\\AA}. The principal systematic errors that such a spectroscopic follow-up encounters are incompleteness (inability to obtain spectroscopic redshifts for certain galaxies) and wrong redshifts. Encouragingly, we find that a neural network-based approach can effectively describe the spectroscopic incompleteness in terms of the galaxies' colors, so that the spectroscopic selection can be applied to the photometric sample. Hence, we find that spectroscopic incompleteness yields no appreciable biases to cosmology, although the statistical constraints degrade somewhat because the photometric survey has to be culled to match the spectroscopic selection. Unfortunately, wrong redshifts have a more severe impact: the cosmological biases are intolerable if more than a percent of the spectroscopic redshifts are incorrect. Moreover, we find that incorrect redshifts can also substantially degrade the accuracy of training set based photo-z estimators. The main problem is the difficulty of obtaining redshifts, either spectroscopically or photometrically, for objects at z > 1.3. We discuss several approaches for reducing the cosmological biases, in particular finding that photo-z error estimators can reduce biases appreciably.

Synthesis and Anti-Bacterial Activities of Some Novel Schiff Bases Derived from Aminophenazone

Directory of Open Access Journals (Sweden)

Salman A Khan

2010-10-01

Full Text Available A series of 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one-containing Schiff bases were synthesized, characterized and screened for their antibacterial activities. The structures of the synthesized compounds were established by spectroscopic (FT-IR, 1H-NMR, 13C-NMR, MS and elemental analyses. The anti-bacterial activities (with MIC values of compounds were evaluated. The anti-bacterial screening results reveal that among the six compounds screened, four compounds showed moderate to good anti-bacterial activity. Among the tested compounds, the most effective compounds against four bacterial strains, viz. Escherichia coli, Staphylococcus aureus, Salmonella typhimurium and Streptococcus pyogenes, are [(2-Chlorobenzylideneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one (4 and [(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yliminomethyl]benzonitrile (5 with MIC values of 6.25 μg/mL.

Cytotoxicity and Radiosensitising Activity of Synthesized Dinitrophenyl Derivatives of 5-Fluorouracil

Directory of Open Access Journals (Sweden)

Khosrou Abdi

2012-07-01

Full Text Available Background and the purpose of the study: Dual functional agents in which nitroaromatic or nitroheterocyclic compounds are attached through a linker unit to mustards and aziridines have shown higher cytotoxicities than the corresponding counterparts to both aerobic and hypoxic cells and enhanced radiosensitizing activity. In thepresent investigation cytotoxicity and radiosensitizing activity of 2,4-dinitrobenzyl, 2,4-dinitrobenzoyl, and 2,4-dinitrophenacetyl derivatives of 5-fluorouracil which was assumed to release cytotoxic active quinone methidide,and 5-fluorouracil under hypoxic conditions on HT-29 cell line under both aerobic and hypoxic conditions wasinvestigated.Methods: 5-fluorouracil derivative X-XIII were prepared by the reaction of the corresponding di-nitro substitutedbenzyl, benzoyl and phenacetyl halides with 5-fluorouracil protected at N-1 with di-t-butoxydicarbonate (BOC in dimethyl formamide (DMF in the presence of the potassium carbonate followed by hydrolysis of the blocking,group by potassium carbonate in methanol. Cytotoxicity of fluorouracil VIII and tested compounds X-XIII against HT-29cell line under both aerobic and hypoxic conditions after 48 hrs incubation were measured by determination of the percent of the survival cells using 3-(4,5-Dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide (MTT assay and percent of the dead cells using propidium iodide(PI-digitonine assay and results were used to calculate the corresponding IC50 values. Radiosensitization experiments were carried out by irradiation of the incubations with a 60Co source and clonogenic assay was performed to determine the cell viabilities following treatment with the tested compounds and/or radiation. Sensitization Enhancement Ratio (SER of each tested compound was obtained from the radiation survival curves in the absence and presence of each sensitizer for 37% survival respectively.Results and major conclusion: Findings of the present study showed that

Corrosion Inhibition of High Speed Steel by Biopolymer HPMC Derivatives

Directory of Open Access Journals (Sweden)

Shih-Chen Shi

2016-07-01

Full Text Available The corrosion inhibition characteristics of the derivatives of biopolymer hydroxypropyl methylcellulose (HPMC, hydroxypropyl methylcellulose phthalate (HPMCP, and hydroxypropyl methylcellulose acetate succinate (HPMCAS film are investigated. Based on electrochemical impedance spectroscopic measurements and potentiodynamic polarization, the corrosion inhibition performance of high speed steel coated with HPMC derivatives is evaluated. The Nyquist plot and Tafel polarization demonstrate promising anti-corrosion performance of HPMC and HPMCP. With increasing film thickness, both materials reveal improvement in corrosion inhibition. Moreover, because of a hydrophobic surface and lower moisture content, HPMCP shows better anti-corrosion performance than HPMCAS. The study is of certain importance for designing green corrosion inhibitors of high speed steel surfaces by the use of biopolymer derivatives.

Synthesis of novel chromeno-annulated cis-fused pyrano[3,4-c]benzopyran and naphtho pyran derivatives via domino aldol-type/hetero Diels-Alder reaction and their cytotoxicity evaluation.

Science.gov (United States)

Madda, Jyothi; Venkatesham, Akkaladevi; Naveen Kumar, Bejjanki; Nagaiah, Kommu; Sujitha, Pombala; Ganesh Kumar, C; Rao, Tadikamalla Prabhakar; Jagadeesh Babu, Nanubolu

2014-09-15

New chromeno-annulated cis-fused pyrano[3,4-c]benzopyran and naphtho pyran derivatives have been synthesized by domino aldol-type reaction/hetero Diels-Alder reaction generated from o-quinone methide in situ from 7-O-prenyl derivatives of 8-formyl-2,3-disubstituted chromenones with resorcinols/naphthols in the presence of 20 mol% ethylenediamine diacetate (EDDA), triethylamine (2 mL) as co-catalyst in CH3CN under reflux conditions in good yields. The structures were established based on spectroscopic data, and further confirmed by X-ray diffraction analysis. The results showed that compounds 4h and 4j exhibited very potent cytotoxicity against human cervical cancer cell line (HeLa). Compound 4h displayed good inhibitory activity against both breast cancer cell lines, MDA-MB-231 and MCF-7. Further, the compound 4i exhibited good cytotoxicity against only MDA-MB-231, and compound 4j showed promising activity against human lung cancer cell line, A549 with IC50 value of 2.53±0.07 μM, which was comparable to the standard doxorubicin (IC50=1.21±0.1 μM). Copyright © 2014 Elsevier Ltd. All rights reserved.

Chemical Synthesis and Biological Activities of Novel Pleuromutilin Derivatives with Substituted Amino Moiety

Science.gov (United States)

Shang, Ruofeng; Wang, Shengyu; Xu, Ximing; Yi, Yunpeng; Guo, Wenzhu; YuLiu; Liang, Jianping

2013-01-01

Novel pleuromutilin derivatives designed based on the structure of valnemulin were synthesized and evaluated for their in vitro antibacterial activities. These pleuromutilin derivatives with substituted amino moiety exhibited excellent activities against methicillin-resistant Staphylococcus aureus, methicillin-resistant Staphylococcus epidermidis, Escherichia coli, and Streptococcus agalactiae. Compound 5b showed the highest antibacterial activities and even exceeded tiamulin. Moreover, the docking experiments provided information about the binding model between the synthesized compounds and peptidyl transferase center (PTC) of 23S rRNA. PMID:24376551

Chemical synthesis and biological activities of novel pleuromutilin derivatives with substituted amino moiety.

Directory of Open Access Journals (Sweden)

Ruofeng Shang

Full Text Available Novel pleuromutilin derivatives designed based on the structure of valnemulin were synthesized and evaluated for their in vitro antibacterial activities. These pleuromutilin derivatives with substituted amino moiety exhibited excellent activities against methicillin-resistant Staphylococcus aureus, methicillin-resistant Staphylococcus epidermidis, Escherichia coli, and Streptococcus agalactiae. Compound 5b showed the highest antibacterial activities and even exceeded tiamulin. Moreover, the docking experiments provided information about the binding model between the synthesized compounds and peptidyl transferase center (PTC of 23S rRNA.

Fluorescence studies on 2-(het)aryl perimidine derivatives

Energy Technology Data Exchange (ETDEWEB)

Giani, Arianna Maria [Dipartimento di Scienze del Farmaco, Università degli Studi del Piemonte Orientale “A. Avogadro”, Largo Donegani 2/3, I-28100 Novara (Italy); Lamperti, Marco; Maspero, Angelo; Cimino, Alessandro [Dipartimento di Scienza e Alta Tecnologia, Università degli Studi dell’Insubria, Via Valleggio 11, I-22100 Como (Italy); Negri, Roberto; Giovenzana, Giovanni Battista [Dipartimento di Scienze del Farmaco, Università degli Studi del Piemonte Orientale “A. Avogadro”, Largo Donegani 2/3, I-28100 Novara (Italy); Palmisano, Giovanni [Dipartimento di Scienza e Alta Tecnologia, Università degli Studi dell’Insubria, Via Valleggio 11, I-22100 Como (Italy); Nardo, Luca, E-mail: luca.nardo@unimib.it [Dipartimento di Medicina e Chirurgia, Università degli Studi di Milano-Bicocca, Via Cadore 48, I-20900 Monza (Italy)

2016-11-15

Perimidines are extensively studied for their different therapeutic properties, including antiulcer, antifungal, antimicrobial, immunosuppressive and anticancer activities. Moreover, their heterocyclic structure embodies the naphthalene moiety, exploited in bio-imaging and biomolecules staining due to its high fluorescence. In this work we present the spectroscopic characterization of a family of perimidine derivatives, in order to obtain information potentially useful for the design of compounds combining biological activity and detectable fluorescence in physiological environment.

THE USE OF THE FURFURAL FROM THE SOLID WASTE OF SUGAR INDUSTRY (BAGASSE TO SYNTHESIZE -(2-FURYL ACRYLIC ACID AS AN ALTERNATIVE FOR THE RAW MATERIAL OF SUNSCREEN COMPOUND

Directory of Open Access Journals (Sweden)

Mitarlis Mitarlis

2010-06-01

Full Text Available The research of the usefullness of furfural from bagasse for the production of β-(2-furyl-acrilyc acid as an alternative raw material of sunscreen compound had been done. The research was done on two stages, the first stage was synthesis of furfural from bagasse and the second was synthesis of β-(2-furyl-acrilyc acid that is an analog of cynnamic acid in which some derivatives are known possess activities as sunscreen. Cynnamic acid could be produced from benzaldehyde by Perkin methods using alkali hydrolysis. With the similarity of the main structure, so β-(2-furyl-acrilyc acid can also be synthesized from furfural by Perkin method. The β-(2-furyl-acrilyc acid had been synthesized in this research from furfural isolated from bagasse by NaOH hydrolysis. Synthesis was done by reflux for 2 hr at 140 - 145 oC and 3 hr at 145 - 150 oC. From the spectroscopic data its known that furfural could be produced from bagasse in 11.65 % yield and 33.83% of β-(2-furyl-acrilyc acid from the synthesis on the second process. The UV -Vis spectrophotometer analysis result of β-(2-furyl-acrilyc acids showed λmax at 296.20 nm. It showed that until this step the sunscreen compound can be resulted from furfural isolated from bagasse, especially as a sunscreen that protected skin from eritema (λmax at 290 - 320 nm that is called as sunscreen UV-B. Keywords: Bagasse, furfural, sunscreen, β-(2- furil - acrylic acid.

Bioactive Pentacyclic Triterpene Ester Derivatives from Alnus viridis ssp. viridis Bark.

Science.gov (United States)

Novakovic, Miroslav; Nikodinovic-Runic, Jasmina; Veselinovic, Jovana; Ilic-Tomic, Tatjana; Vidakovic, Vera; Tesevic, Vele; Milosavljevic, Slobodan

2017-05-26

Seven derivatives of pentacyclic triterpene acids (1-7) were isolated from the bark of Alnus viridis ssp. viridis using a combination of column chromatography and semipreparative HPLC. Compounds 1-3, 6, and 7 were determined to be new after spectroscopic data interpretation and were assigned as 27-hydroxyalphitolic acid derivatives (1-3), a 27-hydroxybetulinic acid derivative (6), and a 3-epi-maslinic acid derivative (7), respectively. Pentacyclic triterpenoids with a C-27 hydroxymethyl group have been found in species of the genus Alnus for the first time. These compounds were subjected to cytotoxicity testing against a number of cancer cell lines. Also, selected pentacyclic triterpenoids were selected as potential inhibitors of topoisomerases I and IIα for an in silico investigation.

Diffusion of water and ethanol in silicalite crystals synthesized in fluoride media

KAUST Repository

Zhang, Ke

2013-04-01

Diffusion of water and ethanol in silicalite has been studied in large crystals (70 μm × 30 μm × 15 μm) synthesized via a fluoride mediated route. The near-perfect hydrophobic silicalite (F-) crystals have very few internal silanol defects and, as a result, display water and ethanol transport behavior that is uncontaminated by these defects. The transport diffusivity (Dt) of ethanol is higher than that of water at the same sorbate activity. However, this difference is due to the difference in the shape of the isotherms. The thermodynamically corrected diffusivity (D o) of water is almost an order of magnitude higher than that of ethanol reflecting the difference in molecular size. Estimates of the permeability/permselectivity/separation factors for ethanol/water separation based on the present kinetic and equilibrium data for the fluoride synthesized crystals are compared with the values observed for traditional silicalite membranes. The present diffusivity values for fluoride synthesized silicalite are similar to the values for regular silicalite (OH-) derived from uptake rate measurements but much smaller (by more than four orders of magnitude) than the self-diffusivities derived from PFG-NMR measurements. This result is consistent with the results of other measurements of the diffusion of small molecules in silicalite which suggest that, in macroscopic measurements, the rate of intra-crystalline transport is controlled by the sub-structure (extensive twinning), rather than by diffusion in the ideal MFI micropores. In this situation microscale measurements such as PFG-NMR will lead to erroneously high estimates of transport rates and therefore of permeability and permselectivity. © 2012 Elsevier Inc. All rights reserved.

Diffusion of water and ethanol in silicalite crystals synthesized in fluoride media

KAUST Repository

Zhang, Ke; Lively, Ryan P.; Dose, Michelle E.; Li, Liwei; Koros, William J.; Ruthven, Douglas M.; McCool, Benjamin A.; Chance, Ronald R.

2013-01-01

Diffusion of water and ethanol in silicalite has been studied in large crystals (70 μm × 30 μm × 15 μm) synthesized via a fluoride mediated route. The near-perfect hydrophobic silicalite (F-) crystals have very few internal silanol defects and, as a result, display water and ethanol transport behavior that is uncontaminated by these defects. The transport diffusivity (Dt) of ethanol is higher than that of water at the same sorbate activity. However, this difference is due to the difference in the shape of the isotherms. The thermodynamically corrected diffusivity (D o) of water is almost an order of magnitude higher than that of ethanol reflecting the difference in molecular size. Estimates of the permeability/permselectivity/separation factors for ethanol/water separation based on the present kinetic and equilibrium data for the fluoride synthesized crystals are compared with the values observed for traditional silicalite membranes. The present diffusivity values for fluoride synthesized silicalite are similar to the values for regular silicalite (OH-) derived from uptake rate measurements but much smaller (by more than four orders of magnitude) than the self-diffusivities derived from PFG-NMR measurements. This result is consistent with the results of other measurements of the diffusion of small molecules in silicalite which suggest that, in macroscopic measurements, the rate of intra-crystalline transport is controlled by the sub-structure (extensive twinning), rather than by diffusion in the ideal MFI micropores. In this situation microscale measurements such as PFG-NMR will lead to erroneously high estimates of transport rates and therefore of permeability and permselectivity. © 2012 Elsevier Inc. All rights reserved.

Deriving temperature, mass, and age of evolved stars from high-resolution spectra. Application to field stars and the open cluster IC 4651

Science.gov (United States)

Biazzo, K.; Pasquini, L.; Girardi, L.; Frasca, A.; da Silva, L.; Setiawan, J.; Marilli, E.; Hatzes, A. P.; Catalano, S.

2007-12-01

Aims:We test our capability of deriving stellar physical parameters of giant stars by analysing a sample of field stars and the well studied open cluster IC 4651 with different spectroscopic methods. Methods: The use of a technique based on line-depth ratios (LDRs) allows us to determine with high precision the effective temperature of the stars and to compare the results with those obtained with a classical LTE abundance analysis. Results: (i) For the field stars we find that the temperatures derived by means of the LDR method are in excellent agreement with those found by the spectral synthesis. This result is extremely encouraging because it shows that spectra can be used to firmly derive population characteristics (e.g., mass and age) of the observed stars. (ii) For the IC 4651 stars we use the determined effective temperature to derive the following results. a) The reddening E(B-V) of the cluster is 0.12±0.02, largely independent of the color-temperature calibration used. b) The age of the cluster is 1.2±0.2 Gyr. c) The typical mass of the analysed giant stars is 2.0±0.2~M⊙. Moreover, we find a systematic difference of about 0.2 dex in log g between spectroscopic and evolutionary values. Conclusions: We conclude that, in spite of known limitations, a classical spectroscopic analysis of giant stars may indeed result in very reliable stellar parameters. We caution that the quality of the agreement, on the other hand, depends on the details of the adopted spectroscopic analysis. Based on observations collected at the ESO telescopes at the Paranal and La Silla Observatories, Chile.

Soft-Template-Synthesized Mesoporous Carbon for Oral Drug Delivery

Energy Technology Data Exchange (ETDEWEB)

Saha, Dipendu [ORNL; Warren, Kaitlyn E [ORNL; Naskar, Amit K [ORNL

2014-01-01

Template-synthesized mesoporous carbons were successfully used in in vitro investigations of controlled delivery of three model drugs, captopril, furosemide, and ranitidine hydrochloride. Captopril and furosemide exhibited desorption kinetics over 30 40 h, and ranitidine HCl had a complete release time of 5 10 h. As evident from the slow release kinetics, we contend that our mesoporous carbon is an improved drug-delivery medium compared to state-of-the-art porous silica-based substrates. The mesoporous carbons, synthesized from phloroglucinol and lignin, a synthetic and a sustainable precursor, respectively, exhibit BET surface area of 200 400 m2 g-1 and pore volume of 0.2 0.6 cm3 g-1. The phloroglucinol-based carbon has narrower pore widths and higher pore volume than the lignin-derived counterpart and maintains a longer release time. Numerical modeling of the release kinetics data reveals that the diffusivities of all the drugs from lignin-based carbon media are of equivalent magnitude (10-22 to 10-24 m2 s-1). However, a tailored reduction of pore width in the sorbent reduces the diffusivity of smaller drug molecules (captopril) by an order of magnitude. Thus, engineered pore morphology in our synthesized carbon sorbent, along with its potential to tailor the chemistry of its interaction with sorbet, can be exploited for optimal delivery system of a preferred drug within its therapeutic level and below the level of toxicity.

Synthesis of some new derivatives of thiazolopyrimidines and ...

Indian Academy of Sciences (India)

In addition, a new series of thiazole-fused pyrimidines were synthesized and hydrolysis of one of its arylidene derivative studied. ..... ondary amines like morpholine, piperidine and pyrro- ..... Biginelli one pot cyclo-condensation reaction.21 The.

Superparamagnetic behavior of nanosized Co{sub 0.2}Zn{sub 0.8}Fe{sub 2}O{sub 4} synthesized by a flow rate controlled chemical coprecipitation method

Energy Technology Data Exchange (ETDEWEB)

Dey, S. [Department of Physics, Jadavpur University, Kolkata 700032 (India); Dey, S.K. [Department of Physics, Jadavpur University, Kolkata 700032 (India); Department of Physics, NITMAS, 24 Pargana(s) 743368 (India); Majumder, S. [Department of Physics, Jadavpur University, Kolkata 700032 (India); Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Poddar, A.; Dasgupta, P.; Banerjee, S. [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Kumar, S., E-mail: kumars@phys.jdvu.ac.in [Department of Physics, Jadavpur University, Kolkata 700032 (India)

2014-09-01

We have studied the structural, microstructural and magnetic properties of nanosized (∼20 nm) Co{sub 0.2}Zn{sub 0.8}Fe{sub 2}O{sub 4} synthesized by a flow rate controlled coprecipitation method. The phase purity and crystallinity of the sample have been confirmed by powder X-ray diffraction and high resolution transmission electron microscopic studies. According to the results of dc magnetic measurements the sample exhibits superparamagnetic behavior above 70 K due to its nanometric size. This has been corroborated by Mössbauer spectroscopic study at 300 K. The infield Mössbauer spectroscopic study indicates that the sample behaves ferrimagnetically at 10 K and it possesses equilibrium cation distribution. The saturation magnetization of the sample (M{sub SAT}∼32 emu g{sup −1} at 300 K) is substantially lower than its bulk counterpart (M{sub SAT}=80 emu g{sup −1}) but higher than those having same composition synthesized by the conventional coprecipitation method. This has been attributed to finite size and spin canting effects as well as good crystalline character and bulk like equilibrium cation distribution of the sample. We have shown that the flow rate controlled coprecipitation method can produce nanosized ferrites with very good crystalline order and equilibrium cation distribution but they exhibit reduction of magnetization, magnetic order and ordering temperature compared to their bulk counterparts due to spin canting effect and finite size effect.

The effect of synthesis temperature on the formation of hydrotalcites in Bayer liquor: a vibrational spectroscopic analysis.

Science.gov (United States)

Palmer, Sara J; Frost, Ray L

2009-07-01

The seawater neutralization process is currently used in the alumina industry to reduce the pH and dissolved metal concentrations in bauxite refinery residues through the precipitation of Mg, Al, and Ca hydroxide and carbonate minerals. This neutralization method is very similar to the co-precipitation method used to synthesize hydrotalcite (Mg6Al2(OH)16CO3.4H2O). This study looks at the effect of temperature on the type of precipitates that form from the seawater neutralization process of Bayer liquor. The Bayer precipitates have been characterized by a variety of techniques, including X-ray diffraction (XRD), Raman spectroscopy, and infrared spectroscopy. The mineralogical composition of Bayer precipitates largely includes hydrotalcite, hydromagnesite, and calcium carbonate species. Analysis with XRD determined that Bayer hydrotalcites that are synthesized at 55 degrees C have a larger interlayer distance, indicating that more anions are removed from Bayer liquor. Vibrational spectroscopic techniques have identified an increase in hydrogen bond strength for precipitates formed at 55 degrees C, suggesting the formation of a more stable Bayer hydrotalcite. Raman spectroscopy identified the intercalation of sulfate and carbonate anions into Bayer hydrotalcites using these synthesis conditions.

Phloroglucinol derivatives and flavones from Helichrysum paronychioides

Directory of Open Access Journals (Sweden)

J. Mutanyatta-Comar

2006-06-01

Full Text Available Investigation of Helichrysum paronychioides afforded a total of nine compounds: 4 phloroglucinol derivatives, 2 of which are novel natural products, and 5 flavone derivatives. Structures were established by various spectroscopic techniques (NMR, MS, UV, IR, CD and by comparison with literature data for the known compounds. The four phloroglucinols, trans-(2R,3R-5,7-dihydroxy-2,3-dimethyl-4-chromanone (1, 2-butanoyl-4-prenyl-1-methoxy phloroglucinol (2, 2-(2-methylpropanoyl-4-prenylphloroglucinol (3 and 2-(2-methyl- butanoyl-4-prenylphloroglucinol (4 were screened for antioxidant activity against Cu-induced LDL oxidation. Compound 4 was found to be the most active inhibiting LDL oxidation at all concentrations (0.5-10 μM while the other three showed moderate to no activity.

Syntheses of some Bunte's salts, isothiourea derivatives and thioethers, potential radioprotective agents. Part 40

International Nuclear Information System (INIS)

Tulecki, J.; Kalinowska Torz, J.; Musial, E.; Nacewicz-Anjedani, H.; Senczuk, L.; Skwarski, D.; Sobolewski, H.

1977-01-01

By reacting respective halogen-derivatives with sodium or potassium thiosulphate there were obtained sodium or potassium salts of S-thiosulphates of 1-ureidocarbonyl-1-butyl, 3,4-dihydroxyphenacyl, carbophenoxymethyl, 2-hydroxyphenacyl, /N-(4-iodophenyl) carbamyl/methyl, /N-(4-iodophenyl) carbamyl/ethyl, /N-(2-iodophenyl) carbamyl/-methyl, /N-(2-iodophenyl) carbamyl/ethyl, /N-(6-carbomethoxybenzothiazolyl-2)-carbamyl/methyl, (2,4-dihydroxy-6-methylpyrimidyl-5)-methyl and (2,4-dihydroxypyrimidyl-5)-methyl. Reactions of thiourea with respective halogen-derivatives yielded hydrochlorides of 1-methyl-02-amidinothiomethylbenzimidazole, 1-ethyl-2-amidinothiomethylbenzimidazole, S-/N-(2-iodophenyl) carbamylethyl/ isothiourea, 5-amidinothiomethyl-6-methyl-2,4-dihydroxypyrimide and 5-amidinothiomethyl-2,4-dihydroxypyrimidine. Reactions of 4-chloroquinoline N-oxide with respective mercaptanes afforded thioether derivatives of quinoline N-oxide: 4-(p-chlorophenylthio)-4-(t-butylthio)-, 4-(3-naphtylthio)-, 4-(3-naphtylaminoacetylthio), 4-(benzimidazolythio)-, 4-(benzothiazolylthio) - and 4-benzoxalylthio. (author)

A Selective G-Quadruplex DNA-Stabilizing Ligand Based on a Cyclic Naphthalene Diimide Derivative

Directory of Open Access Journals (Sweden)

Md. Monirul Islam

2015-06-01

Full Text Available A cyclic naphthalene diimide (cyclic NDI, 1, carrying a benzene moiety as linker chain, was synthesized and its interaction with G-quadruplex DNAs of a-core and a-coreTT as a human telomeric DNA, c-kit and c-myc as DNA sequence at promoter region, or thrombin-binding aptamer (TBA studied based on UV-VIS and circular dichroism (CD spectroscopic techniques, thermal melting temperature measurement, and FRET-melting assay. The circular dichroism spectra showed that 1 induced the formation of different types of G-quadruplex DNA structure. Compound 1 bound to these G-quadruplexes with affinities in the range of 106–107 M−1 order and a 2:1 stoichiometry. Compound 1 showed 270-fold higher selectivity for a-core than dsDNA with a preferable a-core binding than a-coreTT, c-kit, c-myc and TBA in the presence of K+, which is supported by thermal melting studies. The FRET-melting assay also showed that 1 bound preferentially to human telomeric DNA. Compound 1 showed potent inhibition against telomerase activity with an IC50 value of 0.9 μM and preferable binding to G-quadruplexes DNA than our previously published cyclic NDI derivative 3 carrying a benzene moiety as longer linker chain.

Fundamental spectroscopic studies of carbenes and hydrocarbon radicals

Energy Technology Data Exchange (ETDEWEB)

Gottlieb, C.A.; Thaddeus, P. [Harvard Univ., Cambridge, MA (United States)

1993-12-01

Highly reactive carbenes and carbon-chain radicals are studied at millimeter wavelengths by observing their rotational spectra. The purpose is to provide definitive spectroscopic identification, accurate spectroscopic constants in the lowest vibrational states, and reliable structures of the key intermediates in reactions leading to aromatic hydrocarbons and soot particles in combustion.

An Efficient One-Pot Synthesis of Pyrano[3,2-c]quinolin-2,5-dione Derivatives Catalyzed by L-Proline

Directory of Open Access Journals (Sweden)

Jing Wang

2012-11-01

Full Text Available A series of 4-aryl-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-2,5(6H-diones were synthesized via the three-component reactions of aromatic aldehydes, 4-hydroxy-1-methylquinolin-2(1H-one, and Meldrum’s acid catalyzed by L-proline. The structures of the products were identified by spectroscopic analysis. A mechanism for this three-component reaction catalyzed by L-proline was proposed.

Cytotoxicity and radiosensitising activity of synthesized dinitrophenyl derivatives of 5-fluorouracil

Directory of Open Access Journals (Sweden)

Khoshayand Mohammad

2012-07-01

Full Text Available Abstract Background and the purpose of the study Dual functional agents in which nitroaromatic or nitroheterocyclic compounds are attached through a linker unit to mustards and aziridines have shown higher cytotoxicities than the corresponding counterparts to both aerobic and hypoxic cells and enhanced radiosensitizing activity. In the present investigation cytotoxicity and radiosensitizing activity of 2,4-dinitrobenzyl, 2,4-dinitrobenzoyl, and 2,4-dinitrophenacetyl derivatives of 5-fluorouracil which was assumed to release cytotoxic active quinone methidide and 5-fluorouracil under hypoxic conditions on HT-29 cell line under both aerobic and hypoxic conditions was investigated. Methods 5-fluorouracil derivative X-XIII were prepared by the reaction of the corresponding di-nitro substituted benzyl, benzoyl and phenacetyl halides with 5-fluorouracil protected at N-1 with di-t-butoxydicarbonate (BOC in dimethyl formamide (DMF in the presence of the potassium carbonate followed by hydrolysis of the blocking group by potassium carbonate in methanol. Cytotoxicity of fluorouracil VIII and tested compounds X-XIII against HT-29 cell line under both aerobic and hypoxic conditions after 48 hrs incubation were measured by determination of the percent of the survival cells using 3-(4,5-Dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide (MTT assay and percent of the dead cells using propidium iodide(PI-digitonine assay and results were used to calculate the corresponding IC50 values. Radiosensitization experiments were carried out by irradiation of the incubations with a 60Co source and clonogenic assay was performed to determine the cell viabilities following treatment with the tested compounds and/or radiation. Sensitization Enhancement Ratio (SER of each tested compound was obtained from the radiation survival curves in the absence and presence of each sensitizer for 37% survival respectively. Results and major conclusion Findings of the present study

Facile Syntheses and Molecular-Docking of Novel Substituted 3,4-Dimethyl-1H-pyrrole-2-carboxamide/carbohydrazide Analogues with Antimicrobial and Antifungal Properties

Directory of Open Access Journals (Sweden)

Jitendra D. Bhosale

2018-04-01

Full Text Available The article describes the use of facile one-pot, high-yielding reactions to synthesize substituted 3,4-dimethyl-1H-pyrrole-2-carboxamides 3a–m and carbohydrazide analogues 5a–l as potential antifungal and antimicrobial agents. The structural identity and purity of the synthesized compounds were assigned based on appropriate spectroscopic techniques. Synthesized compounds were assessed in vitro for antifungal and antibacterial activity. The compounds 5h, 5i and 5j were found to be the most potent against Aspergillus fumigatus, with MIC values of 0.039 mg/mL. The compound 5f bearing a 2, 6-dichloro group on the phenyl ring was found to be the most active broad spectrum antibacterial agent with a MIC value of 0.039 mg/mL. The mode of action of the most promising antifungal compounds (one representative from each series; 3j and 5h was established by their molecular docking with the active site of sterol 14α-demethylase. Molecular docking studies revealed a highly spontaneous binding ability of the tested compounds in the access channel away from catalytic heme iron of the enzyme, which suggested that the tested compounds inhibit this enzyme and would avoid heme iron-related deleterious side effects observed with many existing antifungal compounds.

Citrus pectin derived porous carbons as a superior adsorbent toward removal of methylene blue

International Nuclear Information System (INIS)

Zhang, Wenlin; Zhang, Lian Ying; Zhao, Xi Juan; Zhou, Zhiqin

2016-01-01

An adsorbent, citrus pectin derived porous carbons with ultra-high adsorption capacity, rapid adsorption rate and good reusability toward removal of methylene blue, was synthesized by a facile zinc chloride activation approach in this study. The materials hold a great potential for treatment of dye wastewater. - Graphical abstract: Citrus pectin derived porous carbons with ultra-high adsorption capacity, rapid adsorption rate and good reusability toward methylene blue removal. - Highlights: • Citrus pectin derived porous carbons (CPPCs) were synthesized a facile zinc chloride activation approach. • CPPCs had abundant macro/meso/micropores for trapping MB molecules. • CPPCs exhibited ultrahigh adsorption capacity, rapid adsorption rate and good reusability toward removal of MB.

Citrus pectin derived porous carbons as a superior adsorbent toward removal of methylene blue

Energy Technology Data Exchange (ETDEWEB)

Zhang, Wenlin [College of Horticulture and landscape Architecture, Southwest University, Chongqing 400716 (China); Zhang, Lian Ying [Institute for Clean Energy & Advanced Materials, Southwest University, Chongqing 400715 (China); Zhao, Xi Juan [College of Horticulture and landscape Architecture, Southwest University, Chongqing 400716 (China); Key Laboratory of Horticulture Science for Southern Mountainous Regions, Ministry of Education, Chongqing 400715 (China); Zhou, Zhiqin, E-mail: zhouzhiqin@swu.edu.cn [College of Horticulture and landscape Architecture, Southwest University, Chongqing 400716 (China); Key Laboratory of Horticulture Science for Southern Mountainous Regions, Ministry of Education, Chongqing 400715 (China)

2016-11-15

An adsorbent, citrus pectin derived porous carbons with ultra-high adsorption capacity, rapid adsorption rate and good reusability toward removal of methylene blue, was synthesized by a facile zinc chloride activation approach in this study. The materials hold a great potential for treatment of dye wastewater. - Graphical abstract: Citrus pectin derived porous carbons with ultra-high adsorption capacity, rapid adsorption rate and good reusability toward methylene blue removal. - Highlights: • Citrus pectin derived porous carbons (CPPCs) were synthesized a facile zinc chloride activation approach. • CPPCs had abundant macro/meso/micropores for trapping MB molecules. • CPPCs exhibited ultrahigh adsorption capacity, rapid adsorption rate and good reusability toward removal of MB.

1,3-thiazolium-5-thiolates mesoionic compounds: semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples

Energy Technology Data Exchange (ETDEWEB)

Lyra, Bruno F.; Morais, Soraya A. de; Rocha, Gerd B.; Athayde-Filho, Petronio F. de, E-mail: gbr@quimica.ufpb.b [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Dept. de Quimica; Miller, Joseph [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Lab. de Tecnologia Farmaceutica; Moura, Gustavo L.C.; Simas, Alfredo M. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Quimica Fundamental; Peppe, Clovis [Universidade Federal de Santa Maria (UFSM), RS (Brazil). Dept. de Quimica

2010-07-01

Semiempirical AM1-TDHF calculations of the static first hyperpolarizabilities, beta(0), of 1,3-thiazolium-5-thiolate mesoionic derivatives were performed. Guided by these results, two new mesoionic compounds - 2-(4-nitrophenyl)-3-methyl-4-(methylphenyl)-1,3-thiazolium-5-thiolate and 2-(4-nitrophenyl)-3-methyl-4-(methoxyphenyl)-1,3-thiazolium-5-thiolate - were synthesized and characterized by analytical and spectroscopic means. (author)

Tripolar Mesoionic Compounds

OpenAIRE

Shuki, Araki; Jiro, Mizuya; Naomitsu, Aoyama; Yasuo, Butsugan

1995-01-01

Tripolar mesoionic compounds have been synthesized by the reaction of (1,3-diphenyltetrazol-5-ylio)cyclopentadienide (or -indenide) with the dicationic ether salts derived from mesoionic olates and trifluoromethanesulfonic anhydride. The structures of the newly prepared mesoionic systems are discussed on the basis of spectroscopic analysis; it is shown that the tripolar [tetrazolium-cyclopentadienide (or indenide)-tetrazolium] canonical structure contributes significantly to the ground state ...

Gas Chromatography-Mass Spectroscopic (GC-MS) Analysis of n ...

African Journals Online (AJOL)

tuber-regium (synonym Pleurotus tuber regium) using gas chromatography-mass spectroscopic (GC-. MS) techniques. Methods: The n-hexane extract of the sclerotia ... Soxhlet extraction and analysed using gas chromatography-mass spectroscopic (MS) techniques. ..... Phytochemical composition of Pleurotus tuber regium.

Optical constants of graphene measured by spectroscopic ellipsometry

NARCIS (Netherlands)

Weber, J.W.; Calado, V.E.; Van de Sanden, M.C.M.

2010-01-01

A mechanically exfoliated graphene flake ( ? 150×380??m2) on a silicon wafer with 98 nm silicon dioxide on top was scanned with a spectroscopic ellipsometer with a focused spot ( ? 100×55??m2) at an angle of 55°. The spectroscopic ellipsometric data were analyzed with an optical model in which the

Optical constants of graphene measured by spectroscopic ellipsometry

NARCIS (Netherlands)

Weber, J.W.; Calado, V.E.; Sanden, van de M.C.M.

2010-01-01

A mechanically exfoliated graphene flake ( ~ 150×380 µm2) on a silicon wafer with 98 nm silicon dioxide on top was scanned with a spectroscopic ellipsometer with a focused spot ( ~ 100×55 µm2) at an angle of 55°. The spectroscopic ellipsometric data were analyzed with an optical model in which the

Spectroscopic studies of some lanthanide(III nitrate complexes synthesized from a new ligand 2,6-bis-(salicylaldehyde hydrazone-4-chlorophenol

Directory of Open Access Journals (Sweden)

A.S. Sall

2003-06-01

Full Text Available The ligand 2,6-bis-(salicylaldehydehydrazone-4-chlorophenol (H5L and its binuclear lanthanide(III nitrate complexes {[Ln2(H4L3(NO3](NO32.mH2O} where Ln = La, Ce, Pr, Nd, Sm, Gd, Dy, Er, Yb and Y, have been synthesized. The complexes were characterized by chemical analysis, conductance, magnetic moment measurements and infrared spectra. Infrared study indicates that the ligand behaves both as neutral and ionic O donors and as neutral N donors.

Novel hydroquinone derivatives alleviate algesia, inflammation and ...

African Journals Online (AJOL)

The in silico studies predicted high binding affinity of the hydroquinone derivatives to the active site of the cyclooxygenase 2 (COX-2) enzyme. Conclusion: The synthesized hydroquinone compounds possess analgesic, antipyretic and antiinflammatory properties with low gastric-ulcerogenic potential. This may be credited to ...

Spectroscopic identification and anti-biofilm properties of polar metabolites from the medicinal plant Helichrysum italicum against Pseudomonas aeruginosa.

Science.gov (United States)

D'Abrosca, Brigida; Buommino, Elisabetta; D'Angelo, Grazia; Coretti, Lorena; Scognamiglio, Monica; Severino, Valeria; Pacifico, Severina; Donnarumma, Giovanna; Fiorentino, Antonio

2013-11-15

Two new acylated styrylpyrones, one 5-methoxy-1(3H)-isobenzofuranone glucoside and a hydroxymethyl-orcinol derivative, along with sixteen known aromatic metabolites, including lignans, quinic acid derivatives low-molecular weight phenol glucosides, have been isolated from the methanol extract of Helichrysum italicum, a medicinal plant typical of the Mediterranean vegetation. The structures of these compounds have been elucidated on the basis of extensive 2D-NMR spectroscopic analyses, including COSY, TOCSY, HSQC, CIGAR-HMBC, H2BC and HSQC-TOCSY, along with Q-TOF HRMS(2) analysis. Selected compounds were evaluated for their anti-biofilm properties against Pseudomonas aeruginosa. Copyright © 2013. Published by Elsevier Ltd.

Five new amicoumacins isolated from a marine-derived Bacterium bacillus subtilis

KAUST Repository

Li, Yongxin; Xu, Ying; Liu, Lingli; Han, Zhuang; Lai, Pok Yui; Guo, Xiangrong; Zhang, Xixiang; Lin, Wenhan; Qian, Pei-Yuan

2012-01-01

Four novel amicoumacins, namely lipoamicoumacins A-D (1-4), and one new bacilosarcin analog (5) were isolated from culture broth of a marine-derived bacterium Bacillus subtilis, together with six known amicoumacins. Their structures were elucidated on the basis of extensive spectroscopic (2D NNR, IR, CD and MS) analysis and in comparison with data in literature. 2012 by the authors; licensee MDPI.

Five new amicoumacins isolated from a marine-derived Bacterium bacillus subtilis

KAUST Repository

Li, Yongxin

2012-02-03

Four novel amicoumacins, namely lipoamicoumacins A-D (1-4), and one new bacilosarcin analog (5) were isolated from culture broth of a marine-derived bacterium Bacillus subtilis, together with six known amicoumacins. Their structures were elucidated on the basis of extensive spectroscopic (2D NNR, IR, CD and MS) analysis and in comparison with data in literature. 2012 by the authors; licensee MDPI.

Cross-Linking Mast Cell Specific Gangliosides Stimulates the Release of Newly Formed Lipid Mediators and Newly Synthesized Cytokines

Directory of Open Access Journals (Sweden)

Edismauro Garcia Freitas Filho

2016-01-01

Full Text Available Mast cells are immunoregulatory cells that participate in inflammatory processes. Cross-linking mast cell specific GD1b derived gangliosides by mAbAA4 results in partial activation of mast cells without the release of preformed mediators. The present study examines the release of newly formed and newly synthesized mediators following ganglioside cross-linking. Cross-linking the gangliosides with mAbAA4 released the newly formed lipid mediators, prostaglandins D2 and E2, without release of leukotrienes B4 and C4. The effect of cross-linking these gangliosides on the activation of enzymes in the arachidonate cascade was then investigated. Ganglioside cross-linking resulted in phosphorylation of cytosolic phospholipase A2 and increased expression of cyclooxygenase-2. Translocation of 5-lipoxygenase from the cytosol to the nucleus was not induced by ganglioside cross-linking. Cross-linking of GD1b derived gangliosides also resulted in the release of the newly synthesized mediators, interleukin-4, interleukin-6, and TNF-α. The effect of cross-linking the gangliosides on the MAP kinase pathway was then investigated. Cross-linking the gangliosides induced the phosphorylation of ERK1/2, JNK1/2, and p38 as well as activating both NFκB and NFAT in a Syk-dependent manner. Therefore, cross-linking the mast cell specific GD1b derived gangliosides results in the activation of signaling pathways that culminate with the release of newly formed and newly synthesized mediators.

Structural and physicochemical characterization of pyridine derivative salts of anti-inflammatory drugs

Science.gov (United States)

Nechipadappu, Sunil Kumar; Trivedi, Darshak R.

2017-08-01

Salts of common anti-inflammatory drugs mefenamic acid (MFA), tolfenamic acid (TFA) and naproxen (NPX) with various pyridine derivatives (4-amino pyridine (4AP), 4-dimethylaminopyridine (DMAP) and 2-amino pyridine (2AP)) were synthesized by crystal engineering approach based on the pKa values of API's and the salt former. All the salts were characterized systematically by various spectroscopic methods including FT-IR and 1H NMR and the crystal structure was determined by single-crystal X-ray diffraction techniques (SCXRD). DMAP salt of NPX and 2AP salts of MFA and TFA were not obtained in the salt screening experiments. All the molecular salts exhibited 1:1 molecular stoichiometry in the asymmetric unit and except NPX-2AP salt, all the molecular salts included a water molecule in the crystal lattice. Physicochemical and structural properties between drug-drug molecular salts of MFA-4AP, TFA-4AP and NPX-4AP have been evaluated and it was found that these molecular salts were found to be stable for a time period of six months at ambient condition and further hydration of molecular salts were not observed even at accelerated humid conditions (∼75% RH). It was found that 4AP salts of MFA and TFA and DMAP salts of MFA and TFA are isostructural.

Dehydroacetic Acid Derivatives Bearing Amide or Urea Moieties as Effective Anion Receptors.

Science.gov (United States)

Bregović, Nikola; Cindro, Nikola; Bertoša, Branimir; Barišić, Dajana; Frkanec, Leo; Užarević, Krunoslav; Tomišić, Vladislav

2017-08-01

Derivatives of dehydroacetic acid comprising amide or urea subunits have been synthesized and their anion-binding properties investigated. Among a series of halides and oxyanions, the studied compounds selectively bind acetate and dihydrogen phosphate in acetonitrile and dimethyl sulfoxide. The corresponding complexation processes were characterized by means of 1 H NMR titrations, which revealed a 1:1 complex stoichiometry in most cases, with the exception of dihydrogen phosphate, which formed 2:1 (anion/ligand) complexes in acetonitrile. The complex stability constants were determined and are discussed with respect to the structural properties of the receptors, the hydrogen-bond-forming potential of the anions, and the characteristics of the solvents used. Based on the spectroscopic data and results of Monte Carlo simulations, the amide or urea groups were affirmed as the primary binding sites in all cases. The results of the computational methods indicate that an array of both inter- and intramolecular hydrogen bonds can form in the studied systems, and these were shown to play an important role in defining the overall stability of the complexes. Solubility measurements were carried out in both solvents and the thermodynamics of transfer from acetonitrile to dimethyl sulfoxide were characterized on a quantitative level. This has afforded a detailed insight into the impact of the medium on the complexation reactions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectroscopic analysis of soil metal contamination around a derelict mine site in the Blue Mountains, Australia

Science.gov (United States)

Shamsoddini, A.; Raval, S.; Taplin, R.

2014-09-01

Abandoned mine sites pose the potential threat of the heavy metal pollution spread through streams and via runoff leading to contamination of soil and water in their surrounding areas. Regular monitoring of these areas is critical to minimise impacts on water resources, flora and fauna. Conventional ground based monitoring is expensive and sometimes impractical; spectroscopic methods have been emerged as a reliable alternative for this purpose. In this study, the capabilities of the spectroscopy method were examined for modelling soil contamination from around the abandoned silver-zinc mine located at Yerranderie, NSW Australia. The diagnostic characteristics of the original reflectance data were compared with models derived from first and second derivatives of the reflectance data. The results indicate that the models derived from the first derivative of the reflectance data estimate heavy metals significantly more accurately than model derived from the original reflectance. It was also found in this study that there is no need to use second derivative for modelling heavy metal soil contamination. Finally, the results indicate that estimates were of greater accuracy for arsenic and lead compared to other heavy metals, while the estimation for silver was found to be the most erroneous.

Syntheses and structures of three heterometallic coordination polymers derived from 4-pyridin-3-yl-benzoic acid

International Nuclear Information System (INIS)

Fang, Wei-Hui; Yang, Guo-Yu

2014-01-01

Three lanthanide–transition-metal coordination polymers, namely, [Er 2 L 6 (H 2 O)][Cu 2 I 2 ] (1), [ErL 3 ][CuI] (2), and [Dy 2 L 6 (BPDC) 0.5 (H 2 O) 4 ][Cu 3 I 2 ] (3) (HL=4-pyridin-3-yl-benzoic acid, H 2 BPDC=4,4′-biphenyldicarboxylic acid) have been made by reacting Ln 2 O 3 and CuI with HL at different temperatures under hydrothermal conditions. All the complexes are characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, powder X-ray diffraction, and single-crystal X-ray diffraction, respectively. 1–3 all construct from dimeric (Ln 2 ) and (Cu 2 ) units and exhibit two types of the structural features: 1 is a two-dimensional layer, 2–3 are three-dimensional frameworks. Interestingly, the in situ formation of the BPDC ligand is found in the structure of 3. The distinct architectures of these complexes indicated that the reaction temperature plays an important role in the formation of higher dimensional coordination polymers. - Graphical abstract: By hydrothermal reaction of lanthanide oxide, copper halide, and 4-pyridin-3-yl-benzoic ligand at different temperatures, a series of 1-D to 3-D 3d–4f coordination polymers, namely [ErL 3 (H 2 O) 2 ][CuI], [Er 2 L 6 (H 2 O)][Cu 2 I 2 ], [ErL 3 ][CuI], and [Dy 2 L 6 (BPDC) 0.5 (H 2 O) 4 ][Cu 3 I 2 ], have been made, respectively. - Highlights: • Three novel heterometallic coordination polymers derived from 4-pyridin-3-yl-benzoic acid have been hydrothermally synthesized. • Mixed dinuclear motifs of (Ln 2 ) and (Cu 2 ) serve as secondary building units to generate 2-D layer and 3-D frameworks. • It is proved that higher temperature is apt to permit construction of high dimensional architectures

Optimized Syntheses of Cyclopentadienyl Nickel Chloride Compounds Containing "N"-Heterocyclic Carbene Ligands for Short Laboratory Periods

Science.gov (United States)

Cooke, Jason; Lightbody, Owen C.

2011-01-01

Experiments are described for the preparation of imidazolium chloride precursors to "N"-heterocyclic carbenes and their cyclopentadienyl nickel chloride derivatives. The syntheses have been optimized for second- and third-year undergraduate laboratories that have a maximum programmed length of three hours per week. The experiments are flexible and…

Spectroscopic studies of O-type binaries. IV. HD 165052 and Hd 167771

International Nuclear Information System (INIS)

Morrison, N.D.; Conti, P.S.

1978-01-01

HD 165052, O6.5 V, and HD 167771, 07.5 III ((f)), are double-lined binaries with periods of six and four days, respectively, and velocity semiamplitudes near 100 km s -1 . In our spectroscopic orbital analysis, we investigated the effect of correcting the measured radial velocities for pair blending. The derived velocity amplitudes are increased by roughly 7%, and hence the minimum masses increase by 20%--255. The raw data lead to minimum masses, m sin 3 i, between 2 and 3 mD/sub sun/. Since normal O stars are thought to have masses greater than 20 m/sub sun/, the orbits must be highly inclined to the line of sight. From the luminosities and effective temperatures we derived stellar radii. For HD 167771, the requirement that neither component over fill it Roche lobe implies that each has a mass in the neighborhood of 30m/sub sun/ or larger

Doping effect on SILAR synthesized crystalline nanostructured Cu-doped ZnO thin films grown on indium tin oxide (ITO) coated glass substrates and its characterization

Science.gov (United States)

Dhaygude, H. D.; Shinde, S. K.; Velhal, Ninad B.; Takale, M. V.; Fulari, V. J.

2016-08-01

In the present study, a novel chemical route is used to synthesize the undoped and Cu-doped ZnO thin films in aqueous solution by successive ionic layer adsorption and reaction (SILAR) method. The synthesized thin films are characterized by x-ray diffractometer (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive x-ray analysis (EDAX), contact angle goniometer and UV-Vis spectroscopic techniques. XRD study shows that the prepared films are polycrystalline in nature with hexagonal crystal structure. The change in morphology for different doping is observed in the studies of FE-SEM. EDAX spectrum shows that the thin films consist of zinc, copper and oxygen elements. Contact angle goniometer is used to measure the contact angle between a liquid and a solid interface and after detection, the nature of the films is initiated from hydrophobic to hydrophilic. The optical band gap energy for direct allowed transition ranging between 1.60-2.91 eV is observed.

Optical, thermal and electrical properties of polybenzimidazoles derived from substituted benzimidazoles

Science.gov (United States)

Anand, Siddeswaran; Muthusamy, Athianna

2017-11-01

Three benzimidazole monomers synthesized by condensing various substituted phenolic aldehydes with 4-methylphenylenediamine were converted in to polymers by oxidative polycondensation. The structure of the monomers and polymers were confirmed by various spectroscopic techniques. Electronic distribution of molecular frontier orbitals and optimized geometries of monomers were calculated by Gaussian 09 package. The spectral results showed that the repeating units are connected through both Csbnd C and Csbnd Osbnd C linkages. Both polymers and monomers are showing good fluorescence emission in blue region. The electrical conductivity of I2 doped PBIs was measured using two point probe technique. The conductivities of PBIs were compared on the basis of the charge densities obtained from Huckel method on imidazole nitrogen which is involved in iodine coordination. The conductivity of polymers increases with increase in iodine vapour contact time. The dielectric properties of the synthesized polymers have been investigated at different temperature and frequency. Among the PBIs, PBIOP is having greater thermal stability and is shown by high carbines residues of around 50% at 500 °C in thermogravimetric analysis.

Antibacterial polyketides from the jellyfish-derived fungus Paecilomyces variotii.

Science.gov (United States)

Liu, Juan; Li, Famei; Kim, Eun La; Li, Jian Lin; Hong, Jongki; Bae, Kyung Sook; Chung, Hae Young; Kim, Hyung Sik; Jung, Jee H

2011-08-26

Four new polyketides (1-4) were isolated from the fungus Paecilomyces variotii, which was derived from the jellyfish Nemopilema nomurai. The planar structures and relative configurations of these polyketides were elucidated on the basis of spectroscopic analyses, including 2D NMR experiments. The compounds showed inhibitory activity against pathogenic bacteria including methicillin-resistant Staphylococcus aureus 3089 and multi-drug-resistant Vibrio parahemolyticus 7001 with MIC values in the range 5-40 μg/mL.

One Pot Synthesis, Photophysical and X-ray Studies of Novel Highly Fluorescent Isoquinoline Derivatives with Higher Antibacterial Efficacy Based on the In-vitro and Density Functional Theory.

Science.gov (United States)

Asiri, Abdullah M; Khan, Salman A; Al-Thaqafy, Saad H; Sharma, Kamlesh

2015-05-01

Series of cyano substituted isoquinoline dyes were synthesized by one-pot multicomponent reactions (MCRs) of aldehydes, malononitrile, 6-methoxy-1,2,3,4-tetrahydro-naphthalin-1-one and ammonium acetate. Results obtained from spectroscopic (FT-IR, (1)H-NMR, (13)C-NMR, EI-MS) and elemental analysis of synthesized compounds was in agreement with their chemical structures. Structure of the compound was further conformed by X-ray crystallographic. UV-vis and fluorescence spectroscopy measurements provided that all compounds are good absorbent and fluorescent. Fluorescence polarity study demonstrated that these compounds were sensitive to the polarity of the microenvironment provided by different solvents. In addition, spectroscopic and physicochemical parameters, including electronic absorption, extenction coefficient, Stokes shift, oscillator strength transition dipole moment and fluorescence quantum yield were investigated in order to explore the analytical potential of synthesized compounds. The anti-bacterial activity of these compounds were first studied in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria. The minimum inhibitory concentration was then determined with the reference of standard drug chloramphenicol. The results displayed that compound 3 was better inhibitors of both types of the bacteria (Gram-positive and Gram-negative) than chloramphenicol. Furthermore, quantum chemistry calculations using DFT/6-31-G* level of theory confirm the results. Dipole moment and frontier molecular orbitals were also investigated.

Synthesis, spectroscopic, structural and thermal characterizations of vanadyl(IV) adenine complex prospective as antidiabetic drug agent

Science.gov (United States)

El-Megharbel, Samy M.; Hamza, Reham Z.; Refat, Moamen S.

2015-01-01

The vanadyl(IV) adenine complex; [VO(Adn)2]ṡSO4; was synthesized and characterized. The molar conductivity of this complex was measured in DMSO solution that showed an electrolyte nature. Spectroscopic investigation of the green solid complex studied here indicate that the adenine acts as a bidentate ligand, coordinated to vanadyl(IV) ions through the nitrogen atoms N7 and nitrogen atom of amino group. Thus, from the results presented the vanadyl(IV) complex has square pyramid geometry. Further characterizations using thermal analyses and scanning electron techniques was useful. The aim of this paper was to introduce a new drug model for the diabetic complications by synthesized a novel mononuclear vanadyl(IV) adenine complex to mimic insulin action and reducing blood sugar level. The antidiabetic ability of this complex was investigated in STZ-induced diabetic mice. The results suggested that VO(IV)/adenine complex has antidiabetic activity, it improved the lipid profile, it improved liver and kidney functions, also it ameliorated insulin hormone and blood glucose levels. The vanadyl(IV) complex possesses an antioxidant activity and this was clear through studying SOD, CAT, MDA, GSH and methionine synthase. The current results support the therapeutic potentiality of vanadyl(IV)/adenine complex for the management and treatment of diabetes.

Ultrafast Spectroscopic Noninvasive Probe of Vertical Carrier Transport in Heterostructure Devices

Science.gov (United States)

2016-03-01

ARL-TR-7618 ● MAR 2016 US Army Research Laboratory Ultrafast Spectroscopic Noninvasive Probe of Vertical Carrier Transport in...US Army Research Laboratory Ultrafast Spectroscopic Noninvasive Probe of Vertical Carrier Transport in Heterostructure Devices by Blair C...Spectroscopic Noninvasive Probe of Vertical Carrier Transport in Heterostructure Devices 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT

Preparation and Characterization of Novel Cationic Chitosan Derivatives Bearing Quaternary Ammonium and Phosphonium Salts and Assessment of Their Antifungal Properties.

Science.gov (United States)

Tan, Wenqiang; Li, Qing; Dong, Fang; Chen, Qiuhong; Guo, Zhanyong

2017-08-31

Chitosan is an abundant and renewable polysaccharide, its derivatives exhibit attractive bioactivities and the wide applications in various biomedical fields. In this paper, two novel cationic chitosan derivatives modified with quaternary phosphonium salts were successfully synthesized via trimethylation, chloride acetylation, and quaternization with tricyclohexylphosphine and triphenylphosphine. The structures and properties of synthesized products in the reactions were characterized by FTIR spectroscopy, ¹H-NMR, 31 P-NMR, elemental and thermogravimetric analysis. The antifungal activities of chitosan derivatives against four kinds of phytopathogens, including Phomopsis asparagi , Watermelon fusarium , Colletotrichum lagenarium , and Fusarium oxysporum were tested using the radial growth assay in vitro. The results revealed that the synthesized cationic chitosan derivatives showed significantly improved antifungal efficiency compared to chitosan. It was reasonably suggested that quaternary phosphonium groups enabled the obviously stronger antifungal activity of the synthesized chitosans. Especially, the triphenylphosphonium-functionalized chitosan derivative inhibited the growth of Phomopsis asparagi most effectively, with inhibitory indices of about 80% at 0.5 mg/mL. Moreover, the data demonstrated that the substituted groups with stronger electron-withdrawing ability relatively possessed greater antifungal activity. The results suggest the possibility that cationic chitosan derivatives bearing quaternary phosphonium salts could be effectively employed as novel antifungal biomaterials for application in the field of agriculture.

The Panchromatic High-Resolution Spectroscopic Survey of Local Group Star Clusters. I. General data reduction procedures for the VLT/X-shooter UVB and VIS arm

NARCIS (Netherlands)

Schönebeck, Frederik; Puzia, Thomas H.; Pasquali, Anna; Grebel, Eva K.; Kissler-Patig, Markus; Kuntschner, Harald; Lyubenova, Mariya; Perina, Sibilla

2014-01-01

Aims: Our dataset contains spectroscopic observations of 29 globular clusters in the Magellanic Clouds and the Milky Way performed with VLT/X-shooter over eight full nights. To derive robust results instrument and pipeline systematics have to be well understood and properly modeled. We aim at a

Bimetallic NiFe2O4 synthesized via confined carburization in NiFe-MOFs for efficient oxygen evolution reaction

Science.gov (United States)

Fang, Zhiqiang; Hao, Zhaomin; Dong, Qingsong; Cui, Yong

2018-04-01

Transition metal oxides that derived from metal-organic framework (MOF) precursor have intensively received attention because of their numerous electrochemical applications. Bimetallic Ni-Fe oxides have been rarely reported on the basis of MOF-related strategy. Herein, a bimetallic NiFe2O4 was successfully synthesized via confined carburization in NiFe-MOF precursors and characterized by XRD, XPS, SEM, and TEM. After conducting an investigation of oxygen evolution reaction (OER), the as-synthesized NiFe2O4 material exhibited good catalytic efficiency and high stability and durability in alkaline media. The as-synthesized NiFe2O4 material would promote the development of MOFs in non-noble-metal OER catalyst.

Role of xanthophylls in light harvesting in green plants: a spectroscopic investigation of mutant LHCII and Lhcb pigment-protein complexes.

Science.gov (United States)

Fuciman, Marcel; Enriquez, Miriam M; Polívka, Tomáš; Dall'Osto, Luca; Bassi, Roberto; Frank, Harry A

2012-03-29

The spectroscopic properties and energy transfer dynamics of the protein-bound chlorophylls and xanthophylls in monomeric, major LHCII complexes, and minor Lhcb complexes from genetically altered Arabidopsis thaliana plants have been investigated using both steady-state and time-resolved absorption and fluorescence spectroscopic methods. The pigment-protein complexes that were studied contain Chl a, Chl b, and variable amounts of the xanthophylls, zeaxanthin (Z), violaxanthin (V), neoxanthin (N), and lutein (L). The complexes were derived from mutants of plants denoted npq1 (NVL), npq2lut2 (Z), aba4npq1lut2 (V), aba4npq1 (VL), npq1lut2 (NV), and npq2 (LZ). The data reveal specific singlet energy transfer routes and excited state spectra and dynamics that depend on the xanthophyll present in the complex.

PULSE SYNTHESIZING GENERATOR

Science.gov (United States)

Kerns, Q.A.

1963-08-01

>An electronlc circuit for synthesizing electrical current pulses having very fast rise times includes several sinewave generators tuned to progressively higher harmonic frequencies with signal amplitudes and phases selectable according to the Fourier series of the waveform that is to be synthesized. Phase control is provided by periodically triggering the generators at precisely controlled times. The outputs of the generators are combined in a coaxial transmission line. Any frequency-dependent delays that occur in the transmission line can be readily compensated for so that the desired signal wave shape is obtained at the output of the line. (AEC)

Synthesis, spectroscopic characterization and acoustic, volumetric, transport and thermal properties of hydroxyl ammonium based ionic liquids

International Nuclear Information System (INIS)

Losetty, Venkatramana; Chennuri, Bharath Kumar; Gardas, Ramesh L.

2016-01-01

Graphical abstract: Density, ρ (■) in kg · m"−"3, speed of sound, u (●) in m · s"−"1, dynamic viscosity, η (▴) in mPa · s, electrical conductivity, σ (♦) in S · cm"−"1of [BHEA][TFA] as the function of temperature and at 0.1 MPa pressure. - Highlights: • N-butyl-(N-hydroxyethyl) ammonium based protic ionic liquids (PILs) were synthesized. • Density, speed of sound, electrical conductivity and viscosity were measured for studied PILs. • Transport property data were fitted to Vogel–Tammann–Fulcher (VTF) equation. • FT-IR spectrum was helpful to explain the hydrogen bonding between ions. • Measured and derived properties were analyzed in terms of chemical structure of PILs. - Abstract: In the present work, solvent-free synthesis of two hydroxyethyl ammonium-based ionic liquids (ILs) at room temperature was carried out namely, N-butyl-(N-hydroxyethyl) ammonium trifluoroacetate ([BHEA][TFA]) and N-butyl-(N-hydroxyethyl) ammonium nitrate ([BHEA][NO_3]). The synthesized ionic liquids were characterized by various spectroscopic techniques such as "1H-NMR, "1"3C-NMR and FTIR. Furthermore, density (ρ), speed of sound (u), electrical conductivity (σ) and viscosity (η) have been measured within the temperature range from T = (303.15 to 343.15) K and at 0.1 MPa pressure. The measured density and viscosity values were fitted to the linear and Vogel–Tammann–Fulcher (VTF) equation, respectively. The temperature dependence conductivity of the measured ILs was fitted to a similar equation type of viscosity (VTF). Furthermore, the refractive index was measured at T = 303.15 K, in turn molar refraction (R_m) and free volume (f_V) were calculated using the Lorentz–Lorenz equation. The thermodynamic properties such as thermal expansion coefficient (α), isentropic compressibility (β_S) and intermolecular free length (L_f) were calculated by using the experimental values of density and speed of sound. The thermal decomposition temperature (T

[A new eremophilane derivative from Senecio dianthus].

Science.gov (United States)

Han, He-Dong; Hu, Hai-Qing; Li, Yan; Wang, Xiao-Ling

2013-10-01

A new eremophilane derivative, 4,5,11-trimethyl-9( 10), 7 ( 11) -eremophiladien-8-keto-12-carboxylic acid-beta-D-glucopyranoside( which named dianthuside A) 1 and four known compounds, 5,7,4'-trihydroxy-flavonone-3-0-beta-D-glucoside (2), quercetin-3-0-beta-D-glucoside(3) ,hyperin(4) and rutin(5) have been isolated from the aerial part of Senecio dianthus. Their structures were elucidated by physicochemical properties and spectroscopic data analysis. Compounds 2, 4 and 5 were isolated from this plant for the first time.

Synthesis, Antibacterial and Antifungal Activity of Some New Pyrazoline and Pyrazole Derivatives

Directory of Open Access Journals (Sweden)

Seham Y. Hassan

2013-02-01

Full Text Available A series of 2-pyrazolines 5–9 have been synthesized from α,β-unsaturated ketones 2–4. New 2-pyrazoline derivatives 13–15 bearing benzenesulfonamide moieties were then synthesized by condensing the appropriate chalcones 2–4 with 4-hydrazinyl benzenesulfonamide hydrochloride. Ethyl [1,2,4] triazolo[3,4-c][1,2,4]triazino[5,6-b]-5H-indole-5-ethanoate (26 and 1-(5H-[1,2,4]triazino[5,6-b] indol-3-yl-3-methyl-1H-pyrazol-5(4H-one (32 were synthesized from 3-hydrazinyl-5H-[1,2,4]triazino[5,6-b]indole (24. On the other hand ethyl[1,2,4]triazolo[3,4-c][1,2,4]triazino[5,6-b]-5,10-dihydroquinoxaline- 5-ethanoate (27 and 1-(5,10-dihydro-[1,2,4]triazino[5,6-b]quinoxalin-3-yl-3-methyl-1H-pyrazol-5(4H-one (33 were synthesized from 3-hydrazinyl-5,10-dihydro-[1,2,4]triazino[5,6-b]quinoxaline (25 by reaction with diethyl malonate or ethyl acetoacetate, respectively. Condensation of 6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde (1' with compound 24 or 25 afforded the corresponding Schiff's bases 36 and 37, respectively. Reaction of the Schiff's base 37 with benzoyl hydrazine or acetic anhydride afforded benzohydrazide derivative 39 and the cyclized compound 40, respectively. Furthermore, the pyrazole derivatives 42–44 were synthesized by cyclization of hydrazine derivative 25 with the prepared chalcones 2–4. All the newly synthesized compounds have been characterized on the basis of IR and 1H-NMR spectral data as well as physical data. Antimicrobial activity against the organisms E. coli ATCC8739 and P. aeruginosa ATCC 9027 as examples of Gram-negative bacteria, S. aureus ATCC 6583P as an example of Gram-positive bacteria and C. albicans ATCC 2091 as an example of a yeast-like fungus have been studied using the Nutrient Agar (NA and Sabouraud Dextrose Agar (SDA diffusion methods. The best performance was found for the compounds 16, 17, 19 and 20.

Electron spectroscopic imaging of antigens by reaction with boronated antibodies.

Science.gov (United States)

Qualmann, B; Kessels, M M; Klobasa, F; Jungblut, P W; Sierralta, W D

1996-07-01

Two small homogeneous markers for electron spectroscopic imaging (ESI) containing eight dodecaborane cages linked to a poly-alpha, epsilon-L-lysine dendrimer were synthesized; one of these was made water soluble by the attachment of a polyether. The markers were coupled to the sulfhydryl group of (monovalent) antibody fragments (Fab') by a homobifunctional cross-linker. While the coupling ratios of the poorly water-soluble compound did not exceed 20%, the polyether-containing variant reacted quantitatively. Its suitability for immunolabelling was tested in a study of the mechanism of the transcellular transport of an administered heterologous protein (bovine serum albumin, BSA) through ileal enterocytes of newborn piglets by endocytotic vesicles in comparison to conventional immunogold reagents. The post-embedding technique was employed. The boronated Fab' gave rise to considerably higher tagging frequencies than seen with immunogold, as could be expected from its form- and size-related physical advantages and the dense packing of BSA in the vesicles. The new probe, carrying the antigen-combining cleft at one end and the boron clusters at the opposite end of the oval-shaped conjugate, add to the potential of ESI-based immunocytochemistry.

UVB-emitting InAlGaN multiple quantum well synthesized using plasma-assisted molecular beam epitaxy

Directory of Open Access Journals (Sweden)

W. Kong

2017-03-01

Full Text Available A high Al-content (y > 0.4 multi-quantum-well (MQW structure with a quaternary InxAlyGa(1-x-yN active layer was synthesized using plasma-assisted molecular beam epitaxy. The MQW structure exhibits strong carrier confinement and room temperature ultraviolet-B (UVB photoluminescence an order of magnitude stronger than that of a reference InxAlyGa(1-x-yN thin film with comparable composition and thickness. The samples were characterized using spectroscopic ellipsometry, atomic force microscopy, and high-resolution X-ray diffraction. Numerical simulations suggest that the UVB emission efficiency is limited by dislocation-related non-radiative recombination centers in the MQW and at the MQW - buffer interface. Emission efficiency can be significantly improved by reducing the dislocation density from 109cm−2 to 107cm−2 and by optimizing the width and depth of the quantum wells.

High throughput assessment of cells and tissues: Bayesian classification of spectral metrics from infrared vibrational spectroscopic imaging data.

Science.gov (United States)

Bhargava, Rohit; Fernandez, Daniel C; Hewitt, Stephen M; Levin, Ira W

2006-07-01

Vibrational spectroscopy allows a visualization of tissue constituents based on intrinsic chemical composition and provides a potential route to obtaining diagnostic markers of diseases. Characterizations utilizing infrared vibrational spectroscopy, in particular, are conventionally low throughput in data acquisition, generally lacking in spatial resolution with the resulting data requiring intensive numerical computations to extract information. These factors impair the ability of infrared spectroscopic measurements to represent accurately the spatial heterogeneity in tissue, to incorporate robustly the diversity introduced by patient cohorts or preparative artifacts and to validate developed protocols in large population studies. In this manuscript, we demonstrate a combination of Fourier transform infrared (FTIR) spectroscopic imaging, tissue microarrays (TMAs) and fast numerical analysis as a paradigm for the rapid analysis, development and validation of high throughput spectroscopic characterization protocols. We provide an extended description of the data treatment algorithm and a discussion of various factors that may influence decision-making using this approach. Finally, a number of prostate tissue biopsies, arranged in an array modality, are employed to examine the efficacy of this approach in histologic recognition of epithelial cell polarization in patients displaying a variety of normal, malignant and hyperplastic conditions. An index of epithelial cell polarization, derived from a combined spectral and morphological analysis, is determined to be a potentially useful diagnostic marker.

Potential Biosignificant Interest and Surface Activity of Efficient Heterocyclic Derivatives.

Science.gov (United States)

El-Sayed, Refat; Althagafi, Ismail

2016-01-01

Some functionalized pyridine and fused system derivatives were synthesized using enaminonitrile derivative 5 as a starting material for the reaction, with various reagents under different conditions. Propoxylation of these compounds using different moles of propylene oxide (3, 5 and 7 moles) leads to a novel group of surface active agents. The antimicrobial and surface activities of the synthesized compounds were investigated. Most of the evaluated compounds proved to be active as antibacterial and antifungal agents and showed good surface activity, which makes them suitable for diverse applications such as the manufacturing of emulsifiers, cosmetics, drugs, pesticides, etc. Additionally, biodegradation testing exhibits significant breakdown within six to seven days, and hence, lowers the toxicity to human beings and becomes environmentally friendly.

Synthesis and Antibacterial Activity of New Spiro[thiadiazoline-(pyrazolo[3,4-d]pyrimidine] Derivatives

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Mohammed El Fal

2015-01-01

Full Text Available New heterocyclic compounds spiroderivatives of allopurinol of biological interest were prepared from allopurinol via thionation and 1,3-dipolar cycloaddition and were produced in high to excellent yields. These compounds were characterized on the basis of spectral and spectroscopic data (1H NMR, 13C, IR, and MS. The antibacterial activity of the synthesized products was studied using bacterial strains: Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, and Pseudomonas aeruginosa. Compounds having an ethyl group showed the best activity with MIC value of 31.25 µg/mL against Staphylococcus aureus and Streptococcus fasciens.

Spectroscopic analysis of Cepheid variables with 2D radiation-hydrodynamic simulations

Science.gov (United States)

Vasilyev, Valeriy

2018-06-01

The analysis of chemical enrichment history of dwarf galaxies allows to derive constraints on their formation and evolution. In this context, Cepheids play a very important role, as these periodically variable stars provide a means to obtain accurate distances. Besides, chemical composition of Cepheids can provide a strong constraint on the chemical evolution of the system. Standard spectroscopic analysis of Cepheids is based on using one-dimensional (1D) hydrostatic model atmospheres, with convection parametrised using the mixing-length theory. However, this quasi-static approach has theoretically not been validated. In my talk, I will discuss the validity of the quasi-static approximation in spectroscopy of short-periodic Cepheids. I will show the results obtained using a 2D time-dependent envelope model of a pulsating star computed with the radiation-hydrodynamics code CO5BOLD. I will then describe the impact of new models on the spectroscopic diagnostic of the effective temperature, surface gravity, microturbulent velocity, and metallicity. One of the interesting findings of my work is that 1D model atmospheres provide unbiased estimates of stellar parameters and abundances of Cepheid variables for certain phases of their pulsations. Convective inhomogeneities, however, also introduce biases. I will then discuss how these results can be used in a wider parameter space of pulsating stars and present an outlook for the future studies.

A new feruloyl amide derivative from the fruits of Tribulus terrestris.

Science.gov (United States)

Zhang, Xiaopo; Wei, Na; Huang, Jian; Tan, Yinfeng; Jin, Dejun

2012-01-01

A new feruloyl amide derivative, named tribulusamide C, was isolated from the fruits of Tribulus terrestris. Its structure was determined on the basis of spectroscopic analysis including IR, 1-D-, 2-D-NMR and HR-ESI-MS. The structure of tribulusamide C was characterised by a unit of pyrrolidine-2,5-dione, which distinguished it from other lignanamides previously isolated from the fruits of T. terrestris.

Epibatidine-derivatives: ligands for the neuronal nicotinic acetylcholine receptor

International Nuclear Information System (INIS)

Westera, G.; Patt, J.T.; Jankowski, K.; Bertrand, D.; Spang, J.; Schubiger, P.A.

1997-01-01

Epibatidine, isolated from the Ecuadorian frog Epipedobates tricolar, has been synthesized. 11 C-N-methyl derivate is investigated as useful nicotinergic receptor ligand by electrophysiological methods and in vivo mice experiments. (author) 2 figs., 7 refs

Synthetic Approaches and Biological Activities of 4-Hydroxycoumarin Derivatives

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Oee-Sook Park

2009-11-01

Full Text Available The main purpose of this review is to summarize recent chemical syntheses and structural modifications of 4-hydroxycoumarin and its derivatives, of interest due to their characteristic conjugated molecular architecture and biological activities.

Spectroscopic studies of copper enzymes

International Nuclear Information System (INIS)

Dooley, D.M.; Moog, R.; Zumft, W.; Koenig, S.H.; Scott, R.A.; Cote, C.E.; McGuirl, M.

1986-01-01

Several spectroscopic methods, including absorption, circular dichroism (CD), magnetic CD (MCD), X-ray absorption, resonance Raman, EPR, NMR, and quasi-elastic light-scattering spectroscopy, have been used to probe the structures of copper-containing amine oxidases, nitrite reductase, and nitrous oxide reductase. The basic goals are to determine the copper site structure, electronic properties, and to generate structure-reactivity correlations. Collectively, the results on the amine oxidases permit a detailed model for the Cu(II) sites in these enzymes to be constructed that, in turn, rationalizes the ligand-binding chemistry. Resonance Raman spectra of the phenylhydrazine and 2,4-dinitrophenyl-hydrazine derivatives of bovine plasma amine oxidase and models for its organic cofactor, e.g. pyridoxal, methoxatin, are most consistent with methoxatin being the intrinsic cofactor. The structure of the Cu(I) forms of the amine oxidases have been investigated by X-ray absorption spectroscopy (XAS); the copper coordination geometry is significantly different in the oxidized and reduced forms. Some anomalous properties of the amine oxidases in solution are explicable in terms of their reversible aggregation, which the authors have characterized via light scattering. Nitrite and nitrous oxide reductases display several novel spectral properties. The data suggest that new types of copper sites are present

Novel Water Soluble Chitosan Derivatives with 1,2,3-Triazolium and Their Free Radical-Scavenging Activity

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Qing Li

2018-03-01

Full Text Available Chitosan is an abundant and renewable polysaccharide, which exhibits attractive bioactivities and natural properties. Improvement such as chemical modification of chitosan is often performed for its potential of providing high bioactivity and good water solubility. A new class of chitosan derivatives possessing 1,2,3-triazolium charged units by associating “click reaction” with efficient 1,2,3-triazole quaternization were designed and synthesized. Their free radical-scavenging activity against three free radicals was tested. The inhibitory property and water solubility of the synthesized chitosan derivatives exhibited a remarkable improvement over chitosan. It is hypothesized that triazole or triazolium groups enable the synthesized chitosan to possess obviously better radical-scavenging activity. Moreover, the scavenging activity against superoxide radical of chitosan derivatives with triazolium (IC50 < 0.01 mg mL−1 was more efficient than that of derivatives with triazole and Vitamin C. In the 1,1-diphenyl-2-picrylhydrazyl (DPPH and hydroxyl radical-scavenging assay, the same pattern were observed, which should be related to the triazolium grafted at the periphery of molecular chains.

Potential radiosensitizing agents. 5. 2-Substituted benzimidazole derivatives

International Nuclear Information System (INIS)

Gupta, R.P.; Larroquette, C.A.; Agrawal, K.C.

1982-01-01

A series of 2-substituted benzimidazoles and their derivatives have been synthesized and tested for their ability to selectively sensitize hypoxic Chinese hamster cells (V-79) toward the lethal effect of ionizing radiation. These compounds were prepared by reacting the 2-substituted benzimidazoles with 1,2-epoxy-3-methoxypropane in the presence of potassium carbonate. Reaction of the 2-nitro and 2-methylfonyl analogue with the epoxide also yielded a cyclized material, which was confirmed to be a benzimidazo[2,1-b]oxazole. In an attempt to increase the electron affinity, 5- or 6-nitro-2-substituted-benzimidazoles were also synthesized and then reacted with the epoxide to yield the corresponding 1-substituted derivatives. The results of the biological tests for the radiosensitizing activity of these agents against Chinese hamster cells (V-79) in culture indicated that the 2-nitro-substituted analogues were the most effective sensitizers in this series

Novel Water Soluble Chitosan Derivatives with 1,2,3-Triazolium and Their Free Radical-Scavenging Activity.

Science.gov (United States)

Li, Qing; Sun, Xueqi; Gu, Guodong; Guo, Zhanyong

2018-03-28

Chitosan is an abundant and renewable polysaccharide, which exhibits attractive bioactivities and natural properties. Improvement such as chemical modification of chitosan is often performed for its potential of providing high bioactivity and good water solubility. A new class of chitosan derivatives possessing 1,2,3-triazolium charged units by associating "click reaction" with efficient 1,2,3-triazole quaternization were designed and synthesized. Their free radical-scavenging activity against three free radicals was tested. The inhibitory property and water solubility of the synthesized chitosan derivatives exhibited a remarkable improvement over chitosan. It is hypothesized that triazole or triazolium groups enable the synthesized chitosan to possess obviously better radical-scavenging activity. Moreover, the scavenging activity against superoxide radical of chitosan derivatives with triazolium (IC 50 radical-scavenging assay, the same pattern were observed, which should be related to the triazolium grafted at the periphery of molecular chains.

New Metabolites and Bioactive Chlorinated Benzophenone Derivatives Produced by a Marine-Derived Fungus Pestalotiopsis heterocornis

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Hui Lei

2017-03-01

Full Text Available Four new compounds, including two isocoumarins, pestaloisocoumarins A and B (1, 2, one sesquiterpenoid degradation, isopolisin B (4, and one furan derivative, pestalotiol A (5, together with one known isocoumarin, gamahorin (3, and three chlorinated benzophenone derivatives, pestalachloride B (6, pestalachloride E (7 and a mixture of pestalalactone atropisomers (8a/8b, were isolated from a culture of the fungus Pestalotiopsis heterocornis associated with sponge Phakellia fusca. These new chemical structures were established using NMR and MS spectroscopic data, as well as single-crystal X-ray crystallographic analysis and CD Cotton effects. All of the isolated compounds were evaluated for their antimicrobial and cytotoxic activities. Isocoumarins 1–3, showed antibacterial activities against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis with MIC values ranging from 25 to 100 μg/mL and weak antifungal activities. Chlorinated benzophenone derivatives 6–8 exhibited antibacterial activities against S. aureus and B. subtilis with MIC values ranging from 3.0 to 50 μg/mL and cytotoxicities against four human cancer cell lines with IC50 values of 6.8–87.8 μM.

Synthesis of octahedral like Cu-BTC derivatives derived from MOF calcined under different atmosphere for application in CO oxidation

Science.gov (United States)

Yang, Yiqiong; Dong, Han; Wang, Yin; He, Chi; Wang, Yuxin; Zhang, Xiaodong

2018-02-01

A series of octahedral structure Cu-BTC derivatives were successfully achieved through direct calcination of copper based metal organic framework Cu-BTC under different atmosphere (CO reaction gas, oxidizing gas O2, reducing gas H2, inert gas Ar). The Cu-BTC derivatives were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), laser Raman spectroscopy (LRS), N2 adsorption-desorption isotherm, element analysis, H2-temperature program reduction (H2-TPR) and X-ray photoelectron spectroscopic (XPS). It is found that Cu-BTC derivative derived from MOF calcined under reaction gas/O2 (Cu-BTC-CO/Cu-BTC-O) only retain Cu2O and CuO species. In addition, a weak Cu-BTC structure and Cu particles were observed on Cu-BTC derivative derived from MOF calcined under H2 (Cu-BTC-H). Obviously differently, Cu-BTC derivative derived from MOF calcined under Ar (Cu-BTC-Ar) still retains good MOF structure. The catalytic performance for CO oxidation over Cu-BTC derivatives was studied. It was found that Cu-BTC-CO showed a smaller specific surface area (8.0 m2/g), but presented an excellent catalytic performance, long-term stability and cycling stability with a complete CO conversion temperature (T100) of 140 °C, which was ascribed to the higher Cu2O/CuO ratio, good low temperature reduction behavior and a high quantity of surface active oxygen species.

Spectroscopic and imaging diagnostics of pulsed laser deposition laser plasmas

International Nuclear Information System (INIS)

Thareja, Raj K.

2002-01-01

An overview of laser spectroscopic techniques used in the diagnostics of laser ablated plumes used for thin film deposition is given. An emerging laser spectroscopic imaging technique for the laser ablation material processing is discussed. (author)

First Spectroscopic Confirmations of z ∼ 7.0 Ly α Emitting Galaxies in the LAGER Survey

Energy Technology Data Exchange (ETDEWEB)

Hu, Weida; Wang, Junxian; Kang, Wenyong; Kong, Xu; Yang, Huan [CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zheng, Zhen-Ya; Jiang, Chunyan [CAS Key Laboratory for Research in Galaxies and Cosmology, Shanghai Astronomical Observatory, Shanghai 200030 (China); Malhotra, Sangeeta; Rhoads, James; Gonzalez, Alicia; Tilvi, Vithal [School of Earth and Space Exploration, Arizona State University, Tempe, AZ 85287 (United States); Infante, Leopoldo [Las Campanas Observatory, Carnegie Institution for Science, Casilla 601, La Serena (Chile); Walker, Alistair R. [Cerro Tololo Inter-American Observatory, Casilla 603, La Serena (Chile); Jiang, Linhua [The Kavli Institute for Astronomy and Astrophysics, Peking University, Beijing 100871 (China); Hibon, Pascale [European Southern Observatory, Alonso de Cordova 3107, Casilla 19001, Santiago (Chile); Barrientos, L. Felipe; Galaz, Gaspar [Centro de Astroingeniería, Facultad de Física, Pontificia Universidad Católica de Chile, Santiago (Chile); Finkelstein, Steven [Department of Astronomy, The University of Texas at Austin, Austin, TX 78712 (United States); Zheng, XianZhong, E-mail: urverda@mail.ustc.edu.cn, E-mail: jxw@ustc.edu.cn, E-mail: zhengzy@shao.ac.cn, E-mail: Sangeeta.Malhotra@asu.edu, E-mail: James.Rhoads@asu.edu, E-mail: linfante@carnegiescience.edu [Purple Mountain Observatory, Chinese Academy of Sciences, Nanjing 210008 (China)

2017-08-20

Narrowband imaging is a highly successful approach for finding large numbers of high-redshift Ly α emitting galaxies (LAEs) up to z ∼ 6.6. However, at z ≳ 7 there are as of yet only three narrowband selected LAEs with spectroscopic confirmations (two at z ∼ 6.9–7.0, one at z ∼ 7.3), which hinders extensive studies on cosmic reionization and galaxy evolution at this key epoch. We have selected 23 candidate z ∼ 6.9 LAEs in COSMOS field with the large area narrowband survey Lyman-Alpha Galaxies at the End of Reionization (LAGER). In this work, we present spectroscopic follow-up observations of 12 candidates using the Inamori Magellan Areal Camera and Spectrograph on Magellan. For nine of these, the observations are sufficiently deep to detect the expected lines. Ly α emission lines are identified in six sources (yielding a success rate of 2/3), including three luminous LAEs with Ly α luminosities of L {sub Lyα} ∼ 10{sup 43.5} erg s{sup −1}, the highest among known spectroscopically confirmed galaxies at ≳7.0. This triples the sample size of spectroscopically confirmed narrowband selected LAEs at z ≳ 7, and confirms the bright-end bump in the Ly α luminosity function we previously derived based on the photometric sample, supporting a patchy reionization scenario. Two luminous LAEs appear physically linked with a projected distance of 1.1 pMpc and velocity difference of ∼170 km s{sup −1}. They likely sit in a common ionized bubble produced by themselves or with close neighbors, which reduces the intergalactic medium attenuation of Ly α . A tentative narrow N v λ 1240 line is seen in one source, hinting at activity of a central massive black hole with metal-rich line-emitting gas.

Some Heteroaromatic Organomercurials, Their Syntheses and Reactions: A Review of Our Research (1980-2000

Directory of Open Access Journals (Sweden)

Piotr Wroczynski

2001-11-01

Full Text Available This review reports some novel (or improved synthetic methods for preparing a number of aromatic (carbocyclic and predominantly heterocyclic organomercurials, particularly those derived from theophylline, theobromine and uracil, as well as some novel halo- and cyano-demercuration reactions. We have also synthesized the first stable organic derivative of mercury(I, viz. 1,8-bis(acetoxydimercurio theobromine, and studied its novel reactions. We have also improved the old Willgerodt method (1897, applicable for preparing various diaryliodonium chlorides from appropriate (dichloroiodoarenes and symmetric aromatic mercurials. A full list of our works, published over the past twenty years (1980-2000, is also provided (see Refs. 1-16.

Spectroscopic ellipsometry study of Cu2ZnSnSe4 bulk crystals

International Nuclear Information System (INIS)

León, M.; Lopez, N.; Merino, J. M.; Caballero, R.; Levcenko, S.; Gurieva, G.; Serna, R.; Bodnar, I. V.; Nateprov, A.; Guc, M.; Arushanov, E.; Schorr, S.; Perez-Rodriguez, A.

2014-01-01

Using spectroscopic ellipsometry we investigated and analyzed the pseudo-optical constants of Cu 2 ZnSnSe 4 bulk crystals, grown by the Bridgman method, over 0.8–4.5 eV photon energy range. The structures found in the spectra of the complex pseudodielectric functions were associated to E 0 , E 1A , and E 1B interband transitions and were analyzed in frame of the Adachi's model. The interband transition parameters such as strength, threshold energy, and broadening were evaluated by using the simulated annealing algorithm. In addition, the pseudo-complex refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity were derived over 0.8–4.5 eV photon energy range

Bioactive Phenylalanine Derivatives and Cytochalasins from the Soft Coral-Derived Fungus, Aspergillus elegans

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Xue-Ping Sun

2013-06-01

Full Text Available One new phenylalanine derivative 4′-OMe-asperphenamate (1, along with one known phenylalanine derivative (2 and two new cytochalasins, aspochalasin A1 (3 and cytochalasin Z24 (4, as well as eight known cytochalasin analogues (5–12 were isolated from the fermentation broth of Aspergillus elegans ZJ-2008010, a fungus obtained from a soft coral Sarcophyton sp. collected from the South China Sea. Their structures and the relative configurations were elucidated using comprehensive spectroscopic methods. The absolute configuration of 1 was determined by chemical synthesis and Marfey’s method. All isolated metabolites (1–12 were evaluated for their antifouling and antibacterial activities. Cytochalasins 5, 6, 8 and 9 showed strong antifouling activity against the larval settlement of the barnacle Balanus amphitrite, with the EC50 values ranging from 6.2 to 37 μM. This is the first report of antifouling activity for this class of metabolites. Additionally, 8 exhibited a broad spectrum of antibacterial activity, especially against four pathogenic bacteria Staphylococcus albus, S. aureus, Escherichia coli and Bacillus cereus.

Vibrational spectroscopic study of dehydroacetic acid and its cinnamoyl pyrone derivatives

Science.gov (United States)

Billes, Ferenc; Elečková, Lenka; Mikosch, Hans; Andruch, Vasil

2015-07-01

The infrared and Raman spectra of dehydroacetic acid and some of its derivatives were measured. The assignments of the vibrational bands were based on quantum chemical calculations and normal coordinate analysis. The optimized structures, atomic net charges and dipole moments of the investigated molecules were also results of our quantum chemical calculations. The analysis of the last properties made possible a deeper insight into the structure and substituent effect on the investigated molecules. One of them is presented in the graphical abstract.

Method development and validation of potent pyrimidine derivative by UV-VIS spectrophotometer.

Science.gov (United States)

Chaudhary, Anshu; Singh, Anoop; Verma, Prabhakar Kumar

2014-12-01

A rapid and sensitive ultraviolet-visible (UV-VIS) spectroscopic method was developed for the estimation of pyrimidine derivative 6-Bromo-3-(6-(2,6-dichlorophenyl)-2-(morpolinomethylamino) pyrimidine4-yl) -2H-chromen-2-one (BT10M) in bulk form. Pyrimidine derivative was monitored at 275 nm with UV detection, and there is no interference of diluents at 275 nm. The method was found to be linear in the range of 50 to 150 μg/ml. The accuracy and precision were determined and validated statistically. The method was validated as a guideline. The results showed that the proposed method is suitable for the accurate, precise, and rapid determination of pyrimidine derivative. Graphical Abstract Method development and validation of potent pyrimidine derivative by UV spectroscopy.

Improved Catalysis of Green-Synthesized Pd-Ag Alloy-Nanoparticles for Anodic Oxidation of Methanol in Alkali

International Nuclear Information System (INIS)

Roy Chowdhury, Sreya; Ghosh, Srabanti; Bhattachrya, Swapan Kumar

2017-01-01

Highlights: • Pd and Pd x Ag y nanoalloys are synthesised by simple green synthetic method without using any capping agent. • Increased electrochemical surface area and roughness factor in case of Pd x Ag y alloy generates enhanced catalytically active sites which help methanol oxidation reaction. • By analysing the products of MOR reaction by CV, FTIR and HPLC plausible mechanism of the reaction is proposed. • Among different compositions Pd 4 Ag and Pd are the best electrodes for oxidation of methanol and formate respectively in alkali. - Abstract: Monometallic Pd, Ag and bimetallic Pd x Ag y alloy nanoparticles were synthesized in a single pot using a green synthetic protocol in absence of any capping agent. X-ray, electron diffraction, microscopic and spectroscopic studies of synthesized material demonstrate the formation of nanoballs with radius of 10–20 nm of face centred cubic metals and alloys. The electrochemical studies of as-synthesized materials loaded on carbon support reveal that the Pd 4 Ag nanoparticles exhibit the best and synergistic electro-catalytic activity in reference to oxidation of methanol in alkali. The most active Pd 4 Ag nanoparticles show higher peak current (201 mA mg −1 ) in comparison to that (133 mA mg −1 ) of Pd in cyclic voltammetric study. The electrode shows the highest exchange current density (1.95 × 10 −2 mA mg −1 of Pd) for methanol oxidation reaction (MOR) and higher catalytic activity for oxidation of possible intermediates like formaldehyde and sodium formate of MOR. Ex-situ infrared spectrometry and chromatographic studies of reaction products reveal that Ag accelerates the formation of formate rather than carbonate elucidating the plausible mechanism of the reaction. These findings have important implications for further fine-tuning of the Pd nano alloys toward highly active and selective catalysts for alcohol fuel cells.

Syntheses of Novel 4-Substituted N-(5-amino-1H-1,2,4-triazol-3-ylpyridine-3-sulfonamide Derivatives with Potential Antifungal Activity

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Krzysztof Szafrański

2017-11-01

Full Text Available Candidiasis represent a serious threat for patients with altered immune responses. Therefore, we have undertaken the synthesis of compounds comprising a pyridine-3-sulfonamide scaffold and known antifungally active 1,2,4-triazole substituents. Thus a series of novel 4-substituted N-(5-amino-1H-1,2,4-triazol-3-ylpyridine-3-sulfonamides have been synthesized by multistep reactions starting from 4-chloropyridine-3-sulfonamide via N′-cyano-N-[(4-substitutedpyridin-3-ylsulfonyl]carbamimidothioates which were further converted with hydrazine hydrate to the corresponding 1,2,4-triazole derivatives 26–36. The final compounds were evaluated for antifungal activity against strains of the genera Candida, Geotrichum, Rhodotorula, and Saccharomycess isolated from patients with mycosis. Many of them show greater efficacy than fluconazole, mostly towards Candida albicans and Rhodotorula mucilaginosa species, with MIC values ≤ 25 µg/mL. A docking study of the most active compounds 26, 34 and 35 was performed showing the potential mode of binding to Candida albicans lanosterol 14α-demethylase. Also in vitro cytotoxicity of selected compounds have been evaluated on the NCI-60 cell line panel.

Obtaining the Electron Angular Momentum Coupling Spectroscopic Terms, jj

Science.gov (United States)

Orofino, Hugo; Faria, Roberto B.

2010-01-01

A systematic procedure is developed to obtain the electron angular momentum coupling (jj) spectroscopic terms, which is based on building microstates in which each individual electron is placed in a different m[subscript j] "orbital". This approach is similar to that used to obtain the spectroscopic terms under the Russell-Saunders (LS) coupling…

Langmuir-Blodgett Films of Graphene Derivatives

DEFF Research Database (Denmark)

Petersen, Søren Vermehren

The work presented in this PhD thesis can be divided into two main categories: 1) Syn-thesis and Langmuir-Blodgett assembly of graphene derivatives and 2) Application and characterization of graphene derivatives as an interface material in molecular electron-ics. While the first category could...... be divided further, the synthesis and Langmuir-Blodgett results are intertwined in such a way that it would be more confusing to pre-sent them separately. The Langmuir-Blodgett deposition also played a crucial, but more isolated, part in the investigation of graphene derivatives as interface material....... Solution processable graphene in the form of chemically derived graphene has been synthesized through the modified Hummers method with subsequent reduction into reduced graphene oxide with hydrazine. The completeness of oxidation, the effect of the refinement steps and the reduction of the graphene oxide...

Coumarin amide derivatives as fluorescence chemosensors for cyanide anions

Energy Technology Data Exchange (ETDEWEB)

Wu, Qianqian [School of Material Science and Engineering, Shandong Provincial Key Laboratory of Preparation and Measurement of Building Materials, University of Jinan, Jinan 250022, Shandong (China); Liu, Zhiqiang [State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, Shandong (China); Cao, Duxia, E-mail: duxiacao@ujn.edu.cn [School of Material Science and Engineering, Shandong Provincial Key Laboratory of Preparation and Measurement of Building Materials, University of Jinan, Jinan 250022, Shandong (China); Guan, Ruifang, E-mail: mse_guanrf@ujn.edu.cn [School of Material Science and Engineering, Shandong Provincial Key Laboratory of Preparation and Measurement of Building Materials, University of Jinan, Jinan 250022, Shandong (China); Wang, Kangnan; Shan, Yanyan; Xu, Yongxiao; Ma, Lin [School of Material Science and Engineering, Shandong Provincial Key Laboratory of Preparation and Measurement of Building Materials, University of Jinan, Jinan 250022, Shandong (China)

2015-07-01

Four coumarin amide derivatives with 4-methyl coumarin or pyrene as terminal group have been synthesized. Their photophysical properties and recognition properties for cyanide anions have been examined. The results indicate that the compounds can recognize cyanide anions with obvious absorption and fluorescence spectra change, at the same time, obvious color and fluorescence change can be observed by naked eye. The in situ hydrogen nuclear magnetic resonance spectra and photophysical properties change confirm that Michael additions between the chemosensors and cyanide anions take place at the 4-position of coumarin. - Highlights: • Four coumarin amide derivatives with 4-methyl coumarin or pyrene as terminal group were synthesized. • The compounds can recognize cyanide anions with obvious absorption and fluorescence spectra change. • Michael additions between the chemosensors and cyanide anions take place at the 4-position of coumarin.

Detection of peritoneal dissemination with near-infrared fluorescence laparoscopic imaging using a liposomal formulation of a synthesized indocyanine green liposomal derivative.

Science.gov (United States)

Hoshino, Isamu; Maruyama, Tetsuro; Fujito, Hiromichi; Tamura, Yutaka; Suganami, Akiko; Hayashi, Hideki; Toyota, Taro; Akutsu, Yasunori; Murakami, Kentaro; Isozaki, Yuka; Akanuma, Naoki; Takeshita, Nobuyoshi; Toyozumi, Takeshi; Komatsu, Aki; Matsubara, Hisahiro

2015-03-01

Although conventional staging laparoscopy (SL) has improved the diagnostic accuracy of peritoneal dissemination, novel technology is needed to increase the sensitivity of SL. We herein describe a new imaging method employing near-infrared (NIR) fluorescence imaging using a liposomal synthesized indocyanine green (ICG) liposomal derivative, LP-ICG-C18. LP-ICG-C18 is a NIR-photoactivating probe in which an ICG fluorophore is covalently conjugated with a phospholipid moiety. Nude mice were intraperitoneally injected with gastric cancer cells. Twelve days later, the mice were given intravenous injections of LP-ICG-C18 at a dose of 0.15 mg/kg. A NIR imaging system was used to identify the disseminated tumors. The disseminated nodules in mice were detected without any difficulties. Disseminated tumor nodules were collected from mice with or without injections of liposomal formulation and were transferred into the swine peritoneal cavity. The nodules in the swine peritoneal cavity were clearly and promptly defined by the NIR imaging system. NIR-fluorescing liposomal probes can effectively target peritoneal disseminated tumors and can be easily detected by a NIR imaging system. These results warrant future clinical trials of our imaging system and may contribute to a more precise diagnosis and therapeutic approach for gastric cancer patients. Copyright© 2015 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

Novel derivatives of 5,6-dimethoxy-1-indanone coupled with substituted pyridine as potential antimicrobial agents

OpenAIRE

Vimal M. Patel; Nilay D. Bhatt; Pralav V. Bhatt; Hasmukh D. Joshi

2018-01-01

Synthesis of novel derivatives of 5,6-dimethoxy-1-indanone was carried out via its Schiff’s base using 2-cyanoacetohydrazide followed by cyclization with 2-arylidenemalononitrile in the presence of a catalytical amount of piperidine to get 6-amino-1-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-ylideneamino)-2-oxo-4-aryl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives. The structures of the synthesized compounds were confirmed on the basis of their spectral and elemental analysis. The synthesized ...

Iterative estimation of the background in noisy spectroscopic data

International Nuclear Information System (INIS)

Zhu, M.H.; Liu, L.G.; Cheng, Y.S.; Dong, T.K.; You, Z.; Xu, A.A.

2009-01-01

In this paper, we present an iterative filtering method to estimate the background of noisy spectroscopic data. The proposed method avoids the calculation of the average full width at half maximum (FWHM) of the whole spectrum and the peak regions, and it can estimate the background efficiently, especially for spectroscopic data with the Compton continuum.

Spectroscopic databases - A tool for structure elucidation

Energy Technology Data Exchange (ETDEWEB)

Luksch, P [Fachinformationszentrum Karlsruhe, Gesellschaft fuer Wissenschaftlich-Technische Information mbH, Eggenstein-Leopoldshafen (Germany)

1990-05-01

Spectroscopic databases have developed to useful tools in the process of structure elucidation. Besides the conventional library searches, new intelligent programs have been added, that are able to predict structural features from measured spectra or to simulate for a given structure. The example of the C13NMR/IR database developed at BASF and available on STN is used to illustrate the present capabilities of online database. New developments in the field of spectrum simulation and methods for the prediction of complete structures from spectroscopic information are reviewed. (author). 10 refs, 5 figs.

A New Star-shaped Carbazole Derivative with Polyhedral Oligomeric Silsesquioxane Core: Crystal Structure and Unique Photoluminescence Property.

Science.gov (United States)

Xu, Zixuan; Yu, Tianzhi; Zhao, Yuling; Zhang, Hui; Zhao, Guoyun; Li, Jianfeng; Chai, Lanqin

2016-01-01

A new inorganic–organic hybrid material based on polyhedral oligomeric silsesquioxane (POSS) capped with carbazolyl substituents, octakis[3-(carbazol-9-yl)propyldimethylsiloxy]-silsesquioxane (POSS-8Cz), was successfully synthesized and characterized. The X-ray crystal structure of POSS-8Cz were described. The photophysical properties of POSS-8Cz were investigated by using UV–vis,photoluminescence spectroscopic analysis. The hybrid material exhibits blue emission in the solution and the solid film.The morphology and thermal stablity properties were measured by X-ray diffraction (XRD) and TG-DTA analysis.

Synthesis of a new class of aminocyclitol analogues with the conduramine D-2 configuration

Directory of Open Access Journals (Sweden)

Latif Kelebekli

2010-02-01

Full Text Available A new class of aminocyclitol derivatives with the bicyclo[4.2.0]octane skeleton was synthesized starting from cyclooctatetraene. Photooxygenation of trans-7,8-diacetoxy- and cis-7,8-dichlorobicyclo[4.2.0]octa-2,4-diene afforded the bicyclic endoperoxides. Reduction of the latter with thiourea followed by a Pd(0 catalyzed ionization/cyclization reaction gave the corresponding oxazolidinone derivatives. Oxidation of the double bond with KMnO4 or OsO4 followed by acetylation gave the acetate derivatives, the exact configuration of which was determined by spectroscopic methods. Hydrolysis of the oxazolidinone rings and removal of the acetate groups furnished the desired aminocyclitols.

Spectroscopic Parameters of Lumbar Intervertebral Disc Material

Science.gov (United States)

Terbetas, G.; Kozlovskaja, A.; Varanius, D.; Graziene, V.; Vaitkus, J.; Vaitkuviene, A.

2009-06-01

There are numerous methods of investigating intervertebral disc. Visualization methods are widely used in clinical practice. Histological, imunohistochemical and biochemical methods are more used in scientific research. We propose that a new spectroscopic investigation would be useful in determining intervertebral disc material, especially when no histological specimens are available. Purpose: to determine spectroscopic parameters of intervertebral disc material; to determine emission spectra common for all intervertebral discs; to create a background for further spectroscopic investigation where no histological specimen will be available. Material and Methods: 20 patients, 68 frozen sections of 20 μm thickness from operatively removed intervertebral disc hernia were excited by Nd:YAG microlaser STA-01-TH third harmonic 355 nm light throw 0, 1 mm fiber. Spectrophotometer OceanOptics USB2000 was used for spectra collection. Mathematical analysis of spectra was performed by ORIGIN multiple Gaussian peaks analysis. Results: In each specimen of disc hernia were found distinct maximal spectral peaks of 4 types supporting the histological evaluation of mixture content of the hernia. Fluorescence in the spectral regions 370-700 nm was detected in the disc hernias. The main spectral component was at 494 nm and the contribution of the components with the peak wavelength values at 388 nm, 412 nm and 435±5 nm were varying in the different groups of samples. In comparison to average spectrum of all cases, there are 4 groups of different spectral signatures in the region 400-500 nm in the patient groups, supporting a clinical data on different clinical features of the patients. Discussion and Conclusion: besides the classical open discectomy, new minimally invasive techniques of treating intervertebral disc emerge (PLDD). Intervertebral disc in these techniques is assessed by needle, no histological specimen is taken. Spectroscopic investigation via fiber optics through the

Spectroscopic amplifier for pin diode

International Nuclear Information System (INIS)

Alonso M, M. S.; Hernandez D, V. M.; Vega C, H. R.

2014-10-01

The photodiode remains the basic choice for the photo-detection and is widely used in optical communications, medical diagnostics and field of corpuscular radiation. In detecting radiation it has been used for monitoring radon and its progeny and inexpensive spectrometric systems. The development of a spectroscopic amplifier for Pin diode is presented which has the following characteristics: canceler Pole-Zero (P/Z) with a time constant of 8 μs; constant gain of 57, suitable for the acquisition system; 4th integrator Gaussian order to waveform change of exponential input to semi-Gaussian output and finally a stage of baseline restorer which prevents Dc signal contribution to the next stage. The operational amplifier used is the TLE2074 of BiFET technology of Texas Instruments with 10 MHz bandwidth, 25 V/μs of slew rate and a noise floor of 17 nv/(Hz)1/2. The integrated circuit has 4 operational amplifiers and in is contained the total of spectroscopic amplifier that is the goal of electronic design. The results show like the exponential input signal is converted to semi-Gaussian, modifying only the amplitude according to the specifications in the design. The total system is formed by the detector, which is the Pin diode, a sensitive preamplifier to the load, the spectroscopic amplifier that is what is presented and finally a pulse height analyzer (Mca) which is where the spectrum is shown. (Author)

Composites comprising biologically-synthesized nanomaterials

Science.gov (United States)

Curran, Seamus; Dias, Sampath; Blau, Werner; Wang, Jun; Oremland, Ronald S; Baesman, Shaun

2013-04-30

The present disclosure describes composite materials containing a polymer material and a nanoscale material dispersed in the polymer material. The nanoscale materials may be biologically synthesized, such as tellurium nanorods synthesized by Bacillus selenitireducens. Composite materials of the present disclosure may have optical limiting properties and find use in optical limiting devices.

Alkylation of Zwitterionic Thiooxalic Acid Derivatives

Directory of Open Access Journals (Sweden)

Manfred Michalik

2001-05-01

Full Text Available The new S-alkyl thiooxal-1-hydrazono-2-amidrazonium halides 2-4 were synthesized by reaction of the corresponding zwitterionic thiooxalic acid derivatives 1 with alkyl halides in methanol. The structures of compounds 4b and 4d were proven by X-ray structural analysis. Both compounds form an interesting intermolecular network of hydrogen bonds in the solid state.

Synthesis of the new derivatives of alkaloid glaucine

International Nuclear Information System (INIS)

Mukusheva, G.K.; Zhumagalieva, Zh.Zh.; Turmukhambetov, A.Zh.; Kazantsev, A.V.

2005-01-01

On the basis of aporphine alkaloid glaucine by reactions of halogenation, amino-methylation, acetylation and with esters of boronic acid new derivatives of glaucine were synthesized. The structures of obtained compounds were determined on basis of IR, 13 C, 1 H, 11 B NMR spectral data

Synthesis, antimicrobial and cytotoxicity studies of some novel modified Strobilurin derivatives

Energy Technology Data Exchange (ETDEWEB)

Sridhara, Ajjanna M.; Gopinath, Vadiraj S.; Bose, Prosenjit; Goud, Sanath Kumar [Advinus Therapeutics Pvt. Ltd., Bangalore (India); Reddy, Kallam R. Venugopala, E-mail: venurashmi30@rediffmail.co [Advinus Therapeutics Pvt. Ltd., Bangalore (India). Dept. of Studies in Industrial Chemistry; Keshavayya, Jathi [Advinus Therapeutics Pvt. Ltd., Bangalore (India). Dept. of Studies in Chemistry; Ambika, Dasannana Malige S. [Kuvempu University, Jnana Sahyadri, Karnataka (India). Dept. of Biochemistry; Peethambar, Sanenahalli K. [Kuvempu University, Jnana Sahyadri, Karnataka (India). Dept. of Plant Pathology

2011-07-01

A series of some new 3-isoxazoline substituted methyl-3-methoxy-2-(4-oxo-3,4- dihydrophthalazine-1-yl)prop-2-enoate derivatives were designed and synthesized from methyl- (4-oxo-3,4-dihydrophthalazine-1-yl)acetate, which in turn was prepared from phthalic anhydride. The structures of synthesized new compounds were characterized by spectral data and studied for their antimicrobial activities and cytotoxicity. Several of these compounds showed good antimicrobial activity (author)

Sulfonamide and carbamate derivatives of 6-chloropurine: synthesis, characterization and antimicrobial activity evaluation

Directory of Open Access Journals (Sweden)

K. Venkata Narayana

2016-07-01

Full Text Available A series of new sulfonamide derivatives, 9-(substitutedbenzenesulfonyl-6-chloro-9H-purines 7(a-e and carbamate derivatives, 6-chloro-purine-9-carboxylic acid substituted alkyl/arylester 9(a-d, have been synthesized through an intermediate, sodium salt of 6-chloro-9(H-purine (6 which was prepared by the treatment of 6-chloro-9(H-purine (4 with sodium hydride. Structures of the newly synthesized compounds were elucidated by IR, NMR ( 1H and 13C, mass spectra and elemental analysis. Antimicrobial activity against three bacterial strains and three fungal strains at two different concentrations, 100 and 200 µg/mL including MIC values was investigated. Bio-screening data disclosed that most of the sulfonamide derivatives, 7a, 7c and 7d, and one carbamate derivative 9a showed promising antimicrobial activity having MIC values in the range of 18.0-25.0 µg/mL.

Enhanced Electromagnetic and Chemical/Biological Sensing. Properties of Atomic Cluster-Derived Materials

National Research Council Canada - National Science Library

Schatz, George

2003-01-01

The Center for Atomic Clusters-derived Materials performed a broad range of research concerned with synthesizing, characterizing and utilizing atomic and molecular clusters, nanoparticles and nanomaterial...

Synthesis and Characterization of Biscoumarin and Benzopyrano Dicoumarin Derivatives

International Nuclear Information System (INIS)

Nik Khairunissa' Nik Abdullah Zawawi; Muhammad Taha; Norizan Ahmat; Nor Hadiani Ismail; Nik Khairunissa' Nik Abdullah Zawawi; Muhammad Taha; Norizan Ahmat; Nor Hadiani Ismail

2016-01-01

The wide-ranging biological activities of 4-hydroxycoumarin have stimulated considerable interest in this class of compounds, and various biscoumarin derivatives have been synthesized. Recently, a number of methods have been reported for the synthesis of biscoumarin by the reaction of 4-hydroxycoumarin and various aldehydes in the presence of catalysts. In the present study, a new series of biscoumarin and benzopyrano dicoumarin were synthesized and physically characterized by nuclear magnetic resonane ( 1 H and 13 C NMR), fourier transform infrared spectroscopy (FTIR), mass spectrometry (MS) and melting point. (author)

ON THE SPECTROSCOPIC CLASSES OF NOVAE IN M33

International Nuclear Information System (INIS)

Shafter, A. W.; Darnley, M. J.; Bode, M. F.; Ciardullo, R.

2012-01-01

We report the initial results from an ongoing multi-year spectroscopic survey of novae in M33. The survey resulted in the spectroscopic classification of six novae (M33N 2006-09a, 2007-09a, 2009-01a, 2010-10a, 2010-11a, and 2011-12a) and a determination of rates of decline (t 2 times) for four of them (2006-09a, 2007-09a, 2009-01a, and 2010-10a). When these data are combined with existing spectroscopic data for two additional M33 novae (2003-09a and 2008-02a), we find that five of the eight novae with available spectroscopic class appear to be members of either the He/N or Fe IIb (hybrid) classes, with only two clear members of the Fe II spectroscopic class. This initial finding is very different from what would be expected based on the results for M31 and the Galaxy where Fe II novae dominate, and the He/N and Fe IIb classes together make up only ∼20% of the total. It is plausible that the increased fraction of He/N and Fe IIb novae observed in M33 thus far may be the result of the younger stellar population that dominates this galaxy, which is expected to produce novae that harbor generally more massive white dwarfs than those typically associated with novae in M31 or the Milky Way.

Gamma irradiation effect on polymers derived of pyrrole synthesized by plasma

International Nuclear Information System (INIS)

Lopez G, O. G.

2013-01-01

This work studies the effect of gamma irradiation at doses of 50, 100, 200, 400 and 800 kGy on polymers obtained from pyrrole synthesized by plasma. The evolution of the structure was studied by Fourier transform infrared spectroscopy (Ftir) and X-ray photoelectron spectroscopy (XPS). The Ftir spectra show that poly pyrroles have N-H, C-H, C=O, triple and consecutive double bonds in their structure. The irradiated polymers show the same chemical groups in their structure without significant changes. Nevertheless, a more detailed analysis by XPS allows the identification of superficial chemical states, such as: C=CH-C, C=CC-C, C-NH-C, C-NC-C, etc., and shows that most of these states are present in all polymers but with different participation. One possible mechanism indicates that as the irradiation dose increases, dehydrogenation processes are performed increasing fragmentation, crosslinking and formation of multiple bonds. The fragmentation and thermal degradation were studied by thermogravimetric analysis, indicating that the loss of moisture and light compounds formed during gamma irradiation occurs in the firsts 100 grades C. The main degradation of all polymers occurs from 150 to 700 grades C, suggesting that the thermal stability is independent of the irradiation dose in the interval studied. Morphology was studied using scanning electron microscopy techniques. Before irradiation, the polymer presented a uniform and practically smooth surface, however, after gamma irradiation, the applied energy increased roughness and macro fragmentation. The roughness and functional groups on the surface reduced the contact angle with water as the irradiation dose increased. However, the polymers are hydrophilic, because for all doses that contact angle is smaller than 90 grades C. Electrical conductivity was calculated respect to temperature in the interval from 25 to 100 grades C. Conductivity increases with temperature and is slightly greater in the irradiated polymers

Synthesis and decreasing Aβ content evaluation of arctigenin-4-yl carbamate derivatives.

Science.gov (United States)

Xu, Xingyu; Li, Cong; Lei, Min; Zhu, Zhiyuan; Yan, Jianming; Shen, Xu; Hu, Lihong

2016-07-01

A series of arctigenin-4-yl carbamate derivatives were synthesized and evaluated for potency in reducing β-amyloid (Aβ) content in HEK293-APPswe cells. Most of the arctigenin-4-yl aralkyl or aryl carbamate derivatives showed improved potency in reducing Aβ content. Among the synthesized compounds, arctigenin-4-yl (3-chlorophenyl)carbamate (20) exhibited the strongest potency with 78.7% Aβ content reduction at 20μM. Furthermore, the effect of arctigenin-4-yl (4-chlorophenyl)carbamate (19) and arctigenin-4-yl (3-chlorophenyl)carbamate (20) on lowing Aβ content was better than arctigenin under the concentrations of 1, 10 and 20μM. Copyright © 2016 Elsevier Ltd. All rights reserved.

Spectroscopic studies of the transplutonium elements

International Nuclear Information System (INIS)

Carnall, W.T.; Conway, J.G.

1983-01-01

The challenging opportunity to develop insights into both atomic structure and the effects of bonding in compounds makes the study of actinide spectroscopy a particularly fruitful and exciting area of scientific endeavor. It is also the interpretation of f-element spectra that has stimulated the development of the most sophisticated theoretical modeling attempted for any elements in the periodic table. The unique nature of the spectra and the wealth of fine detail revealed make possible sensitive tests of both physical models and the results of Hartree-Fock type ab initio calculations. This paper focuses on the unique character of heavy actinide spectroscopy. It discusses how it differs from that of the lighter member of the series and what are the special properties that are manifested. Following the introduction, the paper covers the following: (1) the role of systematic studies and the relationships of heavy-actinide spectroscopy to ongoing spectroscopic investigations of the lighter members of the series; (2) atomic (free-ion) spectra which covers the present status of spectroscopic studies with transplutonium elements, and future needs and directions in atomic spectroscopy; (3) the spectra of actinide compounds which covers the present status and future directions of spectroscopic studies with compounds of the transplutonium elements; and other spectroscopies. 1 figure, 2 tables

Azadirachtin derivatives from seed kernels of Azadirachta excelsa.

Science.gov (United States)

Kanokmedhakul, Somdej; Kanokmedhakul, Kwanjai; Prajuabsuk, Thirada; Panichajakul, Sanha; Panyamee, Piyanan; Prabpai, Samran; Kongsaeree, Palangpon

2005-07-01

Three new azadirachtin derivatives, named azadirachtins O-Q (1-3), along with the known azadirachtin B (4), azadirachtin L (5), azadirachtin M (6) 11alpha-azadirachtin H (7), 11beta-azadirachtin H (8), and azadirachtol (9) were isolated from seed kernels of Azadirachta excelsa. Their structures were established by spectroscopic techniques, and the structure of 3 was confirmed by X-ray analysis. Compounds 1-7 and 9 exhibited toxicity to the diamondback moth (Plutella xylostella) with an LD50 of 0.75-1.92 microg/g body weight, in 92 h.

Synthesis of bromo phenyl piperidine derivatives and the study of their effects on neurotransmitters and strong compatibility with alpha amylase enzyme

International Nuclear Information System (INIS)

Rafiq, K.; Zarreen, T.

2016-01-01

In the last few decades several novel derivatives of piperidine have been synthesized for their CNS potentials and proved to be effective in the treatment of psychiatric and other CNS disorders. The present study is the demonstration of same phenomenon through which a new series of 4-(4-Bromophenyl)-4-hydroxypiperidine derivatives were synthesized via substitution at nitrogen and tested for aectylcholinestrase and butyrylcholinestrase activity by TLC bioautographic method and showed that among these synthesized moieties two were found to produce effects on these neurotransmitters. The synthesized compounds were also assessed further for their interaction with digestive enzymes (alpha-amylase) in vitro by plate method and all the compounds showed good interaction with amylase enzyme. (author)

New Eudesmane-Type Sesquiterpenoids from the Mangrove-Derived Endophytic Fungus Penicillium sp. J-54

OpenAIRE

Liuming Qiu; Pei Wang; Ge Liao; Yanbo Zeng; Caihong Cai; Fandong Kong; Zhikai Guo; Peter Proksch; Haofu Dai; Wenli Mei

2018-01-01

Four new eudesmane-type sesquiterpenoids, penicieudesmol A–D (1–4), were isolated from the fermentation broth of the mangrove-derived endophytic fungus Penicillium sp. J-54. Their structures were determined by spectroscopic methods, the in situ dimolybdenum CD method, and modified Mosher’s method. The bioassays results showed that 2 exhibited weak cytotoxicity against K-562 cells.

New Eudesmane-Type Sesquiterpenoids from the Mangrove-Derived Endophytic Fungus Penicillium sp. J-54.

Science.gov (United States)

Qiu, Liuming; Wang, Pei; Liao, Ge; Zeng, Yanbo; Cai, Caihong; Kong, Fandong; Guo, Zhikai; Proksch, Peter; Dai, Haofu; Mei, Wenli

2018-03-28

Four new eudesmane-type sesquiterpenoids, penicieudesmol A-D ( 1 - 4 ), were isolated from the fermentation broth of the mangrove-derived endophytic fungus Penicillium sp. J-54. Their structures were determined by spectroscopic methods, the in situ dimolybdenum CD method, and modified Mosher's method. The bioassays results showed that 2 exhibited weak cytotoxicity against K-562 cells.

Diterpenes Synthesized from the Natural Serrulatane Leubethanol and Their in Vitro Activities against Mycobacterium tuberculosis

Directory of Open Access Journals (Sweden)

Ricardo Escarcena

2015-04-01

Full Text Available Seventeen new derivatives of the natural diterpene leubethanol, including some potential pro-drugs, with changes in the functionality of the aliphatic chain or modifications of aromatic ring and the phenolic group, were synthesized and tested in vitro by the MABA technique for their activity against the H37Rv strain of Mycobacterium tuberculosis. Some compounds showed antimycobacterial selectivity indices higher than leubethanol.

Novel synthesis of a strained para-cyclophane derivative

Institute of Scientific and Technical Information of China (English)

Zhi Hao Shi; Yun Yang Wei

2007-01-01

A [P. Rajakumar, A.M.A. Rasheed, Tetrahedron 61(22) (2005) 5351] para-cyclophane derivative was synthesized via intramolecular esterification of a dipeptide surrogate containing asparagine to form tetrahydropyrimidinone ring. The structures of the product and intermediates were characterized by 1H NMR, 13C NMR and mass spectrum.

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

Directory of Open Access Journals (Sweden)

Nazudin

2012-08-01

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

Nuclear resonance vibrational spectroscopic studies of iron-containing biomolecules

International Nuclear Information System (INIS)

Ohta, Takehiro; Seto, Makoto

2014-01-01

In this review, we report recent nuclear resonance vibrational spectroscopic (NRVS) studies of iron-containing biomolecules and their model complexes. The NRVS is synchrotron-based element-specific vibrational spectroscopic methods. Unlike Raman and infrared spectroscopy, the NRVS can investigate all iron motions without selection rules, which provide atomic level insights into the structure/reactivity correlation of biologically relevant iron complexes. (author)

First line shape analysis and spectroscopic parameters for the ν11 band of 12C2H4

KAUST Repository

Es-sebbar, Et-touhami

2016-08-11

An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for (C2H4)-C-12 monitoring in such environments is located near the 336 gm window, through its v(11) C-H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of (C2H4)-C-12 v(11) band at 297 +/- 1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10(-4) cm(-1) resolution. Absorption measurements were performed in the 2975-2980 cm(-1) spectral window to investigate 32 lines corresponding to where, J\\'ka\\',kc\\'<- Jka,kc, 5 <= J <= 7; 0.5 <= K-a <= 6 and 1 <= K-c <= 14. Spectroscopic parameters are retrieved using either Voigt or appropriate Galatry profile to simulate the measured (C2H4)-C-12 line shape. Line intensities along with self-broadening coefficients are reported for all lines. Narrowing coefficients for each isolated line are also derived. To our knowledge, the current study reports the first extensive spectroscopic parameter measurements of the (C2H4)-C-12 v(11) band in the 2975-2980 cm(-1) range. (C) 2016 Elsevier Ltd. All rights reserved.

First line shape analysis and spectroscopic parameters for the ν11 band of 12C2H4

KAUST Repository

Es-sebbar, Et-touhami; Mantzaras, John; Benilan, Yves; Farooq, Aamir

2016-01-01

An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for (C2H4)-C-12 monitoring in such environments is located near the 336 gm window, through its v(11) C-H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of (C2H4)-C-12 v(11) band at 297 +/- 1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10(-4) cm(-1) resolution. Absorption measurements were performed in the 2975-2980 cm(-1) spectral window to investigate 32 lines corresponding to where, J'ka',kc'<- Jka,kc, 5 <= J <= 7; 0.5 <= K-a <= 6 and 1 <= K-c <= 14. Spectroscopic parameters are retrieved using either Voigt or appropriate Galatry profile to simulate the measured (C2H4)-C-12 line shape. Line intensities along with self-broadening coefficients are reported for all lines. Narrowing coefficients for each isolated line are also derived. To our knowledge, the current study reports the first extensive spectroscopic parameter measurements of the (C2H4)-C-12 v(11) band in the 2975-2980 cm(-1) range. (C) 2016 Elsevier Ltd. All rights reserved.

Penixanthones A and B, two new xanthone derivatives from fungus Penicillium sp. SYFz-1 derived of mangrove soil sample.

Science.gov (United States)

Tao, Huaming; Wei, Xiaoyi; Lin, Xiuping; Zhou, Xuefeng; Dong, Junde; Yang, Bin

2017-10-01

Two new xanthone derivatives, penixanthones A (1) and B (2), together with three known compounds, aspenicillide (3), 1,5-dihydroxy-3-methoxy-7-methyl-anthracene-9,10-dione (4) and 1,2-indandiol (5), were isolated from the ethyl acetate extract of a culture of the fungus Penicillium sp. SYFz-1, which was separated from a mangrove soil sample. The structures of these compounds were elucidated by spectroscopic methods including NMR and mass spectrometry. The absolute configurations of penixanthones A (1) and B (2) were determined on the basis of electronic circular dichroism (ECD) data analysis.

Investigation of the optical properties of MoS2 thin films using spectroscopic ellipsometry

International Nuclear Information System (INIS)

Yim, Chanyoung; O'Brien, Maria; Winters, Sinéad; McEvoy, Niall; Mirza, Inam; Lunney, James G.; Duesberg, Georg S.

2014-01-01

Spectroscopic ellipsometry (SE) characterization of layered transition metal dichalcogenide (TMD) thin films grown by vapor phase sulfurization is reported. By developing an optical dispersion model, the extinction coefficient and refractive index, as well as the thickness of molybdenum disulfide (MoS 2 ) films, were extracted. In addition, the optical band gap was obtained from SE and showed a clear dependence on the MoS 2 film thickness, with thinner films having a larger band gap energy. These results are consistent with theory and observations made on MoS 2 flakes prepared by exfoliation, showing the viability of vapor phase derived TMDs for optical applications

Design, synthesis of novel chitosan derivatives bearing quaternary phosphonium salts and evaluation of antifungal activity.

Science.gov (United States)

Tan, Wenqiang; Zhang, Jingjing; Luan, Fang; Wei, Lijie; Chen, Yuan; Dong, Fang; Li, Qing; Guo, Zhanyong

2017-09-01

Two novel chitosan derivatives modified with quaternary phosphonium salts were successfully synthesized, including tricyclohexylphosphonium acetyl chitosan chloride (TCPACSC) and triphenylphosphonium acetyl chitosan chloride (TPPACSC), and characterized by FTIR, 1 H NMR, and 13 C NMR spectra. The degree of substitution was also calculated by elemental analysis results. Their antifungal activities against Colletotrichum lagenarium, Watermelon fusarium, and Fusarium oxysporum were investigated in vitro using the radial growth assay, minimal inhibitory concentration, and minimum bactericidal concentration assay. The fungicidal assessment revealed that the synthesized chitosan derivatives had superior antifungal activity compared with chitosan. Especially, TPPACSC exhibited the best antifungal property with inhibitory indices of over 75% at 1.0mg/mL. The results obviously showed that quaternary phosphonium groups could effectively enhance antifungal activity of the synthesized chitosan derivatives. Meanwhile, it was also found that their antifungal activity was influenced by electron-withdrawing ability of the quaternary phosphonium salts. The synthetic strategy described here could be utilized for the development of chitosan as antifungal biomaterials. Copyright © 2017 Elsevier B.V. All rights reserved.

Synthesis, crystal structures, fluorescence and xanthine oxidase inhibitory activity of pyrazole-based 1,3,4-oxadiazole derivatives

Science.gov (United States)

Qi, De-Qiang; Yu, Chuan-Ming; You, Jin-Zong; Yang, Guang-Hui; Wang, Xue-Jie; Zhang, Yi-Ping

2015-11-01

A series of pyrazole-based 1,3,4-oxadiazole derivatives were rationally designed and synthesized in good yields by following a convenient route. All the newly synthesized molecules were fully characterized by IR, 1H NMR and elemental analysis. Eight compounds were structurally determined by single crystal X-ray diffraction analysis. The fluorescence properties of all the compounds were investigated in dimethyl sulfoxide media. In addition, these newly synthesized compounds were evaluated for in vitro inhibitory activity against commercial enzyme xanthine oxidase (XO) by measuring the formation of uric acid from xanthine. Among the compounds synthesized and tested, 3d and 3e were found to be moderate inhibitory activity against commercial XO with IC50 = 72.4 μM and 75.6 μM. The studies gave a new insight in further optimization of pyrazole-based 1,3,4-oxadiazole derivatives with excellent fluorescence properties and XO inhibitory activity.

Spectroscopic and TDDFT investigation on highly selective fluorogenic chemosensor and construction of molecular logic gates

Energy Technology Data Exchange (ETDEWEB)

Basheer, Sabeel M [Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015 (India); Kumar, Saravana Loganathan Ashok [Department of Chemistry, GRT Institute of Engineering Technology, Tiruttani (India); Kumar, Moorthy Saravana [Research and PG Department of Chemistry, Saraswathi Narayanan College, Madurai 625022 (India); Sreekanth, Anandaram, E-mail: sreekanth@nitt.edu [Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015 (India)

2017-03-01

1,5-Bis(2-fluorene)thiocarbohydrazone (FBTC) was designed and synthesized for selective sensing of fluoride and copper ions. The binding constants of FBTC towards fluoride and copper ions have been calculated using the Benesi-Hildebrand equation, and FBTC has more binding affinity towards copper ion than fluoride ion. The {sup 1}H NMR and {sup 13}C NMR titration studies strongly support the deprotonation was taken from the N–H protons followed by the formation of hydrogen bond via N–H{sup …}F. To understand the fluoride ion sensing mechanism, theoretical investigation had been carried out using the density functional theory and time-dependent density functional theory. The theoretical data well reproduced the experimental results. The deprotonation process has a moderate transition barrier (481.55 kcal/mol). The calculated ΔE and ΔG values (− 253.92 and − 192.41 kcal/mol respectively) suggest the feasibility of sensing process. The potential energy curves give the optimized structures of FBTC-F complex in the ground state and excited state, which states the proton transition occurs at the excited state. The excited state proton transition mechanism was further confirmed with natural bond orbital analysis. The reversibility of the sensor was monitored by the alternate addition of F{sup −} and Cu{sup 2+} ions, which was explained with “Read-Erase-Write-Read” behaviour. The multi-ion detection of sensor used to construct the molecular logic gate, such as AND, OR, NOR and INHIBITION logic gates. - Highlight: • Synthesis and characterised the thiosemicarbohydrazone derivative • Experimental evolution of selective fluoride and copper sensing via both colorimetric and spectroscopic studies • The proposed sensing mechanism of fluoride and copper ion were further confirmed with DFT and TD-DFT investigation • Receptor was turned as molecular switches and molecular logic gates.

Probing superconductors. Spectroscopic-imaging scanning tunneling microscopy

International Nuclear Information System (INIS)

Hanaguri, Tetsuo

2011-01-01

Discovery of high-temperature superconductivity in a cuprate triggered developments of various spectroscopic tools which have been utilized to elucidate electronic states of this mysterious compound. Particularly, angle-resolved photoemission spectroscopy and scanning-tunneling microscopy/spectroscopy are improved considerably. It is now possible to map the superconducting gap in both momentum and real spaces using these two techniques. Here we review spectroscopic-imaging scanning tunneling microscopy which is able to explore momentum-space phase structure of the superconducting gap, as well as real-space structure. Applications of this technique to a cuprate and an iron-based superconductor are discussed. (author)

The Gaia-ESO Survey: double-, triple-, and quadruple-line spectroscopic binary candidates

Science.gov (United States)

Merle, T.; Van Eck, S.; Jorissen, A.; Van der Swaelmen, M.; Masseron, T.; Zwitter, T.; Hatzidimitriou, D.; Klutsch, A.; Pourbaix, D.; Blomme, R.; Worley, C. C.; Sacco, G.; Lewis, J.; Abia, C.; Traven, G.; Sordo, R.; Bragaglia, A.; Smiljanic, R.; Pancino, E.; Damiani, F.; Hourihane, A.; Gilmore, G.; Randich, S.; Koposov, S.; Casey, A.; Morbidelli, L.; Franciosini, E.; Magrini, L.; Jofre, P.; Costado, M. T.; Jeffries, R. D.; Bergemann, M.; Lanzafame, A. C.; Bayo, A.; Carraro, G.; Flaccomio, E.; Monaco, L.; Zaggia, S.

2017-12-01

Context. The Gaia-ESO Survey (GES) is a large spectroscopic survey that provides a unique opportunity to study the distribution of spectroscopic multiple systems among different populations of the Galaxy. Aims: Our aim is to detect binarity/multiplicity for stars targeted by the GES from the analysis of the cross-correlation functions (CCFs) of the GES spectra with spectral templates. Methods: We developed a method based on the computation of the CCF successive derivatives to detect multiple peaks and determine their radial velocities, even when the peaks are strongly blended. The parameters of the detection of extrema (DOE) code have been optimized for each GES GIRAFFE and UVES setup to maximize detection. The DOE code therefore allows to automatically detect multiple line spectroscopic binaries (SBn, n ≥ 2). Results: We apply this method on the fourth GES internal data release and detect 354 SBn candidates (342 SB2, 11 SB3, and even one SB4), including only nine SBs known in the literature. This implies that about 98% of these SBn candidates are new because of their faint visual magnitude that can reach V = 19. Visual inspection of the SBn candidate spectra reveals that the most probable candidates have indeed a composite spectrum. Among the SB2 candidates, an orbital solution could be computed for two previously unknown binaries: CNAME 06404608+0949173 (known as V642 Mon) in NGC 2264 and CNAME 19013257-0027338 in Berkeley 81 (Be 81). A detailed analysis of the unique SB4 (four peaks in the CCF) reveals that CNAME 08414659-5303449 (HD 74438) in the open cluster IC 2391 is a physically bound stellar quadruple system. The SB candidates belonging to stellar clusters are reviewed in detail to discard false detections. We suggest that atmospheric parameters should not be used for these system components; SB-specific pipelines should be used instead. Conclusions: Our implementation of an automatic detection of spectroscopic binaries within the GES has allowed the

Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents.

Science.gov (United States)

Apfel, C; Banner, D W; Bur, D; Dietz, M; Hirata, T; Hubschwerlen, C; Locher, H; Page, M G; Pirson, W; Rossé, G; Specklin, J L

2000-06-15

Low-molecular-weight beta-sulfonyl- and beta-sulfinylhydroxamic acid derivatives have been synthesized and found to be potent inhibitors of Escherichia coli peptide deformylase (PDF). Most of the compounds synthesized and tested displayed antibacterial activities that cover several pathogens found in respiratory tract infections, including Chlamydia pneumoniae, Mycoplasma pneumoniae, Haemophilus influenzae, and Moraxella catarrhalis. The potential of these compounds as antibacterial agents is discussed with respect to selectivity, intracellular concentrations in bacteria, and potential for resistance development.

Labelling of penicillin-binding proteins from Escherichia coli with photoreactive derivatives of #betta#-lactam antibiotics

International Nuclear Information System (INIS)

Aran, V.; Rodriguez-Tebar, A.; Vazquez, D.

1983-01-01

The authors have synthesized a number of photoreactive radiolabelled #betta#-lactams that react and form permanent covalent bonds with the penicillin-binding proteins (PBPs), since photoreactive ligand derivatives have been used to some extent for structural studies on membranes and other biological structures. Chemical and photochemical labelling of a receptor by its ligand are important techniques to elucidate the nature of the ligand-receptor interaction, and for identification and characterization of receptors. They have synthesized two #betta#-lactam derivatives each containing two different photoreactive moieties. One of them is an aryl azido compound, widely known as a photoreactive reagent for labelling studies, whereas the other one contains a nitroguaiacol derived group used in photochemical studies with other biological materials. (Auth.)

Nigerapyrones A-H, α-pyrone derivatives from the marine mangrove-derived endophytic fungus Aspergillus niger MA-132.

Science.gov (United States)

Liu, Dong; Li, Xiao-Ming; Meng, Li; Li, Chun-Shun; Gao, Shu-Shan; Shang, Zhuo; Proksch, Peter; Huang, Cai-Guo; Wang, Bin-Gui

2011-08-26

Eight new α-pyrone derivatives, namely, nigerapyrones A-E (1-5) and nigerapyrones F-H (8-10), along with two known congeners, asnipyrones B (6) and A (7), were isolated from Aspergillus niger MA-132, an endophytic fungus obtained from the fresh tissue of the marine mangrove plant Avicennia marina. The structures of these compounds were elucidated on the basis of spectroscopic analysis. The undescribed geometries of the trisubstituted double bonds (C-9 and C-11) for asnipyrone B (6) have now been explicitly determined, while the incorrect placement of the methyl group at C-5 of asnipyrone A (7) has now been revised at C-3. The cytotoxic activities of the isolated α-pyrone derivatives against eight tumor cell lines as well as antimicrobial activities against two bacteria and four plant-pathogenic fungi of these compounds were evaluated. Compounds 2, 4, 5, and 7 showed weak cytotoxicity against some of the tested tumor cell lines.

Synthesis and Biological Activity of 3-[Phenyl(1,3-thiazol-2-yl-amino]propanoic Acids and Their Derivatives

Directory of Open Access Journals (Sweden)

Vytautas Mickevičius

2013-12-01

Full Text Available New N,N-disubstituted β-amino acids and their derivatives with thiazole, aromatic, and heterocyclic substituents were synthesized from N-phenyl-N-thiocarbamoyl-β-alanine by the Hantzsch method; derivatives with hydrazone fragments were also obtained. Some of the synthesized compounds exhibited discrete antimicrobial activity, and 3-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl(phenylamino]propanoic acid was found to promote rapeseed growth and to increase seed yield and oil content.

Synthesis, coordination and biological aspects of organotin(IV derivatives of 4-[(2,4-dinitrophenylamino]-4-oxo-2-butenoic acid and 2-{[(2,4-dinitrophenylamino]carbonyl}benzoic acid

Directory of Open Access Journals (Sweden)

KHADIJA SHAHID

2009-02-01

Full Text Available New series of organotin(IV complexes of aniline derivatives, R2SnL2 and R3SnL [where R = Me, n-Bu, Ph, n-Oct] have been synthesized by the reaction of HL1 and HL2 with respective organotin halides or oxides. Experimental details for the preparation and characterization (including elemental analysis, IR and multinuclear NMR (1H-, 13C- and 119Sn- spectra in CDCl3 and EI mass spectra of both series are provided. The binding sites of the ligands were identified by means of FTIR spectroscopic measurements. It was found that in all cases the organotin(IV moiety reacts with the oxygen of COO– group to form new complexes. In the diorganotin complexes, the COO– group is coordinated to the organotin(IV centres in a bidentate manner in the solid state. The 119Sn NMR data and the nJ(13C‑119/117Sn coupling constant support the tetrahedral coordination geometry of the organotin complexes in non-coordinating solvents. Biological activities (antibacterial, antifungal, cytotoxicity, antileishmanial and insecticidal of these compounds are also reported.

A green approach toward quinoxalines and bis-quinoxalines and their biological evaluation against A431, human skin cancer cell lines.

Science.gov (United States)

Bandyopadhyay, Debasish; Cruz, Jessica; Morales, Liza D; Arman, Hadi D; Cuate, Erica; Lee, Young S; Banik, Bimal K; Kim, Dae J

2013-08-01

The objective of this study was to develop a practical green procedure to synthesize quinoxalines and bis-quinoxalines and evaluate their inhibitory effects on the viability of A431 human epidermoid carcinoma cells. A series of quinoxaline and bis-quinoxaline derivatives have been designed and synthesized following a microwave-assisted and bismuth nitrate-catalyzed eco-friendly route. A detailed comparison has been made between microwave-induced protocol with the reactions occurred at room temperature. The structure of the compounds have been elucidated by various spectroscopic methods and finally confirmed by x-ray crystallographic analyses. Two quinoxaline derivatives, compounds 6 and 12 have demonstrated inhibitory effects on the viability of A431 human epidermoid carcinoma cells when compared with HaCaT nontumorigenic human keratinocyte cells. Notably, compound 6 inhibits Stat3 phosphorylation/activation in A431 skin cancer cells.

Evaluation of preservative effectiveness of gallic acid derivatives in aluminum hydroxide gel-USP

Directory of Open Access Journals (Sweden)

Anurag Khatkar

2013-01-01

Full Text Available Background: Preservatives are added to most of the pharmaceutical preparations to prevent them from deterioration throughout their shelf life. Literature reveals that the common synthetic preservatives have many limitations, such as development of microbial resistance (in due course of time and several serious side-effects. Aim: The aim of this study is to find out new preservatives synthesized from natural sources, which may have better efficiency than the existing synthetic preservatives. The derivatives of naturally occurring gallic acid were subjected for their preservative efficacy study. Their preservative efficiency was evaluated and compared with the standard parabens. Materials and Methods: The selected amide, anilide and ester derivatives of gallic acid were subjected to preservative efficacy testing in an official antacid preparation, {aluminum hydroxide gel-USP (United States Pharmacopoeia} against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Candida albicans, and Aspergillus niger as representative challenging microorganisms as per USP 2004 guidelines. Results: The selected derivatives were found to be effective against all selected strains and showed preservative efficacy comparable to that of standard and even better in case E. coli, C. albicans and A. niger. The 8-hydroxy quinoline ester derivative showed better preservative efficacy than standard as well as other derivatives. Conclusion: The newly synthesized gallic acid preservatives were found to be effective in the proposed pharmaceutical preparation (Aluminium Hydroxide Gel - USP. Also, the synthesized preservatives have shown comparative and even better efficacy than the existing parabens and hence they have potential for use in pharmaceutical preparations.

The VIMOS Ultra Deep Survey first data release: Spectra and spectroscopic redshifts of 698 objects up to zspec 6 in CANDELS

Science.gov (United States)

Tasca, L. A. M.; Le Fèvre, O.; Ribeiro, B.; Thomas, R.; Moreau, C.; Cassata, P.; Garilli, B.; Le Brun, V.; Lemaux, B. C.; Maccagni, D.; Pentericci, L.; Schaerer, D.; Vanzella, E.; Zamorani, G.; Zucca, E.; Amorin, R.; Bardelli, S.; Cassarà, L. P.; Castellano, M.; Cimatti, A.; Cucciati, O.; Durkalec, A.; Fontana, A.; Giavalisco, M.; Grazian, A.; Hathi, N. P.; Ilbert, O.; Paltani, S.; Pforr, J.; Scodeggio, M.; Sommariva, V.; Talia, M.; Tresse, L.; Vergani, D.; Capak, P.; Charlot, S.; Contini, T.; de la Torre, S.; Dunlop, J.; Fotopoulou, S.; Guaita, L.; Koekemoer, A.; López-Sanjuan, C.; Mellier, Y.; Salvato, M.; Scoville, N.; Taniguchi, Y.; Wang, P. W.

2017-04-01

This paper describes the first data release (DR1) of the VIMOS Ultra Deep Survey (VUDS). The VUDS-DR1 is the release of all low-resolution spectroscopic data obtained in 276.9 arcmin2 of the CANDELS-COSMOS and CANDELS-ECDFS survey areas, including accurate spectroscopic redshifts zspec and individual spectra obtained with VIMOS on the ESO-VLT. A total of 698 objects have a measured redshift, with 677 galaxies, two type-I AGN, and a small number of 19 contaminating stars. The targets of the spectroscopic survey are selected primarily on the basis of their photometric redshifts to ensure a broad population coverage. About 500 galaxies have zspec > 2, 48of which have zspec > 4; the highest reliable redshifts reach beyond zspec = 6. This data set approximately doubles the number of galaxies with spectroscopic redshifts at z > 3 in these fields. We discuss the general properties of the VUDS-DR1 sample in terms of the spectroscopic redshift distribution, the distribution of Lyman-α equivalent widths, and physical properties including stellar masses M⋆ and star formation rates derived from spectral energy distribution fitting with the knowledge of zspec. We highlight the properties of the most massive star-forming galaxies, noting the wide range in spectral properties, with Lyman-α in emission or in absorption, and in imaging properties with compact, multi-component, or pair morphologies. We present the catalogue database and data products. All VUDS-DR1 data are publicly available and can be retrieved from a dedicated query-based database. Future VUDS data releases will follow this VUDS-DR1 to give access to the spectra and associated measurement of 8000 objects in the full 1 square degree of the VUDS survey. Based on data obtained with the European Southern Observatory Very Large Telescope, Paranal, Chile, under Large Program 185.A-0791. http://cesam.lam.fr/vuds

Spectroscopic and electrochemical study of the polynuclear clusters of ruthenium acetate

International Nuclear Information System (INIS)

Cipriano, C.

1989-01-01

The chemistry of the trinuclear clusters (Ru 3 O (C H 3 CO 2 ) 4 L 3 ) where L = imidazole, pyridine or pyrazine type of ligands, was investigated based on spectroscopic and electrochemical techniques. These complexes are of great interest from the point of view of their electronic and redox properties, providing multi site species for electron transfer processes. They were isolated in solid state, and characterized by means of elementary analyses and infrared spectra. The electrochemical behaviour in acetonitrile solution was typically reversible; the cyclic voltamograms exhibited a series of four or five mono electronic waves ascribed to the successive Ru I V Ru I I I Ru I I I / Ru I I I Ru I I I Ru I I I / ... Ru I I Ru I I Ru I I redox couples. The differences between the successive redox potentials were about 1 V, indicating strong metal-metal interaction in the trinuclear Ru 3 O centre. The E values were strongly sensitive to the nature of the N-heterocyclic ligand, increasing with the pi-acceptor properties of the pyridine and pyrazine derivatives, but in a much less pronounced way in the case of the imidazole derivatives. (author)

New derivatives of alkaloids peganine, vazicinone and garmine

International Nuclear Information System (INIS)

Agedilova, M.T.; Turmukhambetov, A.Zh.; Kazantsev, A.V.; Shul'ts, E.E.

2005-01-01

It was studied the chemical modification of chinazolin alkaloids peganine and vasicinone and indolin alkaloid garmine. The corresponding halogen-, alkyl-, cetyl and hydrazone derivatives and its salts were obtained. The structure of synthesized compounds was definite by following spectral methods: IR, UV, 1 H, 13 C and 11 B NMR spectroscopy

Novel spectroscopic methods for determination of Cromolyn sodium and Oxymetazoline hydrochloride in binary mixture

Science.gov (United States)

Abdel-Aziz, Omar; El-Kosasy, A. M.; Magdy, N.; El Zahar, N. M.

2014-10-01

New accurate, sensitive and selective spectrophotometric and spectrofluorimetric methods were developed and subsequently validated for determination of Cromolyn sodium (CS) and Oxymetazoline HCl (OXY) in binary mixture. These methods include ‘H-point standard addition method (HPSAM) and area under the curve (AUC)' spectrophotometric method and first derivative synchronous fluorescence spectroscopic (FDSFS) method. For spectrophotometric methods, absorbances were recorded at 241.5 nm and 274.9 nm for HPSAM and the wavelength was selected in ranges 232.0-254.0 nm and 216.0-229.0 nm for AUC method, where the concentration was obtained by applying Cramer's rule. For FDSFS method, the first-derivative synchronous fluorescence signal was measured at 290.0 nm, using Δλ = 145.0 nm. The suggested methods were validated according to International Conference of Harmonization (ICH) guidelines and the results revealed that they were precise and reproducible. All the obtained results were statistically compared with those of the reported method and there was no significant difference.

Structural studies of 4-aminoantipyrine derivatives

Science.gov (United States)

Cunha, Silvio; Oliveira, Shana M.; Rodrigues, Manoel T.; Bastos, Rodrigo M.; Ferrari, Jailton; de Oliveira, Cecília M. A.; Kato, Lucília; Napolitano, Hamilton B.; Vencato, Ivo; Lariucci, Carlito

2005-10-01

Reaction of 4-aminoantipyrine with acetylacetone, ethyl acetoacetate, benzoyl isothiocyanate, phenyl isothiocyanate, maleic anhydride and methoxymethylene Meldrum's acid afforded a series of new antipyrine derivatives. The antibacterial activity of the synthesized compounds against Micrococcus luteus ATCC 9341, Staphilococcus aureus ATCC 29737, and Escherichia coli ATCC 8739 was evaluated and the minimal inhibitory concentration determined. Modest activity was found only to the maleamic acid obtained from the reaction of 4-aminoantipyrine and maleic anhydride. 1H NMR investigation of this maleamic acid showed that it is slowly converted to the corresponding toxic maleimide. The structures of three derivatives were determined by X-ray diffraction analysis.

Synthesis, characterization and nano-structuration of poly-thiophene derivatives for organic photovoltaic solar cells; Synthese, caracterisation et nanostructuration de derives du polythiophene pour des applications en cellules photovoltaiques organiques

Energy Technology Data Exchange (ETDEWEB)

Berson, S

2007-10-15

This work is devoted to the synthesis of poly-thiophene derivatives with low bandgap and preserving high oxidation potential. Disubstituted thiophenes and 'Donor-Acceptor' bi-thiophenes were synthesized and then polymerized. The side chains of these polymers, donor or acceptor, were modified in order to tune the properties of material as well from the optical point of view as electrochemical. These polymers were also tested in blend with PCBM in bulk-heterojunction photovoltaic cells. Voc delivered by the devices showed a linear dependence according to the potential of oxidation of the polymers. Copolymers containing cyano-thiophene and alkyl- or alkoxy-thiophene showed values of 0.8 V. However, in spite of power conversion efficiency of 1 %, these performances remain lower than the one obtained with the P3HT. Optimizations in terms of morphology are certainly necessary. Indeed, the morphology of the active layer plays a key role in obtaining high power conversion efficiency. An original technique of nano-structuration of the polymer on a nano-metric scale was developed during this work, leading to the development of fibrillar P3HT. These nano-structures, presenting an important degree of order, are formed spontaneously in solution. Their rate compared to amorphous material is perfectly controllable and adjustable in solution and in solid state. Measurements of mobilities show a strong improvement of the transport of load within these fibrillar layers compared to a traditional film of P3HT obtained without annealing. Power conversion efficiencies of 3.6% on glass and 3.3 % on plastic were reached without annealing. (author)

Spectroscopic and electrical sensing mechanism in oxidant-mediated polypyrrole nanofibers/nanoparticles for ammonia gas

International Nuclear Information System (INIS)

Ishpal; Kaur, Amarjeet

2013-01-01

Ammonia gas sensing mechanism in oxidant-mediated polypyrrole (PPy) nanofibers/nanoparticles has been studied through spectroscopic and electrical investigations. PPy nanofibers/nanoparticles have been synthesized by chemical oxidation method in the presence of various oxidizing agents such as ammonium persulfate (APS), potassium persulfate (PPS), vanadium pentoxide (V 2 O 5 ), and iron chloride (FeCl 3 ). Scanning electron microscopy study revealed that PPy nanofibers of about 63, 71 and 79 nm diameters were formed in the presence of APS, PPS, V 2 O 5 , respectively, while PPy nanoparticles of about 100–110 nm size were obtained in the presence of FeCl 3 as an oxidant. The structural investigations and confirmation of synthesis of PPy were established through Fourier transform infrared and Raman spectroscopy. The gas sensing behavior of the prepared PPy samples is investigated by measuring the electrical resistance in ammonia environment. The observed gas sensing response (ΔR/Rx100) at 100 ppm level of ammonia is ∼4.5 and 18 % for the samples prepared with oxidizing agents FeCl 3 and APS, respectively, and by changing the ammonia level from 50 to 300 ppm, the sensing response varies from ∼4.5 to 11 % and ∼10 to 39 %, respectively. Out of all four samples, the PPy nanofibers prepared in the presence of APS have shown the best sensing response. The mechanism of gas sensing response of the PPy samples has been investigated through Raman spectroscopy study. The decrease of charge carrier concentration through reduction of polymeric chains has been recognized through Raman spectroscopic measurements recorded in ammonia environment.

Diethylenetriaminepentaacetic acid-gadolinium (DTPA-Gd)-conjugated polysuccinimide derivatives as magnetic resonance imaging contrast agents.

Science.gov (United States)

Lee, Ha Young; Jee, Hye Won; Seo, Sung Mi; Kwak, Byung Kook; Khang, Gilson; Cho, Sun Hang

2006-01-01

Biocompatible polysuccinimide (PSI) derivatives conjugated with diethylenetriaminepentaacetic acid gadolinium (DTPA-Gd) were prepared as magnetic resonance imaging (MRI) contrast agents. In this study, we synthesized PSI derivatives incorporating methoxy-poly(ethylene glycol) (mPEG) as hydrophilic ligand, hexadecylamine as hydrophobic ligand, and DTPA-Gd as contrast agent. PSI was synthesized by the polycondensation polymerization of aspartic acid. All the synthesized materials were characterized by proton nuclear magnetic resonance (1H NMR). Critical micellization concentrations were determined using fluorescent probes (pyrene). Micelle size and shape were measured by electro-photometer light scattering (ELS) and atomic force microscopy (AFM). The formed micelle size ranged from 100 to 300 nm. The T1-weighted MR images of the phantom prepared with PSI-mPEG-C16-(DTPA-Gd) were obtained in a 3.0 T clinical MR imager, and the conjugates showed a great potential as MRI contrast agents.

Passive Spectroscopic Diagnostics for Magnetically-confined Fusion Plasmas

International Nuclear Information System (INIS)

Stratton, B.C.; Bitter, M.; Hill, K.W.; Hillis, D.L.; Hogan, J.T.

2007-01-01

Spectroscopy of radiation emitted by impurities and hydrogen isotopes plays an important role in the study of magnetically-confined fusion plasmas, both in determining the effects of impurities on plasma behavior and in measurements of plasma parameters such as electron and ion temperatures and densities, particle transport, and particle influx rates. This paper reviews spectroscopic diagnostics of plasma radiation that are excited by collisional processes in the plasma, which are termed 'passive' spectroscopic diagnostics to distinguish them from 'active' spectroscopic diagnostics involving injected particle and laser beams. A brief overview of the ionization balance in hot plasmas and the relevant line and continuum radiation excitation mechanisms is given. Instrumentation in the soft X-ray, vacuum ultraviolet, ultraviolet, visible, and near-infrared regions of the spectrum is described and examples of measurements are given. Paths for further development of these measurements and issues for their implementation in a burning plasma environment are discussed.

Passive Spectroscopic Diagnostics for Magnetically-confined Fusion Plasmas

Energy Technology Data Exchange (ETDEWEB)

Stratton, B. C.; Biter, M.; Hill, K. W.; Hillis, D. L.; Hogan, J. T.

2007-07-18

Spectroscopy of radiation emitted by impurities and hydrogen isotopes plays an important role in the study of magnetically-confined fusion plasmas, both in determining the effects of impurities on plasma behavior and in measurements of plasma parameters such as electron and ion temperatures and densities, particle transport, and particle influx rates. This paper reviews spectroscopic diagnostics of plasma radiation that are excited by collisional processes in the plasma, which are termed 'passive' spectroscopic diagnostics to distinguish them from 'active' spectroscopic diagnostics involving injected particle and laser beams. A brief overview of the ionization balance in hot plasmas and the relevant line and continuum radiation excitation mechanisms is given. Instrumentation in the soft X-ray, vacuum ultraviolet, ultraviolet, visible, and near-infrared regions of the spectrum is described and examples of measurements are given. Paths for further development of these measurements and issues for their implementation in a burning plasma environment are discussed.

THE BARYON OSCILLATION SPECTROSCOPIC SURVEY OF SDSS-III

International Nuclear Information System (INIS)

Dawson, Kyle S.; Ahn, Christopher P.; Bolton, Adam S.; Schlegel, David J.; Bailey, Stephen; Anderson, Scott F.; Bhardwaj, Vaishali; Aubourg, Éric; Bautista, Julian E.; Barkhouser, Robert H.; Beifiori, Alessandra; Berlind, Andreas A.; Bizyaev, Dmitry; Brewington, Howard; Blake, Cullen H.; Blanton, Michael R.; Blomqvist, Michael; Borde, Arnaud; Bovy, Jo; Brandt, W. N.

2013-01-01

The Baryon Oscillation Spectroscopic Survey (BOSS) is designed to measure the scale of baryon acoustic oscillations (BAO) in the clustering of matter over a larger volume than the combined efforts of all previous spectroscopic surveys of large-scale structure. BOSS uses 1.5 million luminous galaxies as faint as i = 19.9 over 10,000 deg 2 to measure BAO to redshifts z A to an accuracy of 1.0% at redshifts z = 0.3 and z = 0.57 and measurements of H(z) to 1.8% and 1.7% at the same redshifts. Forecasts for Lyα forest constraints predict a measurement of an overall dilation factor that scales the highly degenerate D A (z) and H –1 (z) parameters to an accuracy of 1.9% at z ∼ 2.5 when the survey is complete. Here, we provide an overview of the selection of spectroscopic targets, planning of observations, and analysis of data and data quality of BOSS.

Synthesis of selected 5-thio-substituted tetrazole derivatives and evaluation of their antibacterial and antifungal activities

Directory of Open Access Journals (Sweden)

NALILU SUCHETHA KUMARI

2011-02-01

Full Text Available Several 5-thio-substituted tetrazole derivatives were efficiently synthesized by a three-step process. The substituted tetrazol-5-thiol, namely, 1-benzyl-1H-tetrazole-5-thiol (2 was prepared by refluxing commercially available benzyl isothiocyanate (1 with sodium azide in water. The second step was the synthesis of 1-benzyl-5-[(3-bromopropylthio]-1H-tetrazole (3 by thioalkylation of tetrazole-5-thiol 2 with 1,3-dibromopropane in tetrahydrofuran. Finally, the 5-thio-substituted tetrazole derivatives 4a–i were prepared by condensation of 3 with the corresponding amine or thiol. The structures of the newly synthesized compounds were characterized by NMR, LC/MS/MS, IR spectral data and elemental analysis. All the synthesized compounds were screened for their antibacterial and antifungal activities.

On the one pot syntheses of chromeno[4,3-b]pyridine-3-carboxylate and chromeno[3,4-c]pyridine-3-carboxylate and dihydropyridines

Energy Technology Data Exchange (ETDEWEB)

Navarrete-Encina, Patricio A.; Vega-Retter, Christian, E-mail: pnavarre@vtr.ne [Universidad de Chile, Santiago (Chile). Facultad de Ciencias Quimicas y Farmaceuticas. Lab. de Sintesis Organica y Fisicoquimica; Salazar, Ricardo; Perez, Karina; Squella, Juan A.; Nunez-Vergara, Luis J. [Universidad de Chile, Santiago (Chile). Fac. de Ciencias Quimicas y Farmaceuticas. Lab. de Bioelectroquimica

2010-07-01

Substituted chromenos, dihydropyridines and pyridines have been important in the syntheses of compounds having interesting pharmacological properties. Therefore, we found of interest to synthesize chromenopyridines and chromeno dihydropyridines (i.e., fused chromeno and dihydropyridine or pyridine rings) to further study their biological activity. Here, we propose one-pot syntheses for substituted ethyl-2,4-dimethyl-5-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylates, ethyl-2,4-dimethyl-5-oxo-5H-chromeno[3,4-c]pyridine-3-carboxylates and their respective 1,4-dihydropyridines based on a modified Hantzsch pyridine synthesis using 2-hydroxyaryl aldehydes, with electron withdrawing and electron donating groups on the phenyl ring, as starting reactants. Sixteen compounds were synthesized by the described method and fully characterized. An average yield of 37% was obtained for the different derivatives. (author)

On the one pot syntheses of chromeno[4,3-b]pyridine-3-carboxylate and chromeno[3,4-c]pyridine-3-carboxylate and dihydropyridines

International Nuclear Information System (INIS)

Navarrete-Encina, Patricio A.; Vega-Retter, Christian; Salazar, Ricardo; Perez, Karina; Squella, Juan A.; Nunez-Vergara, Luis J.

2010-01-01

Substituted chromenos, dihydropyridines and pyridines have been important in the syntheses of compounds having interesting pharmacological properties. Therefore, we found of interest to synthesize chromenopyridines and chromeno dihydropyridines (i.e., fused chromeno and dihydropyridine or pyridine rings) to further study their biological activity. Here, we propose one-pot syntheses for substituted ethyl-2,4-dimethyl-5-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylates, ethyl-2,4-dimethyl-5-oxo-5H-chromeno[3,4-c]pyridine-3-carboxylates and their respective 1,4-dihydropyridines based on a modified Hantzsch pyridine synthesis using 2-hydroxyaryl aldehydes, with electron withdrawing and electron donating groups on the phenyl ring, as starting reactants. Sixteen compounds were synthesized by the described method and fully characterized. An average yield of 37% was obtained for the different derivatives. (author)

Electrochemical copolymerization of thiophene derivatives; a precursor to photovoltaic devices

International Nuclear Information System (INIS)

Kumar, Prajwal; Ranjith, K.; Gupta, Satyajit; Ramamurthy, Praveen C.

2011-01-01

Highlights: → This work presents an electrochemical technique for the polymerization and copolymerization of thiophene derivatives. → Copolymerization of thiophene based monomers like 7,9-dithiophene-2yl-8H-cyclopenta[a]acenaphthalene-8-one and 3-hexylthiophene are synthesized. → Study of the structural, optical, thermal, conductivity, morphological, band gap and impedance measurements of the copolymer indicates a suitable material for photovoltaic applications. - Abstract: This work presents an electrochemical technique for the polymerization and copolymerization of thiophene derivatives like 7,9-dithiophene-2yl-8H-cyclopenta[a]acenaphthalene-8-one and 3-hexylthiophene. The structural characterization of chemically synthesized monomers and electrochemically synthesized polymers was carried out by nuclear magnetic resonance and Fourier transform infrared spectroscopy. Thermal characterizations indicate that copolymer has increased thermal stability than that of homopolymer. Morphological studies of the polymerized films carried out by scanning electron microscopy shows network structure of copolymer. Optical properties of the homopolymers and copolymer were studied by UV-visible spectrometer and it was observed that band gap of copolymer is less than the homopolymers. HOMO and LUMO levels, band gap values of the respective polymers were also calculated from the cyclic voltammetry technique with various scan rates. By the peak current obtained from various scan rates shows that all polymerization reactions are diffusion controlled process. Charge transfer resistances of polymers were determined using Nyquist plots. Conductivity of synthesized polymers shows higher conductivity for copolymer than homopolymers.

Cytotoxic effects of new synthesis heterocyclic derivatives of Amoxicillin on some cancer cell lines

Science.gov (United States)

Al-Rawi, M. S.; Hussei, D. F.; Al-Taie, A. F.; Al-Halbosiy, M. M.; Hameed, B. A.

2018-05-01

A new Schiff base [I] was prepared by refluxing Amoxicillin trihydrate and 4-Hydroxy- 3,5-dimethoxybenzaldehyde in aqueous methanol solution using glacial acetic acid as a catalyst. The new 1,3-oxazepine derivative [II] was obtained by Diels- Alder reaction of Schiff base [I] with phthalic anhydride in dry benzene. The reaction of Schiff base [I] with thioglycolic acid in dry benzene led to the formation of thiazolidin-4-one derivative [III]. While the imidazolidin-4-one [IV] derivative was produced by reacting the mentioned Schiff base [I] with glycine and triethylamine in ethanol for 9 hrs. Tetrazole derivative [V] was synthesized by refluxing Schiff base [I] with sodium azide in dimethylformamid DMF. The structure of synthesized compounds[I-V] was characterized by their melting points, elemental analysis CHN-S and by their spectral data; FTIR and 1H NMR spectroscopy. Two cancer cell lines include: (RD) human pelvic rhabdomyosarcoma and (L20B) the mice intestines carcinoma cell line (which expresses the genes for human cellular receptor for Polio viruses) were used in this study. The cytotoxic effect of different concentrations of all the synthesized compounds for 48 hrs was examined. All compounds except [IV] and [V] showed less than 50% inhibition for (L20B), while these compounds exhibit inhibition more than 50% inhibition for (RD).

New Eudesmane-Type Sesquiterpenoids from the Mangrove-Derived Endophytic Fungus Penicillium sp. J-54

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Liuming Qiu

2018-03-01

Full Text Available Four new eudesmane-type sesquiterpenoids, penicieudesmol A–D (1–4, were isolated from the fermentation broth of the mangrove-derived endophytic fungus Penicillium sp. J-54. Their structures were determined by spectroscopic methods, the in situ dimolybdenum CD method, and modified Mosher’s method. The bioassays results showed that 2 exhibited weak cytotoxicity against K-562 cells.

Synthesis and characterization of 2-substituted benzimidazoles and their evaluation as anticancer agent

Science.gov (United States)

Azam, Mohammad; Khan, Azmat Ali; Al-Resayes, Saud I.; Islam, Mohammad Shahidul; Saxena, Ajit Kumar; Dwivedi, Sourabh; Musarrat, Javed; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal

2015-05-01

In this work, we report a series of benzimidazole derivatives synthesized from benzene-1,2-diamine and aryl-aldehydes at room temperature. The synthesized compounds have been characterized on the basis of elemental analysis and various spectroscopic studies viz., IR, 1H- and 13C-NMR, ESI-MS as well by X-ray single X-ray crystallographic study. Interaction of these compounds with CT-DNA has been examined with fluorescence experiments and showed significant binding ability. All the synthesized compounds have been screened for their antitumor activities against various human cancer cell lines viz., Human breast adenocarcinoma cell line (MCF-7), Human leukemia cell line (THP-1), Human prostate cancer cell lines (PC-3) and adenocarcinomic human alveolar basal epithelial cell lines (A-549). Interestingly, all the compounds showed significant anticancer activity.

Synthesis and Characterization of Some New Bis-Pyrazolyl-Thiazoles Incorporating the Thiophene Moiety as Potent Anti-Tumor Agents

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Sobhi M. Gomha

2016-09-01

Full Text Available A new series of 1,4-bis(1-(5-(aryldiazenylthiazol-2-yl-5-(thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-ylbenzenes 3a–i were synthesized via reaction of 5,5′-(1,4-phenylenebis(3-(thiophen-2-yl-4,5-dihydro-1H-pyrazole-1-carbothioamide (1 with hydrazonoyl halides 2a–i. In addition, reaction of 1 with ethyl chloroacetate afforded bis-thiazolone derivative 8 as the end product. Reaction of compound 8 with methyl glyoxalate gave bis-thiazolone derivative 10. The structures of the newly synthesized compounds were established on the basis of spectroscopic evidences and their alternative syntheses. All the synthesized compounds were evaluated for their anti-tumor activities against hepatocellular carcinoma (HepG2 cell lines, and the results revealed promising activities of compounds 3g, 5e, 3e, 10, 5f, 3i, and 3f with IC50 equal 1.37 ± 0.15, 1.41 ± 0.17, 1.62 ± 0.20, 1.86 ± 0.20, 1.93 ± 0.08, 2.03 ± 0.25, and 2.09 ± 0.19 μM, respectively.

Mechanochemically Driven Syntheses of Boride Nanomaterials

Science.gov (United States)

Blair, Richard G.

Solid state metathesis reactions have proven to be a viable route to the production of unfunctionalized nanomaterials. However, current implementations of this approach are limited to self-propagating reactions. We have been investigating mechanically driven metathesis reactions. The use of high-energy ball mills allows control of crystallite sizes without the use of a capping group. Reinforcement materials with crystallite sizes on the order of 5-30 nm can be produced in such a manner. Borides are of particular interest due to their strength, high melting point, and electrical conductivity. The ultimate goal of this work is to prepare oxide and capping group-free nanoparticles suitable for incorporation in thermoelectric, polymer, and ceramic composites. Ultimately this work will facilitate the production of improved thermoelectric materials that will provide robust, deployable, power generation modules to supplement or replace fuel cell, Stirling, and battery-derived power sources. It will also result in scalable, bulk syntheses of tough, refractory, conductive nanomaterials for polymer composites with improved electrical properties, ceramic composites with enhanced fracture toughness, and composites with enhanced neutron reflectance and/or absorbance.

Synthesis, spectroscopic investigations, DFT studies, molecular docking and antimicrobial potential of certain new indole-isatin molecular hybrids: Experimental and theoretical approaches

Science.gov (United States)

Almutairi, Maha S.; Zakaria, Azza S.; Ignasius, P. Primsa; Al-Wabli, Reem I.; Joe, Isaac Hubert; Attia, Mohamed I.

2018-02-01

Indole-isatin molecular hybrids 5a-i have been synthesized and characterized by different spectroscopic methods to be evaluated as new antimicrobial agents against a panel of Gram positive bacteria, Gram negative bacteria, and moulds. Compound 5h was selected as a representative example of the prepared compounds 5a-i to perform computational investigations. Its vibrational properties have been studied using FT-IR and FT-Raman with the aid of density functional theory approach. The natural bond orbital analysis as well as HOMO and LUMO molecular orbitals investigations of compound 5h were carried out to explore its possible intermolecular delocalization or hyperconjugation and its possible interactions with the target protein. Molecular docking of compound 5h predicted its binding mode with the fungal target protein.

Synthesis of new piroxicam derivatives and their influence on lipid bilayers.

Science.gov (United States)

Szczęśniak-Sięga, Berenika; Maniewska, Jadwiga; Poła, Andrzej; Środa-Pomianek, Kamila; Malinka, Wiesław; Michalak, Krystyna

2014-01-01

A novel series of potentially biologically active 1,2-benzothiazine 1,1-dioxides--analogs of piroxicam (a recognized non-steroidal anti-inflammatory drug) were synthesized from commercially available saccharin. All of the synthesized compounds were subjected to preliminary evaluation for their ability to interact with lipid bilayers. The influence of the new derivatives of piroxicam on liposomes made of EYPC was investigated by fluorescence spectroscopy with two fluorescent probes--Laurdan and Prodan. All the studied compounds showed an interaction with model membranes.

Development of a THz spectroscopic imaging system

International Nuclear Information System (INIS)

Usami, M; Iwamoto, T; Fukasawa, R; Tani, M; Watanabe, M; Sakai, K

2002-01-01

We have developed a real-time THz imaging system based on the two-dimensional (2D) electro-optic (EO) sampling technique. Employing the 2D EO-sampling technique, we can obtain THz images using a CCD camera at a video rate of up to 30 frames per second. A spatial resolution of 1.4 mm was achieved. This resolution was reasonably close to the theoretical limit determined by diffraction. We observed not only static objects but also moving ones. To acquire spectroscopic information, time-domain images were collected. By processing these images on a computer, we can obtain spectroscopic images. Spectroscopy for silicon wafers was demonstrated

Spectroscopic data

CERN Document Server

Melzer, J

1976-01-01

During the preparation of this compilation, many people contributed; the compilers wish to thank all of them. In particular they appreciate the efforts of V. Gilbertson, the manuscript typist, and those of K. C. Bregand, J. A. Kiley, and W. H. McPherson, who gave editorial assistance. They would like to thank Dr. J. R. Schwartz for his cooperation and encouragement. In addition, they extend their grati­ tude to Dr. L. Wilson of the Air Force Weapons Laboratory, who gave the initial impetus to this project. v Contents I. I ntroduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 . . . . . . . . . . . . . . . . 11. Organization ofthe Spectroscopic Table. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Methods of Production and Experimental Technique . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Band Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2...

Effect of hydroxylamine hydrochloride on the floral decoration of zinc oxide synthesized by solution method

International Nuclear Information System (INIS)

Wahab, Rizwan; Ansari, S.G.; Kim, Young Soon; Khang, Gilson; Shin, Hyung-Shik

2008-01-01

Effect of the structure-directing agent on the floral (depicting flower) morphological variation of ZnO is systematically studied and presented here. Flowery decorated (resembling flower) zinc oxide structure composed of hexagonal nanorods (sharp tips and wider bases) was synthesized at 90 deg. C using zinc acetate dihydrate and sodium hydroxide at various concentrations of hydroxylamine hydrochloride for 12 h by solution method. Single crystalline nature with the wurtzite hexagonal phase remained unaltered with increasing concentration of hydroxylamine hydrochloride while the morphology changes from nanorod to plate like structure. Photoelectron spectroscopic measurement presented spectra close to the standard bulk ZnO, with an O 1s peak composed of surface adsorbed O-H group, O 2- in the oxygen vacancies on ZnO structure and ZnO. At higher concentration (0.8 M), surface adsorbed O-H group increases while other component decreases because of the changes in the nucleation and surface energy. Results clearly indicate that hydroxylamine hydrochloride works as a structure-directing agent without affecting other properties

Morphological evolution of Bi2Se3 nanocrystalline materials synthesized by microwave assisted solvothermal method

Science.gov (United States)

Bera, Sumit; Behera, P.; Mishra, A. K.; Krishnan, M.; Patidar, M. M.; Singh, D.; Gangrade, M.; Venkatesh, R.; Deshpande, U. P.; Phase, D. M.; Ganesan, V.

2018-04-01

Structural, morphological and spectroscopic properties of Bi2Se3 nanoparticles synthesized by microwave assisted solvothermal method were investigated systematically. A controlled synthesis of different morphologies by a small variation in synthesis procedure is demonstrated. Powder X-ray diffraction (XRD) confirmed the formation of single phase. Crystallite and particle size reductions were studied with XRD and AFM (Atomic Force Microscopy). Different morphologies such as hexagonal nanoflakes with cross section of around˜6µm, nanoflower and octahedral agglomerated crystals of nearly ˜60 nm size have been observed in scanning electron microscope while varying the microwave assisted synthesis procedures. A significant blue shift observed in diffuse reflectance spectroscopy evidences the energy gap tuning as a result of morphological evolution. The difference in morphology observed in this three fast, facile and scalable synthesis is advantageous for tuning the thermoelectric figure of merit and for probing the surface states of these topological insulators. Low temperature resistivity remains similar for all three variants depicting a 2D character as evidenced by a -lnT term of localization.

The nitro-reduced metabolite of nimesulide: Crystal structure, spectroscopic characterization, ESI-QTOF mass spectrometric analysis and antibacterial evaluation

Science.gov (United States)

Nunes, Julia H. B.; Nakahata, Douglas H.; Lustri, Wilton R.; Corbi, Pedro P.; de Paiva, Raphael E. F.

2018-04-01

Here we present a synthetic procedure, spectroscopic characterization and single-crystal X-ray structure for the nitro-reduced metabolite of the anti-inflammatory drug nimesulide, hereby referred to as NMS-NH2. The nitro-reduced metabolite was synthesized using the Béchamp reduction (iron powder under acidic media), leading to the conversion of the nitrobenzene group of nimesulide to an aniline. Mass spectrometry, infrared and nuclear magnetic resonance spectroscopies data are also provided for NMS-NH2, and discussed in comparison to nimesulide. NMS-NH2 was also evaluated in terms of its antibacterial activities, considering that the free sbnd NH2 group could allow the compound to act as a dihydropteroate synthase inhibitor. NMS-NH2 had a modest antibacterial activity against P. aeruginosa (5.0 mg mL-1), which was not observed for NMS.

SYNTHESIS AND CYTOTOXIC ACTIVITY OF CHALCONE DERIVATIVES ON HUMAN BREAST CANCER CELL LINES

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Nuraini Harmastuti

2012-12-01

Full Text Available Chalcone, an α,β-unsaturated ketone, has been shown have many biological activities such as anticancer and antifungi. This research was conducted to synthesize the chalcone derivatives and to obtain their cytotoxic activity on human cervix cancer cell lines. Synthesis of chalcone and its derivatives, 4II-methylchalcone, 4II-methoxychalcone, and 3II,4II-dichlorochalcone was carried out using starting materials of benzaldehide and acetofenon, p-methylacetophenone, p-methoxyacetophenone, as well as m,p-dichloroacetophenone through Claisen Schmidt condensation catalized by NaOH in ethanol at 15 °C. The purity of synthesized compounds were analyzed by thin layer chromatography, melting range, and gas chromatography. Structure elucidations were conducted by UV spectrophotometer, IR spectrometer, 1H-NMR spectrometer, as well as mass spectrometer. Cytotoxic activities were determined by 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide (MTT microculture tetrazolium viability assay. The results showed that chalcone and derivatives compounds have been able to be synthesized and purified and had the same structure as a predicted structure. Chalcone had highest cytotoxic activity compared to that of its derivatives, with the IC50 values of chalcone, 4II-methylchalcone, 4II-methoxychalcone, and 3II,4II-dichlorochalcone were 9.49, 14.79, 11.48, and 24.26 µg/mL respectively. It was concluded that methyl, methoxy as well as chlorine substitution at 3 II and 4II position decrease the cytotoxic activity of chalcone.

Synthesis and Antibacterial Activities of New Metronidazole and Imidazole Derivatives

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Abdul Jabar Kh. Atia

2009-07-01

Full Text Available New imidazole ring derivatives comprising 1,3-oxazoline, Schiff's bases, thiadiazole, oxadiazole and 1,2,4-triazole moieties are reported. 3-Aminobiimidazol-4-one compounds 7a-c were synthesized by the reaction of compounds 6a-c with hydrazine hydrate. Biimidazole esters 9a-c were converted into biimidazole hydrazide esters 10a-c. Compounds 7a-c and 10a-c were converted into a variety of derivatives.

Spectroscopic Chemical Analysis Methods and Apparatus

Science.gov (United States)

Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor); Lane, Arthur L. (Inventor)

2018-01-01

Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

Optimal Background Attenuation for Fielded Spectroscopic Detection Systems

International Nuclear Information System (INIS)

Robinson, Sean M.; Ashbaker, Eric D.; Schweppe, John E.; Siciliano, Edward R.

2007-01-01

Radiation detectors are often placed in positions difficult to shield from the effects of terrestrial background gamma radiation. This is particularly true in the case of Radiation Portal Monitor (RPM) systems, as their wide viewing angle and outdoor installations make them susceptible to radiation from the surrounding area. Reducing this source of background can improve gross-count detection capabilities in the current generation of non-spectroscopic RPM's as well as source identification capabilities in the next generation of spectroscopic RPM's. To provide guidance for designing such systems, the problem of shielding a general spectroscopic-capable RPM system from terrestrial gamma radiation is considered. This analysis is carried out by template matching algorithms, to determine and isolate a set of non-threat isotopes typically present in the commerce stream. Various model detector and shielding scenarios are calculated using the Monte-Carlo N Particle (MCNP) computer code. Amounts of nominal-density shielding needed to increase the probability of detection for an ensemble of illicit sources are given. Common shielding solutions such as steel plating are evaluated based on the probability of detection for 3 particular illicit sources of interest, and the benefits are weighed against the incremental cost of shielding. Previous work has provided optimal shielding scenarios for RPMs based on gross-counting measurements, and those same solutions (shielding the internal detector cavity, direct shielding of the ground between the detectors, and the addition of collimators) are examined with respect to their utility to improving spectroscopic detection