Adipokines induce catabolism of newly synthesized matrix in cartilage and meniscus tissues.

Science.gov (United States)

Nishimuta, James F; Levenston, Marc E

Altered synovial levels of various adipokines (factors secreted by fat as well as other tissues) have been associated with osteoarthritis (OA) onset and progression. However, the metabolic effects of adipokines on joint tissues, in particular the fibrocartilaginous menisci, are not well understood. This study investigated effects of several adipokines on release of recently synthesized extracellular matrix in bovine cartilage and meniscus tissue explants. After labeling newly synthesized proteins and sulfated glycosaminoglycans (sGAGs) with 3 H-proline and 35 S-sulfate, respectively; bovine cartilage and meniscus tissue explants were cultured for 6 days in basal medium (control) or media supplemented with adipokines (1 µg/ml of leptin, visfatin, adiponectin, or resistin) or 20 ng/ml interleukin-1 (IL-1). Release of radiolabel and sGAG to the media during culture and the final explant water, DNA, sGAG, and retained radiolabel were measured. Matrix metalloproteinase (MMP-2) and MMP-3 activities were assessed using gelatin and casein zymography, respectively. Water and DNA contents were not significantly altered by any treatment. Visfatin, adiponectin, resistin, and IL-1 stimulated sGAG release from meniscus, whereas only IL-1 stimulated sGAG release from cartilage. Release of 3 H and 35 S was stimulated not only by resistin and IL-1 in meniscus but also by IL-1 in cartilage. Retained 3 H was unaltered by any treatment, while retained 35 S was reduced by visfatin, resistin, and IL-1 in meniscus and by only IL-1 in cartilage. Resistin and IL-1 elevated active MMP-2 and total MMP-3 in meniscus, whereas cartilage MMP-3 activity was elevated by only IL-1. Resistin stimulated rapid and extensive catabolism of meniscus tissue, similar to IL-1, whereas adipokines minimally affected cartilage. Release of newly synthesized matrix was similar to overall release in both tissues. These observations provide further indications that meniscal tissue is more sensitive to pro

Vasorelaxant Effect of a Newly Synthesized Dihydropyridine Ethyl Ester (DHPEE on Rat Thoracic Aorta: Dual Mechanism of Action

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Hossein Babaei

2011-06-01

Full Text Available Introduction: DHPEE is a newly synthesized compound by merging the key structural elements in an angiotensin receptor blocker (Telmisartan with key structural elements in 1,4- dihydropyridine calcium channel blocker (Nifedipine. In this study, we examined dual calcium channel blocking and AT1 antagonist activity for DHPEE. Methods: The functional inhibitory characteristics of DHPEE were studied in vitro in rat thoracic aorta preparations precontracted by phenylephrine (1µM or KCl (80µM or Ang II in normal or calcium-free solutions. Results: Concentration–dependent significant relaxation was observed in aortic rings precontracted with phenylephrine, KCl or Ang II. The tension increment produced by increasing external calcium was also reduced by DHPEE. DHPEE caused a marked decrease in the maximal contractile response of the vasoactive agents and shifted their concentration-response curves to the right. Conclusion: DHPEE possesses dual characteristics and cause vasorelaxation by blocking the L-type calcium channels and blocking Ang II receptors (AT1 in rat aortic smooth muscle.

Poly thiophene hydrophobic and hydrophilic compounds, silver and iodine synthesized by plasma

International Nuclear Information System (INIS)

Palacios, J.C.; Chavez, J.A.; Olayo, M.G.; Cruz, G.J.

2007-01-01

Compounds in thin films of poly thiophene with silver and poly thiophene doped with iodine and silver using splendor discharges were synthesized. It is studied the wettability of the compounds and its transport properties. It was found that the compounds can modify their hydrophilic to hydrophobic behavior controlling their surface ruggedness and the metallic content. The doped with iodine plays a fundamental paper in the modification of the ruggedness of the compounds. (Author)

Luminescence properties of Tb{sub 3}Al{sub 5}O{sub 12} garnet and related compounds synthesized by the metal organic decomposition method

Energy Technology Data Exchange (ETDEWEB)

Onishi, Yuya; Nakamura, Toshihiro, E-mail: tnakamura@gunma-u.ac.jp; Adachi, Sadao, E-mail: adachi@gunma-u.ac.jp

2017-03-15

The Tb–Al–O ternay compounds were prepared by the metal organic decompostion (MOD) method from mixted solutions of Al{sub 2}O{sub 3} and Tb{sub 4}O{sub 7} and subsequent calcination at T{sub c}=1200 °C in air. The structural and optical properties of the synthesized compounds were examined using X-ray diffraction analysis, photoluminescence (PL) analysis, PL excitation (PLE) spectroscopy, PL decay kinetics, and diffuse reflectance spetrosopy. The stoichiometric compounds of terbium aluminium garnet Tb{sub 3}Al{sub 5}O{sub 12} (TAG) and peroviskite-type TbAlO{sub 3} were synthesized at molar ratios of x=0.375 and 0.5 [x ≡Tb{sub 4}O{sub 7}/(Tb{sub 4}O{sub 7}+2Al{sub 2}O{sub 3})], together with the end-point binary materials of rhombohedral Al{sub 2}O{sub 3} (α-Al{sub 2}O{sub 3}; x=0) and cubic Tb{sub 4}O{sub 7} (x=1.0). One can also expect synthesis of stoichiometric compounds Tb{sub 4}Al{sub 2}O{sub 9} and Tb{sub 3}AlO{sub 12} at x=0.667 and 0.75, respectively; however, these compounds were found to be very difficult to synthesize by the MOD method or, probably by other methods. Temperature dependence of the PL spectra for TAG was measured from T=20–440 K in 10-K step and analyzed using a newly developed theoretical model. Raman scattering measurements were also performed on the Tb–Al–O material system with compositions widely varying from x=0 (α-Al{sub 2}O{sub 3}) to 1.0 (Tb{sub 4}O{sub 7}).

Potential of Start Codon Targeted (SCoT) markers for DNA fingerprinting of newly synthesized tritordeums and their respective parents.

Science.gov (United States)

Cabo, Sandra; Ferreira, Luciana; Carvalho, Ana; Martins-Lopes, Paula; Martín, António; Lima-Brito, José Eduardo

2014-08-01

Hexaploid tritordeum (H(ch)H(ch)AABB; 2n = 42) results from the cross between Hordeum chilense (H(ch)H(ch); 2n = 14) and cultivated durum wheat (Triticum turgidum ssp. durum (AABB; 2n = 28). Morphologically, tritordeum resembles the wheat parent, showing promise for agriculture and wheat breeding. Start Codon Targeted (SCoT) polymorphism is a recently developed technique that generates gene-targeted markers. Thus, we considered it interesting to evaluate its potential for the DNA fingerprinting of newly synthesized hexaploid tritordeums and their respective parents. In this study, 60 SCoT primers were tested, and 18 and 19 of them revealed SCoT polymorphisms in the newly synthesized tritordeum lines HT27 and HT22, respectively, and their parents. An analysis of the presence/absence of bands among tritordeums and their parents revealed three types of polymorphic markers: (i) shared by tritordeums and one of their parents, (ii) exclusively amplified in tritordeums, and (iii) exclusively amplified in the parents. No polymorphism was detected among individuals of each parental species. Three SCoT markers were exclusively amplified in tritordeums of lines HT22 and HT27, being considered as polyploidization-induced rearrangements. About 70% of the SCoT markers of H. chilense origin were not transmitted to the allopolyploids of both lines, and most of the SCoTs scored in the newly synthesized allopolyploids originated from wheat, reinforcing the potential use of tritordeum as an alternative crop.

Spectral, stoichiometric ratio, physicochemical, polarity and photostability studies of newly synthesized chalcone dye in organized media

International Nuclear Information System (INIS)

Marwani, Hadi M.; Asiri, Abdullah M.; Khan, Salman A.

2013-01-01

The main focus of this study was to investigate spectroscopic properties, stoichiometric ratios, physicochemical parameters, polarity and photostability behaviors of newly synthesized chalcone dye in organized media. The chalcone dye, 1-(2,5-Dimethyl-thiophen-3-yl)-3-(9-etnyl-9H-carbazol-3-yl)-propenone (DTEP), was prepared by the reaction of carbazole aldehyde with 3-acetyl-2,5-dimethythiophene. Data obtained from FT-IR, 1 H-–NMR, 13 C-NMR and elemental analysis were consistent with chemical structure of newly prepared DTEP. Increases in fluorescence intensities of DTEP with cetyltrimethyl ammonium bromide (CTAB) were observed. In comparison of fluorescence intensities for DTEP with CTAB, reductions in fluorescence intensities for DTEP with sodium dodecyl sulfate (SDS) were noticed under the same experimental and instrumental conditions. Additionally, Benesi–Hildebrand method was applied to determine stoichiometric ratios and association constants of DTEP with CTAB and SDS. Stern–Volmer plot was used in order to further confirm the stoichiometric ratio and association constant of DTEP with SDS. Physicochemical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment and fluorescence quantum yield of DTEP were also determined. Fluorescence polarity study displayed that DTEP was sensitive to the polarity of the microenvironment provided by different solvents. Finally, fluorescence steady-state measurements revealed that DTEP has high photostability against photobleaching. -- Highlights: ► Mechanistic understanding of molecular structure of newly synthesized chalcone dye. ► Exploring spectral behaviors and physicochemical parameters of chalcone dye. ► Determination of stoichiometric ratios and association constants of chalcone dye. ► Determination of fluorescence quantum yield in different solvents. ► High photostability against photobleaching of chalcone dye was observed

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 ...

Structure Modification of an Active Azo-Compound as a Route to New Antimicrobial Compounds

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Simona Concilio

2017-05-01

Full Text Available Some novel (phenyl-diazenylphenols 3a–g were designed and synthesized to be evaluated for their antimicrobial activity. A previously synthesized molecule, active against bacteria and fungi, was used as lead for modifications and optimization of the structure, by introduction/removal or displacement of hydroxyl groups on the azobenzene rings. The aim of this work was to evaluate the consequent changes of the antimicrobial activity and to validate the hypothesis that, for these compounds, a plausible mechanism could involve an interaction with protein receptors, rather than an interaction with membrane. All newly synthesized compounds were analyzed by 1H-NMR, DSC thermal analysis and UV-Vis spectroscopy. The in vitro minimal inhibitory concentrations (MIC of each compound was determined against Gram-positive and Gram-negative bacteria and Candida albicans. Compounds 3b and 3g showed the highest activity against S. aureus and C. albicans, with remarkable MIC values of 10 µg/mL and 3 µg/mL, respectively. Structure-activity relationship studies were capable to rationalize the effect of different substitutions on the phenyl ring of the azobenzene on antimicrobial activity.

First-principles calculations of a high-pressure synthesized compound PtC

International Nuclear Information System (INIS)

Li Linyan; Yu Wen; Jin Changqing

2005-01-01

The first-principles density-functional method is used to study the recently high-pressure synthesized compound PtC. It is confirmed by our calculations that platinum carbide has a zinc-blende ground-state phase at zero pressure and that the rock-salt structure is a high-pressure phase. The theoretical transition pressure from zinc-blende to rock-salt structure is determined to be 52 GPa. Furthermore, our calculation shows the possibility that the PtC experimentally synthesized under high pressure conditions might undergo a transition from rock-salt to zinc-blende structure after a pressure quench to ambient conditions

Molecular Docking and Anticonvulsant Activity of Newly Synthesized Quinazoline Derivatives

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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.

Newly synthesized MgAl2Ge2: A first-principles comparison with its silicide and carbide counterparts

Science.gov (United States)

Tanveer Karim, A. M. M.; Hadi, M. A.; Alam, M. A.; Parvin, F.; Naqib, S. H.; Islam, A. K. M. A.

2018-06-01

Using plane-wave pseudopotential density functional theory (DFT), the first-principle calculations are performed to investigate the structural aspects, mechanical behaviors and electronic features of the newly synthesized CaAl2Si2-prototype intermetallic compound, MgAl2Ge2 for the first time and the results are compared with those calculated for its silicide and carbide counterparts MgAl2Si2 and MgAl2C2. The calculated lattice constants agree fairly well with their corresponding experimental values. The estimated elastic tensors satisfy the mechanical stability conditions for MgAl2Ge2 along with MgAl2Si2 and MgAl2C2. The level of elastic anisotropy increases following the sequence of X-elements Ge → Si → C. MgAl2Ge2 and MgAl2Si2 are expected to be ductile and damage tolerant, while MgAl2C2 is a brittle one. MgAl2Ge2 and MgAl2Si2 should exhibit better thermal shock resistance and low thermal conductivity and accordingly these can be used as thermal barrier coating (TBC) materials. The Debye temperature of MgAl2Ge2 is lowest among three intermetallic compounds. MgAl2Ge2 and MgAl2Si2 should exhibit metallic conductivity; while the dual characters of weak-metals and semiconductors are expected for MgAl2C2. The values of theoretical Vickers hardness for MgAl2Ge2, MgAl2Si2, and MgAl2C2 are 3.3, 2.7, and 7.7 GPa, respectively, indicating that these three intermetallics are soft and easily machinable.

Green methodology for the recovery of Cr (VI from tannery effluent using newly synthesized quaternary ammonium salt

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K.S. Yoganand

2017-02-01

Full Text Available Leather tanning industries release effluents into the river through various canals. These effluents contain chromium (VI contaminating the river and the ground water as well. To fix a solution for this issue a simple and selective solvent extraction method has been applied by using a newly synthesized quaternary ammonium salt viz 2-benzoylethylheptyldimethylammonium bromide. By varying the parameters such as quaternary ammonium salts, sulfuric acid, pH, solvents, equilibration time and aqueous organic ratio the extraction efficiency has been determined.

Measurement of T-lymphocyte responses in whole-blood cultures using newly synthesized DNA and ATP.

Science.gov (United States)

Sottong, P R; Rosebrock, J A; Britz, J A; Kramer, T R

2000-03-01

The proliferative response is most frequently determined by estimating the amount of [(3)H]thymidine incorporated into newly synthesized DNA. The [(3)H]thymidine procedure requires the use of radioisotopes as well as lengthy periods of incubation (>72 h). An alternative method of assessing T-lymphocyte activation in whole-blood cultures involves the measurement of the nucleotide ATP instead of [(3)H]thymidine incorporation. In addition, the Luminetics assay of T-cell activation measures specific T-lymphocyte subset responses through the use of paramagnetic particles coated with monoclonal antibodies against CD antigens. This assay permits rapid (24 h) analysis of lymphocyte subset activation responses to mitogens and recall antigens in small amounts of blood.

ADP-ribosyl-N₃: A Versatile Precursor for Divergent Syntheses of ADP-ribosylated Compounds.

Science.gov (United States)

Li, Lingjun; Li, Qianqian; Ding, Shengqiang; Xin, Pengyang; Zhang, Yuqin; Huang, Shenlong; Zhang, Guisheng

2017-08-14

Adenosine diphosphate-ribose (ADP-ribose) and its derivatives play important roles in a series of complex physiological procedures. The design and synthesis of artificial ADP-ribosylated compounds is an efficient way to develop valuable chemical biology tools and discover new drug candidates. However, the synthesis of ADP-ribosylated compounds is currently difficult due to structural complexity, easily broken pyrophosphate bond and high hydrophilicity. In this paper, ADP-ribosyl-N₃ was designed and synthesized for the first time. With ADP-ribosyl-N₃ as the key precursor, a divergent post-modification strategy was developed to prepare structurally diverse ADP-ribosylated compounds including novel nucleotides and peptides bearing ADP-ribosyl moieties.

Biodistribution of newly synthesized PHEA-based polymer-coated SPION in Sprague Dawley rats as magnetic resonance contrast agent

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Park J

2013-10-01

Full Text Available Junsung Park,1,2,* Wonkyung Cho,1,2,* Hee Jun Park,1,2 Kwang-Ho Cha,1,2 Dae-Chul Ha,2,5 Youn-Woong Choi,5 Ha-Young Lee,3 Sun-Hang Cho,5 Sung-Joo Hwang1,4 1Yonsei Institute of Pharmaceutical Sciences, Yonsei University, Incheon, Republic of Korea; 2College of Pharmacy, Chungnam National University, Daejeon, Republic of Korea; 3Biomaterials Laboratory, Korea Research Institutes of Chemical Technology, Daejeon, Republic of Korea; 4College of Pharmacy, Yonsei University, Incheon, Republic of Korea; 5Korea United Pharm Inc, Seoul, Republic of Korea *These authors contributed equally to this work Objectives: The purpose of this study was to observe the pharmacokinetic behavior of newly synthesized biocompatible polymers based on polyhydroxyethylaspartamide (PHEA to be used to coat an iron oxide core to make superparamagnetic iron oxide nanoparticles (SPION. Materials and methods: The isotopes [14C] and [59Fe] were used to label the polymer backbone (CLS and iron oxide core (FLS, respectively. In addition, unradiolabeled cold superparamagnetic iron oxide nanoparticles (SPION/ULS were synthesized to characterize particle size by dynamic light scattering, morphology by transmission electron microscopy, and in vivo magnetic resonance imaging (MRI. CLS and FLS were used separately to investigate the behavior of both the synthesized polymer and [Fe] in Sprague Dawley (SD rats, respectively. Because radioactivity of the isotopes was different by β for CLS and γ for FLS, synthesis of the samples had to be separately prepared. Results: The mean particle size of the ULS was 66.1 nm, and the biodistribution of CLS concentrations in various organs, in rank order of magnitude, was liver > kidney > small intestine > other. The biodistribution of FLS concentrations was liver > spleen > lung > other. These rank orders show that synthesized SPION mainly accumulates in the liver. The differences in the distribution were caused by the SPION metabolism. Radiolabeled

Synthesis and biological evaluation of biaryl analogs of antitubulin compounds

Energy Technology Data Exchange (ETDEWEB)

Tozatti, Camila Santos Suniga; Khodyuk, Rejane Goncalves Diniz; Silva, Adriano Olimpio da; Santos, Edson dos Anjos dos; Amaral, Marcos Serrou do; Lima, Denis Pires de, E-mail: denis.lima@ufms.br [Centro de Ciencias Exatas e Tecnologia, Universidade Federal de Mato Grosso do Sul, Campo Grande, MS (Brazil); Hamel, Ernest [Screening Technologies Branch, Division of Cancer Treatment and Diagnosis, National Cancer Institute at Frederick, MD (United States)

2012-07-01

This paper reports the synthesis of methanones and esters bearing different substitution patterns as spacer groups between aromatic rings. This series of compounds can be considered phenstatin analogs. Two of the newly synthesized compounds, 5a and 5c, strongly inhibited tubulin polymerization and the binding of [{sup 3}H] colchicine to tubulin, suggesting that, akin to phenstatin and combretastatin A-4, they can bind to tubulin at the colchicine site. (author)

Effects of two newly synthesized analogues of lidocaine on rat arterial blood pressure and heart rate.

Science.gov (United States)

Al Rasheed, N M; Al Sayed, M I; Al Zuhair, H H; Al Obaid, A R; Fatani, A J

2001-04-01

Two new analogues of lidocaine were synthesized at the College of Pharmacy, King Saud University: compound I (Methyl-2-[2-(N,N-diethylamino) acetamido]-3-cyano-4,5-dimethylbenzoate) and compound II (Methyl-2-[2-(piperidino) acetamido]-3-cyano-4,5-dimethylbenzoate). Their influence on the arterial blood pressure and the heart rate of urethane-anaesthetized rats was studied and compared with the actions of lidocaine. Compounds I, II and lidocaine induced significant dose-dependent decreases in the arterial blood pressure and heart rate, which usually returned to basal values within 3-5 min. There were significant differences in the potency of the three compounds in producing their effects on blood pressure and heart rate (Plidocaine and compound I, respectively. The results of this study also indicated the ineffectiveness of antagonists of autonomic, histaminergic and 5-HT receptor, and various vasodilators in blocking the actions of the three compounds on blood pressure and heart rate. Pretreatment with CaCl(2)significantly reduced the hypotension and bradycardia induced by the three compounds, suggesting the involvement of calcium channels, probably of the L type. Several possible mechanisms are postulated. In conclusion, the results direct attention to the capability of the two new compounds to decrease blood pressure and heart rate; affects that may have clinical potential. Copyright 2001 Academic Press.

Ferroelectric and magnetic properties in high-pressure synthesized BiFeO3 compound

International Nuclear Information System (INIS)

Zhai, L.; Shi, Y.G.; Gao, J.L.; Tang, S.L.; Du, Y.W.

2011-01-01

Highlights: → A high-density polycrystalline BiFeO 3 compound was synthesized by high-pressure annealing method. → The sample showed weak ferromagnetic at room temperature, which could be attributed to the lattice distortion induced by the high-pressure annealing. → Irregular domains were observed on the surface of the sample by piezoresponse force microscopy, and a typical hysteresis loop was obtained. - Abstract: High-density polycrystalline BiFeO 3 compound was synthesized by high-pressure annealing. Measurements of crystal structure, magnetic, and ferroelectric properties were made on the sample. It was found that the sample was almost single phase with a distorted R3c structure. The results of the X-ray photoelectron spectra demonstrate that the oxidation state of Fe in the sample is Fe 3+ . The room-temperature field dependence of magnetization for BiFeO 3 exhibits a hysteretic behavior. The observed weak ferromagnetism could be ascribed to the lattice distortion induced by the high-pressure annealing. In addition, the local ferroelectric performance of the sample was studied by piezoresponse force microscopy.

Identification of Newly Synthesized Proteins by Echinococcus granulosus Protoscoleces upon Induction of Strobilation.

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João Antonio Debarba

2015-09-01

Full Text Available The proteins responsible for the key molecular events leading to the structural changes between the developmental stages of Echinococcus granulosus remain unknown. In this work, azidohomoalanine (AHA-specific labeling was used to identify proteins expressed by E. granulosus protoscoleces (PSCs upon the induction of strobilar development.The in vitro incorporation of AHA with different tags into newly synthesized proteins (NSPs by PSCs was analyzed using SDS-PAGE and confocal microscopy. The LC-MS/MS analysis of AHA-labeled NSPs by PSCs undergoing strobilation allowed for the identification of 365 proteins, of which 75 were differentially expressed in comparison between the presence or absence of strobilation stimuli and 51 were expressed exclusively in either condition. These proteins were mainly involved in metabolic, regulatory and signaling processes.After the controlled-labeling of proteins during the induction of strobilar development, we identified modifications in protein expression. The changes in the metabolism and the activation of control and signaling pathways may be important for the correct parasite development and be target for further studies.

Oxyfluoride Chemistry of Layered Perovskite Compounds

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Yoshihiro Tsujimoto

2012-03-01

Full Text Available In this paper, we review recent progress and new challenges in the area of oxyfluoride perovskite, especially layered systems including Ruddlesden-Popper (RP, Dion-Jacobson (DJ and Aurivillius (AV type perovskite families. It is difficult to synthesize oxyfluoride perovskite using a conventional solid-state reaction because of the high chemical stability of the simple fluoride starting materials. Nevertheless, persistent efforts made by solid-state chemists have led to a major breakthrough in stabilizing such a mixed anion system. In particular, it is known that layered perovskite compounds exhibit a rich variety of O/F site occupation according to the synthesis used. We also present the synthetic strategies to further extend RP type perovskite compounds, with particular reference to newly synthesized oxyfluorides, Sr2CoO3F and Sr3Fe2O5+xF2−x (x ~ 0.44.

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

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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.

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.

S-omega carboxamidinoalkyl isothiurea compounds. VI. Radioprotective testing on E. coli

Energy Technology Data Exchange (ETDEWEB)

Minkova, M; Pantev, T [Nauchno-Izsledovatelski Inst. po Radiologiya i Radiatsionna Khigiena, Sofia (Bulgaria)

1975-01-01

The radioprotective effect of eight newly synthesized potential radioprotectors from the group of the S-omega carboxamidinoalkyl isothiourea compounds is studied. The protective activity of these compounds is evaluated according to the ability of E. coli B to form colonies. Exponential culture of this strain were exposed to 20, 40, 60, 80, 100, and 120 kR of gamma rays (Cobalt 60) in the presence of the tested compounds administered in experimentally established nontoxic concentrations 15 minutes before irradiation. Five of the eight compounds tested showed radioprotective effect which was more prominent at the higher doses. As a result of this, cell survival was increased by one order.

Studies on the effect of a newly synthesized Schiff base compound from phenazone and vanillin on the corrosion of steel in 2M HCl

International Nuclear Information System (INIS)

Emreguel, Kaan C.; Hayvali, Mustafa

2006-01-01

The inhibiting action of a Schiff base 4-[(4-hydroxy-3-hydroxymethyl-benzylidene)-amino]-1,5-dimethyl-2-phenyl-1,2 -dihydro-pyrazol-3-one (phv), derived from 4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one (phz) and 4-hydroxy-3-methoxy-benzaldehyde (vn), towards the corrosion behavior of steel in 2M HCl solution has been studied using weight loss, polarization and electrochemical impedance spectroscopy (EIS) techniques. Although vn and phz were found to retard the corrosion rate of steel, the compound synthesized from vn and phz was seen to retard the corrosion rate even more. At constant temperature, the corrosion rate decreases with increasing inhibitor concentration. However, at any inhibitor concentration the increase in temperature leads to an increase in the corrosion rate of steel. The activations energies, ΔE a , as well as other thermodynamic parameters (ΔG ads 0 , ΔH ads 0 ) for the inhibitor process were calculated. The inhibitor efficiencies calculated from all the applied methods were in agreement and were found to be in the order: phv>phz>vn

Synthesis and Antibacterial Evaluation of Novel Heterocyclic Compounds Containing a Sulfonamido Moiety

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Eman A. El-Bordany

2013-01-01

Full Text Available Aiming for the synthesis of new heterocyclic compounds containing a sulfonamido moiety suitable for use as antibacterial agents, the precursor ethyl {[4-N-(4,6-dimethylpyrimidin-2-ylsulfamoyl]phenylazo}cyanoacetate was reacted with a variety of active methylene compounds producing pyran, pyridine and pyridazine derivatives. Also, the reactivity of the precursor hydrazone towards hydrazine derivatives to give pyrazole and oxazole derivatives was studied. On the other hand, treatment of the same precursor with urea, thiourea and/or guanidine hydrochloride furnished pyrimidine and thiazine derivatives, respectively. The newly synthesized compounds were tested for antibacterial activity, whereby eight compounds were found to have high activities.

Hydrogen bonded supra-molecular framework in inorganic-organic hybrid compounds: Syntheses, structures, and photoluminescent properties

Science.gov (United States)

Yan, Li; Liu, Wei; Li, Chuanbi; Wang, Yifei; Ma, Li; Dong, Qinqin

2013-03-01

Two novel compounds constructed from aromatic acid and N-Heterocyclic ligands have been synthesized by hydrothermal reaction: [Cd(mip)(1,8-NDC)(H2O)]2 (1) [mip = 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, 1,8-NDC = naphthalene-1,8-dicarboxylic acid] and Cd(mip)2(NTC)2 (2) [NTC = nicotinic acid]. Compounds 1 and 2 are characterized by elemental analysis, IR, single crystal X-ray diffraction and thermogravimetric analysis (TGA). Single-crystal X-ray investigation reveals that compounds 1-2 are 0 dimensional (0D) structures, and the existence of hydrogen bonds and π-π interactions lead the 0D to 2D novel framework. Hydrogen bonds and π-π interactions are powerful non-covalent intermolecular interactions for directing supra-molecular architectures. TG analysis shows clear courses of weight loss, which corresponds to the decomposition of different ligands. At room temperature, compound 1 exhibits emission at 449 nm upon excitation at 325 nm, and compound 2 shows a strong emission at 656 nm upon excitation at 350 nm. Fluorescent spectrum displays that compounds 1 and 2 are potential luminescent materials.

Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative

Science.gov (United States)

Menon, Vidya V.; Sheena Mary, Y.; Shyma Mary, Y.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, Christian

2018-03-01

A novel thiourea derivative, 1-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-22) is synthesized and characterized by FTIR, FT-Raman and NMR spectroscopy experimentally and theoretically. A detailed conformational analysis of the title molecule has been conducted in order to locate the lowest energy geometry, which was further subjected to the detailed investigation of spectroscopic, reactive, degradation and docking studies by density functional theory (DFT) calculations and molecular dynamics (MD) simulations. Time dependent DFT (TD-DFT) calculations have been used also in order to simulate UV spectra and investigate charge transfer within molecule. Natural bond orbital analysis has been performed analyzing the charge delocalization and using HOMO and LUMO energies the electronic properties are analyzed. Molecular electrostatic potential map is used for the quantitative measurement of active sites in the molecule. In order to determine the locations possibly prone to electrophilic attacks we have calculated average local ionization energies and mapped them to the electron density surface. Further insight into the local reactivity properties have been obtained by calculation of Fukui functions, also mapped to the electron density surface. Possible degradation properties by the autoxidation mechanism have been assessed by calculations of bond dissociation energies for hydrogen abstraction. Atoms of title molecule with significant interactions with water molecules have been determined by calculations of radial distribution functions. The title compound can be a lead compound for developing new analgesic drug.

Temperature-controlled two new Co(II) compounds with distinct topological networks: Syntheses, crystal structures and catalytic properties

Science.gov (United States)

Meng, Qing-Hua; Long, Xu; Liu, Jing-Li; Zhang, Shuan; Zhang, Guang-Hui

2018-04-01

Two new Co(II) coordination compounds, namely [Co2(bptc)(bpp)2]n (1) and [Co(bptc)0.5(bpp)]n (2) (H4bptc = biphenyl-3,3‧,5,5‧-tetracarboxylic acid, bpp = 1,3-di(4-pyridyl)propane), have been hydrothermally synthesized from the same reactants via tuning the reaction temperature. Single crystal X-ray diffraction analyses revealed that both 1 and 2 feature 2D sheet motifs. Topological analyses revealed that compounds 1 and 2 show distinct topological networks. Under the weak Van der Waals interactions, the 2D sheet motifs of compounds 1 and 2 are further packed into 2D→3D interdigitated supramolecular frameworks. Moreover, the two Co(II) compounds show high catalytic activities for degradation of methyl orange (MO) in a Fenten-like process.

Size and frequency of gaps in newly synthesized DNA of xeroderma pigmentosum human cells irradiated with ultraviolet light

International Nuclear Information System (INIS)

Meneghini, R.; Cordeiro-Stone, M.; Schumacher, R.I.

1981-01-01

Native newly synthesized DNA from human cells (xeroderma pigmentosum type) irradiated with ultraviolet light releases short pieces of DNA (L-DNA) when incubated with the single-strand specific S 1 nuclease. This is not observed in the case of unirradiated cells. Previous experiments had shown that the L-DNA resulted from the action of S 1 nuclease upon gaps, i.e., single-stranded DNA discontinuities in larger pieces of double-stranded DNA. We verified that the duplex L-DNA, that arises from the inter-gap regions upon S 1 nuclease treatment, has a size which approximates the distance between two pyrimidine dimers on the same strand. A method was devised to measure the size of the gaps. These parameters have been considered in the proposition of a model for DNA synthesis on a template containing pyrimidine dimers

New effective chemically synthesized anti-smallpox compound NIOCH-14.

Science.gov (United States)

Mazurkov, Oleg Yu; Kabanov, Alexey S; Shishkina, Larisa N; Sergeev, Alexander A; Skarnovich, Maksim O; Bormotov, Nikolay I; Skarnovich, Maria A; Ovchinnikova, Alena S; Titova, Ksenya A; Galahova, Darya O; Bulychev, Leonid E; Sergeev, Artemiy A; Taranov, Oleg S; Selivanov, Boris A; Tikhonov, Alexey Ya; Zavjalov, Evgenii L; Agafonov, Alexander P; Sergeev, Alexander N

2016-05-01

Antiviral activity of the new chemically synthesized compound NIOCH-14 (a derivative of tricyclodicarboxylic acid) in comparison with ST-246 (the condensed derivative of pyrroledione) was observed in experiments in vitro and in vivo using orthopoxviruses including highly pathogenic ones. After oral administration of NIOCH-14 to outbred ICR mice infected intranasally with 100 % lethal dose of ectromelia virus, it was shown that 50 % effective doses of NIOCH-14 and ST-246 did not significantly differ. The 'therapeutic window' varied from 1 day before infection to 6 days post-infection (p.i.) to achieve 100-60 % survival rate. The administration of NIOCH-14 and ST-246 to mice resulted in a significant reduction of ectromelia virus titres in organs examined as compared with the control and also reduced pathological changes in the lungs 6 days p.i. Oral administration of NIOCH-14 and ST-246 to ICR mice and marmots challenged with monkeypox virus as compared with the control resulted in a significant reduction of virus production in the lungs and the proportion of infected mice 7 days p.i. as well as the absence of disease in marmots. Significantly lower proportions of infected mice and virus production levels in the lungs as compared with the control were demonstrated in experiments after oral administration of NIOCH-14 and ST-246 to ICR mice and immunodeficient SCID mice challenged with variola virus 3 and 4 days p.i., respectively. The results obtained suggest good prospects for further study of the chemical compound NIOCH-14 to create a new smallpox drug on its basis.

Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea.

Science.gov (United States)

Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V K; Singh, Bachcha; Singh, Ranjan K

2016-02-05

Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations. Copyright © 2015 Elsevier B.V. All rights reserved.

The Human Nuclear Exosome Targeting Complex Is Loaded onto Newly Synthesized RNA to Direct Early Ribonucleolysis

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Michal Lubas

2015-01-01

Full Text Available The RNA exosome complex constitutes the major nuclear eukaryotic 3′-5′ exonuclease. Outside of nucleoli, the human nucleoplasmic exosome is directed to some of its substrates by the nuclear exosome targeting (NEXT complex. How NEXT targets RNA has remained elusive. Using an in vivo crosslinking approach, we report global RNA binding sites of RBM7, a key component of NEXT. RBM7 associates broadly with RNA polymerase II-derived RNA, including pre-mRNA and short-lived exosome substrates such as promoter upstream transcripts (PROMPTs, enhancer RNAs (eRNAs, and 3′-extended products from snRNA and replication-dependent histone genes. Within pre-mRNA, RBM7 accumulates at the 3′ ends of introns, and pulse-labeling experiments demonstrate that RBM7/NEXT defines an early exosome-targeting pathway for 3′-extended snoRNAs derived from such introns. We propose that RBM7 is generally loaded onto newly synthesized RNA to accommodate exosome action in case of available unprotected RNA 3′ ends.

Newly synthesized proteins in seminiferous intertubular and intratubular compartments of the rat testis

International Nuclear Information System (INIS)

Shabanowitz, R.B.; Kierszenbaum, A.L.

1986-01-01

Two-dimensional gel electrophoresis combined with autoradiography and Western blot procedures have been used to characterize newly synthesized proteins in testicular intertubular fluid (TIF) and seminiferous tubular fluid (SNF). Fluids were collected following in vivo and in vitro intratesticular injection of [ 35 S]methionine into control and hypophysectomized adult rats. A discrete number of [ 35 S]methionine-labeled proteins were detected within TIF and SNF. Their presence and relative abundance varied according to in vivo and in vitro labeling conditions. While two major blood plasma proteins, albumin and transferrin, were radioactively labeled after in vivo labeling, these two proteins were insignificantly labeled in samples collected after in vitro labeling. Three acidic proteins, possibly secreted by Sertoli cells (Mr = 72,000, 45,000 and 35,000), were more abundant in TIF samples collected after in vitro [ 35 S]methionine labeling than after in vivo labeling. Incubated seminiferous tubules and TIF of hypophysectomized rats showed a decrease in [35S]methionine-labeling intensity of the Mr = 72,000 acidic protein, possibly reflecting changes in the seminiferous epithelium caused by pituitary hormonal deprivation. Autoradiographs of TIF and most remarkably, of SNF, showed many protein spots that suggested cell breakage and leakage during sample collection. Results of this study suggest that most albumin and transferrin found in TIF and SNF have an extratesticular origin and that proteins secreted by the Sertoli cell can gain access to both TIF and SNF

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.

Newly Synthesized Doxorubicin Complexes with Selected Metals—Synthesis, Structure and Anti-Breast Cancer Activity

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Agata Jabłońska-Trypuć

2017-07-01

Full Text Available Doxorubicin (DOX is very effective chemotherapeutic agent, however it has several major drawbacks. Therefore the motivation for developing novel drug complexes as anticancer agents with different mechanism of action has arisen. The aim of the present study was to evaluate the influence of newly synthesized DOX complexes with selected metals (Mg, Mn, Co, Ni, Fe, Cu, Zn on apoptosis, cell cycle, viability, proliferation and cytotoxicity in the breast cancer cell line MCF-7. Complexation of DOX with metals has likewise been the subject of our research. The current work showed that the tested bivalent metals at a given pH condition formed metal:DOX complexes in a ratio of 2:1, while iron complexes with DOX in a ratio of 3:1. The studies also showed that selected metal-DOX complexes (Mg-DOX, Mn-DOX, Ni-DOX at 0.5 µM concentration significantly decreased cell viability and proliferation, however they increased caspase 7 activity. Results also indicated that studied metal-DOX complexes showed high cytotoxicity in MCF-7 cells. Therefore they were chosen for cell cycle check-points and apoptosis/necrosis analysis studied by flow cytometry. Obtained results suggest that doxorubicin complexed by specified metals can be considered as a potential anti-breast cancer agent, which is characterized by a higher efficacy than a parent drug.

Anti-inflammatory and antinociceptive evaluation of newly synthesized 4-(substituted ethanoyl amino-3-mercapto-5-(4-methoxy phenyl-1,2,4-triazoles

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Neeraj Upmanyu

2011-01-01

Full Text Available Introduction: 1,2,4-triazoles and its derivatives have been reported to possess anti-inflammatory, analgesic, antimicrobial, anticancer, antitumor, antitubercular, anticonvulsant, openers of Ca-activated potassium (Maxi-K channels, antiviral properties, hypoglycemic, anxiolytic and antidepressant activity. Therefore, 1,2,4-triazole seems to be an important pharmacophore. Materials and Methods: The synthesis of 4-(substituted ethanoyl amino-3-mercapto-5-(4-methoxy phenyl-1,2,4-triazoles (6a-o were prepared following six step starting 4-methoxy benzoic acid and using different secondary amines and were characterized with the help of FT-IR, 1 H, 13 C NMR, FAB Mass and nitrogen analysis. These synthesized compounds (6a-o were then evaluated for anti-inflammatory activity by carrageenan induced paw edema method.Out of these synthesized compounds, some (6f, i and k were evaluated for antinociceptive activity by Hot plate method and Tail immersion method. Results and Discussion: The synthesis of 4-(substituted amino-3-mercapto-5-(4-methoxy phenyl-1,2,4-triazoles (6a-o was accomplished. The IR spectra exhibited characteristic bands for C-N, C=N, SH and C=O at 1350-1360, 1511-1548, 2520-2594.3 and 1650-1719 cm -1 . The C-O-C asymmetric and symmetric str. was at 1250-1254 and 1027-1079.3 cm -1 respectively. In 1 H-NMR spectra, a singlet of CONH was found in the range of δ 9.92-10.18 ppm and another singlet of thiol group was observed in the range of δ 8.63-9.92 ppm. A singlet of Ar-OCH 3 was also found between δ 3.57-3.91 ppm. In 13 C- NMR spectra, C-3 and C-5 of the 1,2,4 - triazole nucleus were observed in the range of δ 147-166.9 ppm. Carbonyl carbon and methylene carbon of -NHCOCH 2 N< were found between δ 166.5-177.5 and δ 47.1-62 ppm respectively. Acute toxicity study was donr following OECD-423 and cut-off dose was found to be between 1000-1500 mg/kg body weight. At the dose level of 100 mg/kg, 6f, 6i and 6k exhibited appreciable inhibition

Syntheses, Characterization, Resolution, and Biological Studies of Coordination Compounds of Aspartic Acid and Glycine

Science.gov (United States)

Akinkunmi, Ezekiel; Ojo, Isaac; Adebajo, Clement; Isabirye, David

2017-01-01

Enantiomerically enriched coordination compounds of aspartic acid and racemic mixtures of coordination compounds of glycine metal-ligand ratio 1 : 3 were synthesized and characterized using infrared and UV-Vis spectrophotometric techniques and magnetic susceptibility measurements. Five of the complexes were resolved using (+)-cis-dichlorobis(ethylenediamine)cobalt(III) chloride, (+)-bis(glycinato)(1,10-phenanthroline)cobalt(III) chloride, and (+)-tris(1,10-phenanthroline)nickel(II) chloride as resolving agents. The antimicrobial and cytotoxic activities of these complexes were then determined. The results obtained indicated that aspartic acid and glycine coordinated in a bidentate fashion. The enantiomeric purity of the compounds was in the range of 22.10–32.10%, with (+)-cis-dichlorobis(ethylenediamine)cobalt(III) complex as the more efficient resolving agent. The resolved complexes exhibited better activity in some cases compared to the parent complexes for both biological activities. It was therefore inferred that although the increase in the lipophilicity of the complexes may assist in the permeability of the complexes through the cell membrane of the pathogens, the enantiomeric purity of the complexes is also of importance in their activity as antimicrobial and cytotoxic agents. PMID:28293149

Corrosion inhibition of mild steel in acidic media using newly synthesized heterocyclic organic molecules: Correlation between inhibition efficiency and chemical structure

Energy Technology Data Exchange (ETDEWEB)

Ouici, H. B., E-mail: ouici.houari@yahoo.fr; Guendouzi, A., E-mail: guendouzzi@yahoo.fr [Departement of Chimistry, Faculty of Sciences, University of Saïda (Algeria); Benali, O. [Department of Biology, Faculty of Science, University of Saida (Algeria)

2015-03-30

The corrosion inhibition of mild steel in 5% HCl solutions by some new synthesized organic compounds namely 3-(2-methoxyphenyl) 5-mercapto-1. 2. 4-triazole (2-MMT), 3-(3-methoxyphenyl) 5-mercapto-1. 2. 4-triazole (3-MMT) and 3-(2-hydroxyphenyl) 5-mercapto-1. 2. 4-triazole (2-HMT) was investigated using weight loss and potentiostatic polarization techniques. These measurements reveal that the inhibition efficiency obtained by these compounds increased by increasing their concentration. The inhibition efficiency follows the order 2-MMT >3-MMT >2-HMT. Polarization studies show that these compounds are of the mixed type but dominantly act as a cathodic inhibitors for mild steel in 5% HCl solutions. These inhibitors function through adsorption following Langmuir isotherm. Activation energy and Gibbs free energy for adsorption of inhibitors are calculated. Molecular modeling has been conducted to correlate the corrosion inhibition properties with the calculated quantum chemical parameters.

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.

Microanalysis on CuInSe2 compound synthesized by mechanochemical processing

International Nuclear Information System (INIS)

Wu Sumei; Xue Yuzhi; Zhang Zhihua

2010-01-01

CuInSe 2 (CIS) compound has been synthesized by mechanochemical processing (MCP) with different process parameters. The effect of milling time and different molar ratios of Cu:In:Se was investigated. The obtained materials were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) for evaluating their crystal structure, grain size, morphology and composition. Field emission transmission electron microscopy (FETEM) was used to detect the smog particles produced during the milling. The results revealed that the obtained powder was chalcopyrite CuInSe 2 and the particle size was smaller than 5 μm after milling for 60 min. The EDS analysis indicated that the smog was volatile selenium. The composition of the products deviated from those of starting materials after MCP. The mechanism about mechanically induced self-propagating reaction which occurred during milling copper, indium and selenium powders was also discussed.

In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase.

Science.gov (United States)

Taha, Muhammad; Ismail, Nor Hadiani; Imran, Syahrul; Rahim, Fazal; Wadood, Abdul; Al Muqarrabun, Laode Muhammad Ramadhan; Khan, Khalid Mohammed; Ghufran, Mehreen; Ali, Muhammad

2016-10-01

Thymidine phosphorylase (TP) is up regulated in wide variety of solid tumors and therefore presents a remarkable target for drug discovery in cancer. A novel class of extremely potent TPase inhibitors based on benzopyrazine (1-28) has been developed and evaluated against thymidine phosphorylase enzyme. Out of these twenty-eight analogs eleven (11) compounds 1, 4, 14, 15, 16, 17, 18, 19, 20, 24 and 28 showed potent thymidine phosphorylase inhibitory potentials with IC50 values ranged between 3.20±0.30 and 37.60±1.15μM when compared with the standard 7-Deazaxanthine (IC50=38.68±4.42μM). Structure-activity relationship was established and molecular docking studies were performed to determine the binding interactions of these newly synthesized compounds. Current studies have revealed that these compounds established stronger hydrogen bonding networks with active site residues as compare to the standard compound 7DX. Copyright © 2016 Elsevier Inc. All rights reserved.

Poly thiophene hydrophobic and hydrophilic compounds, silver and iodine synthesized by plasma; Compuestos hidrofobicos e hidrofilicos de politiofeno, plata y yodo sintetizados por plasma

Energy Technology Data Exchange (ETDEWEB)

Palacios, J.C.; Chavez, J.A. [IIM, UNAM, Circuito exterior, Ciudad Universitaria, 04510 Coyoacan, D.F. (Mexico); Olayo, M.G.; Cruz, G.J. [ININ, Apdo. Postal 18-1027, 11801 Mexico D.F. (Mexico)

2007-07-01

Compounds in thin films of poly thiophene with silver and poly thiophene doped with iodine and silver using splendor discharges were synthesized. It is studied the wettability of the compounds and its transport properties. It was found that the compounds can modify their hydrophilic to hydrophobic behavior controlling their surface ruggedness and the metallic content. The doped with iodine plays a fundamental paper in the modification of the ruggedness of the compounds. (Author)

Association with β-COP Regulates the Trafficking of the Newly Synthesized Na,K-ATPase*

Science.gov (United States)

Morton, Michael J.; Farr, Glen A.; Hull, Michael; Capendeguy, Oihana; Horisberger, Jean-Daniel; Caplan, Michael J.

2010-01-01

Plasma membrane expression of the Na,K-ATPase requires assembly of its α- and β-subunits. Using a novel labeling technique to identify Na,K-ATPase partner proteins, we detected an interaction between the Na,K-ATPase α-subunit and the coat protein, β-COP, a component of the COP-I complex. When expressed in the absence of the Na,K-ATPase β-subunit, the Na,K-ATPase α-subunit interacts with β-COP, is retained in the endoplasmic reticulum, and is targeted for degradation. In the presence of the Na,K-ATPase β-subunit, the α-subunit does not interact with β-COP and traffics to the plasma membrane. Pulse-chase experiments demonstrate that in cells expressing both the Na,K-ATPase α- and β-subunits, newly synthesized α-subunit associates with β-COP immediately after its synthesis but that this interaction does not constitute an obligate intermediate in the assembly of the α- and β-subunits to form the pump holoenzyme. The interaction with β-COP was reduced by mutating a dibasic motif at Lys54 in the Na,K-ATPase α-subunit. This mutant α-subunit is not retained in the endoplasmic reticulum and reaches the plasma membrane, even in the absence of Na,K-ATPase β-subunit expression. Although the Lys54 α-subunit reaches the cell surface without need for β-subunit assembly, it is only functional as an ion-transporting ATPase in the presence of the β-subunit. PMID:20801885

Deposition of newly synthesized histones: new histones H2A and H2B do not deposit in the same nucleosome with new Histones H3 and H4

International Nuclear Information System (INIS)

Jackson, V.

1987-01-01

The authors have developed procedures to study histone-histone interactions during the deposition of histones in replicating cells. Cells are labeled for 60 min with dense amino acids, and subsequently, the histones within the nucleosomes are cross-linked into an octameric complex with formaldehyde. These complexes are sedimented to equilibrium in density gradients and octamer and dioctamer complexes separated by sodium dodecyl sulfate-polyacrylamide gel electrophoresis. With reversal of the cross-link, the distribution of the individual density-labeled histones in the octamer is determined. Newly synthesized H3 and H4 deposits as a tetramer and are associated with old H2A and H2B. Newly synthesized H2A and H2B deposit as a dimer associated with old H2A, H2B, H3, and H4. The significance of these results with respect to the dynamics of histone interactions in the nucleus is discussed. Control experiments are presented to test for artifactual formation of these complexes during preparative procedures. In addition, reconstitution experiments were performed to demonstrate that the composition of these octameric complexes can be determined from their distribution of density gradients

Global transgenerational gene expression dynamics in two newly synthesized allohexaploid wheat (Triticum aestivum lines

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Qi Bao

2012-01-01

Full Text Available Abstract Background Alteration in gene expression resulting from allopolyploidization is a prominent feature in plants, but its spectrum and extent are not fully known. Common wheat (Triticum aestivum was formed via allohexaploidization about 10,000 years ago, and became the most important crop plant. To gain further insights into the genome-wide transcriptional dynamics associated with the onset of common wheat formation, we conducted microarray-based genome-wide gene expression analysis on two newly synthesized allohexaploid wheat lines with chromosomal stability and a genome constitution analogous to that of the present-day common wheat. Results Multi-color GISH (genomic in situ hybridization was used to identify individual plants from two nascent allohexaploid wheat lines between Triticum turgidum (2n = 4x = 28; genome BBAA and Aegilops tauschii (2n = 2x = 14; genome DD, which had a stable chromosomal constitution analogous to that of common wheat (2n = 6x = 42; genome BBAADD. Genome-wide analysis of gene expression was performed for these allohexaploid lines along with their parental plants from T. turgidum and Ae. tauschii, using the Affymetrix Gene Chip Wheat Genome-Array. Comparison with the parental plants coupled with inclusion of empirical mid-parent values (MPVs revealed that whereas the great majority of genes showed the expected parental additivity, two major patterns of alteration in gene expression in the allohexaploid lines were identified: parental dominance expression and non-additive expression. Genes involved in each of the two altered expression patterns could be classified into three distinct groups, stochastic, heritable and persistent, based on their transgenerational heritability and inter-line conservation. Strikingly, whereas both altered patterns of gene expression showed a propensity of inheritance, identity of the involved genes was highly stochastic, consistent with the involvement of diverse Gene Ontology (GO

Experimental and theoretical studies on tautomeric structures of a newly synthesized 2,2‧(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene))diphenol

Science.gov (United States)

Karakurt, Tuncay; Cukurovali, Alaaddin; Subasi, Nuriye Tuna; Onaran, Abdurrahman; Ece, Abdulilah; Eker, Sıtkı; Kani, Ibrahim

2018-02-01

In the present study, a single crystal of a Schiff base, 2,2‧(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene))diphenol, was synthesized. The structure of the synthesized crystal was confirmed by 1H and 13C NMR spectroscopic and X-ray diffraction analysis techniques. Experimental and theoretical studies were carried out on two tautomeric structures. It has been observed that the title compound studied can be in two different tautomeric forms, phenol-imine and keto-amine. Theoretical calculations have been performed to support experimental results. Accordingly, the geometric parameters of the compound were optimized by the density functional theory (DFT) method using the Gaussian 09 and Quantum Espresso (QE) packet program was used for periodic boundary conditions (PBC) studies. Furthermore, the compound was also tested for in vitro antifungal activity against Sclerotinia sclerotiorum, Alternaria solani, Fusarium oxysporum f. sp. lycopersici and Monilinia fructigena plant pathogens. Promising inhibition profiles were observed especially towards A. solani. Finally, molecular docking studies and post-docking procedure based on Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) were also carried out to get insight into the compound's binding interactions with the potential. Although theoretical calculations showed that the phenol-imine form was more stable, keto-amine form was predicted to have better binding affinity which was concluded to result from loss of rotational entropy in phenol-imine upon binding. The results obtained here from both experimental and computational methods might serve as a potential lead in the development of novel anti-fungal agents.

Multi-wavelength spectrophotometric determination of acidity constant of some newly synthesized Schiff bases and their QSPR study

Science.gov (United States)

Hemmateenejad, Bahram; Emami, Leila; Sharghi, Hashem

2010-01-01

The acidity constants of some newly synthesized Schiff base derivatives were determined by hard-model based multivariate data analysis of the spectrophotometric data in the course of pH-metric titration in 50% (v/v) methanol-water binary solvent. The employed data analysis method was also able to extract the pure spectra and pH-dependent concentration profiles of the acid-base species. The molecules that possess different substituents (both electron donating and withdrawing) on the ortho-, meta- and para-positions of one of the phenyl ring showed variable acidity constants ranging from 8.77 to 11.07 whereas the parent molecule had an acidity constant of 10.25. To investigate the quantitative effects of changing of substitution pattern on the acidity constant, a quantitative structure-property relation analysis was conducted using substituent constants and molecular descriptor. Some models with high statistical quality (measured by cross-validation Q2) were obtained. It was found that the acidity constant of the studied molecules in the methanol-water mixed solvent not only is affected by electronic features of the solutes but also by the lipophilic interaction between methanol part of solvent and the deprotonated solutes.

Formation of newly synthesized adeno-associated virus capsids in the cell nucleus.

Science.gov (United States)

Bell, Peter; Vandenberghe, Luk H; Wilson, James M

2014-06-01

Adeno-associated virus (AAV) particles inside the nucleus of a HEK 293 cell are shown by electron microscopy. Cells have been triple-transfected for vector production and were analyzed for capsid formation three days later. Newly assembled particle are visible as seemingly unstructured conglomerates or crystal-like arrays.

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.

Utilization of Cyanoacetohydrazide and Oxadiazolyl Acetonitrile in the Synthesis of Some New Cytotoxic Heterocyclic Compounds.

Science.gov (United States)

Shaker, Soheir A; Marzouk, Magda I

2016-01-29

A (pyridazinyl)acetate derivative was reacted with thiosemicarbazide and hydrazine hydrate to yield spiropyridazinone and acetohydrazide derivatives, respectively. The acetohydrazide derivative was used as a starting material for synthesizing some new heterocyclic compounds such as oxoindolinylidene, dimethylpyrazolyl, methylpyrazolyl, oxopyrazolyl, cyanoacetylacetohydrazide and oxadiazolylacetonitrile derivatives. The behavior of the cyanoacetylacetohydrazide and oxadiazolylacetonitrile derivatives towards nitrogen and carbon nucleophiles was investigated. The assigned structures of the prepared compounds were elucidated by spectral methods (IR, ¹H-NMR (13)C-NMR and mass spectroscopy). Some of the newly prepared compounds were tested in vitro against a panel of four human tumor cell lines, namely hepatocellular carcinoma (liver) HePG-2, colon cancer HCT-116, human prostate cancer PC3, and mammary gland breast MCF-7. Also they were tested as antioxidants. Almost all of the tested compounds showed satisfactory activity.

Fibronectin-synthesizing activity of free and membrane-bound polyribosomes from human embryonic fibroblasts and chick embryos

International Nuclear Information System (INIS)

Belkin, V.M.; Volodarskaya, S.M.

1986-01-01

The fibronectin-synthesizing activity of membrane-bound and free polyribosomes in a cell-free system was studied using immunochemical methods. It was found that fibronectin biosynthesis on membrane-bound polyribosomes from human embryonic fibroblasts accounts for 4.9% and those from 10-day-old chick embryos for 1.1% of the total amount of newly synthesized proteins, whereas on free polyribosomes it is 1.0 and 0.3%, respectively. Fibronectin monomers with a molecular weight of 220,000 were found only in the material of the cell-free system containing heavy fractions of membrane-bound polyribosomes newly synthesized in the presence of spermidine. Thus, it was shown that fibronectin is synthesized primarily on membrane-bound polyribosomes

Magnetic properties of the filled skutterudite-type structure compounds GdRu4P12 and TbRu4P12 synthesized under high pressure

OpenAIRE

Sekine, C; Uchiumi, T; Shirotani, I; Matsuhira, kazuyuki; Sakakibara, T; Goto, T; Yagi, T

2000-01-01

We have succeeded in synthesizing filled skutterudite-type structure compounds GdRu4P12 and TbRu4P12 under high pressure. The magnetic properties of GdRu4P12 and TbRu4P12 have been studied by means of electrical resistivity, magnetic susceptibility, and magnetization measurements. Magnetic experiments suggest that the Gd and Tb ions in the compounds have trivalent state. The compound GdRu4P12 displays features that suggest the occurrence of antiferromagnetic ordering below TN=22 K. In TbRu4P1...

Special syntheses of certain organic iodine compounds

International Nuclear Information System (INIS)

Henry, R.; Debuchy, D.; Junod, E.

1960-01-01

The technical difficulties encountered in working on radioactive products force us to choose the simplest methods of chemical synthesis possible. For iodine compounds, two special methods have been chosen: - by using fission recoil, we can prepare simple iodine compounds such as iodobenzene or methyl iodide in high yields and having a good degree of purity. The method consists in the irradiation of mixtures of uranium oxide and benzoic acid or ammonium acetate. The iodised product is separated by distillation, after dissolving the recoil medium in a solvent. - by isotopic exchange between the inorganic iodine of different valencies and complex molecules such as Bengal pink, and diodone, it is also possible to obtain satisfactory labelling yields. These reactions have been adapted so as to give a minimum time for isotopic exchange. In the case of Bengal pink, we have found a yield of 90 per cent after 60 minutes by exchange between Nal and the organic molecule in aqueous solution in presence of hydrogen peroxide. For diodone the method proposed by Liebster has been modified so as to reduce losses during purification. The analytical methods adopted for these different compounds are described. (author) [fr

Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds

International Nuclear Information System (INIS)

Yohannan, Jinu P.; Vidyasagar, Kanamaluru

2016-01-01

Ten AInM′S 4 (A=alkali metals, Tl; M′= Ge, Sn) compounds with diverse structure types have been synthesized and characterized by single crystal and powder X-ray diffraction and a variety of spectroscopic methods. They are wide band gap semiconductors. KInGeS 4 (1-β), RbInGeS 4 (2), CsInGeS 4 (3-β), TlInGeS 4 (4-β), RbInSnS 4 (8-β) and CsInSnS 4 (9) compounds with three-dimensional BaGa 2 S 4 structure and CsInGeS 4 (3-α) and TlInGeS 4 (4-α) compounds with a layered TlInSiS 4 structure have tetrahedral [InM′S 4 ] − frameworks. On the other hand, LiInSnS 4 (5) with spinel structure and NaInSnS 4 (6), KInSnS 4 (7), RbInSnS 4 (8-α) and TlInSnS 4 (10) compounds with layered structure have octahedral [InM′S 4 ] − frameworks. NaInSnS 4 (6) and KInSnS 4 (7) compounds undergo facile topotactic ion-exchange, at room temperature, with various mono-, di- and tri-valent cations in aqueous medium to give rise to metastable layered phases. - Graphical abstract: NaInSnS 4 and KInSnS 4 compounds undergo, in aqueous medium at room temperature, facile topotactic ion-exchange with mono, di and trivalent cations. Display Omitted - Highlights: • Ten AInM′S 4 compounds with diverse structure types were synthesized. • They are wide band gap semiconductors. • NaInSnS 4 and KInSnS 4 compounds undergo facile topotactic ion-exchange at room temperature.

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.

Fabrication of copper-selective PVC membrane electrode based on newly synthesized copper complex of Schiff base as carrier

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Sulekh Chandra

2016-09-01

Full Text Available The newly synthesized copper(II complex of Schiff base p-hydroxyacetophenone semicarbazone was explored as neutral ionophore for the fabrication of poly(vinylchloride (PVC based membrane electrode selective to Cu(II ions. The electrode shows a Nernstian slope of 29.8 ± 0.3 mV/decade with improved linear range of 1.8 × 10−7 to 1.0 × 10−1 M, comparatively lower detection limit 5.7 × 10−8 M between pH range of 2.0–8.0, giving a relatively fast response within 5s and can be used for at least 16 weeks without any divergence in potential. The selectivity coefficient was calculated using the fixed interference method (FIM. The electrode can also be used in partially non-aqueous media having up to 25% (v/v methanol, ethanol or acetone content with no significant change in the value of slope or working concentration range. It was successfully applied for the direct determination of copper content in water and tea samples with satisfactory results. The electrode has been used in the potentiometric titration of Cu2+ with EDTA.

Syntheses and structures of three f-element selenite/hydroselenite compounds

International Nuclear Information System (INIS)

Burns, Wendy L.; Ibers, James A.

2009-01-01

The selenite/hydroselenite compounds Ce(SeO 3 )(HSeO 3 ), Tb(SeO 3 )(HSeO 3 ).2H 2 O, and Cs[U(SeO 3 )(HSeO 3 )].3H 2 O were synthesized by hydrothermal means at 453 K from the reaction of CeO 2 or Tb 4 O 7 or UO 2 with SeO 2 and CsCl (as a mineralizer). Ce(SeO 3 )(HSeO 3 ) crystallizes in the non-centrosymmetric orthorhombic space group Pca2 1 . The structure comprises a two-dimensional network of interconnected CeO 10 bicapped distorted square antiprisms and SeO 3 trigonal pyramids. Tb(SeO 3 )(HSeO 3 ).2H 2 O crystallizes in the non-centrosymmetric orthorhombic space group P2 1 2 1 2 1 . The structure features a two-dimensional layer of interconnected TbO 8 distorted square antiprisms and SeO 3 trigonal pyramids. Cs[U(SeO 3 )(HSeO 3 )].3H 2 O crystallizes in the centrosymmetric monoclinic space group P2 1 /n. The structure consists of two-dimensional layers of interconnected UO 7 pentagonal bipyramids and SeO 3 trigonal pyramids. The layers in all three structures are held together by hydrogen-bonding networks. - Graphical abstract: Structure of Ce[U(SeO 3 )(HSeO 3 )].3H 2 O (Cs, purple; U, black; Se, blue; O, red; O w , green; H, gray).

Syntheses and absorption-structure relationships of some new ...

Indian Academy of Sciences (India)

New biheterocyclic compound was synthesized as starting material to prepare new photosensitizers mono-, tri-, substituted tri-, azadimethine and mixed cyanine dyes. Absorption-structure relationship of the synthesized cyanine dyes were determined by studying their electronic spectral behaviour in ethanol. The structure of ...

Synthesis of Zeolite from Fly Ash and Removal of Heavy Metal Ions from Newly Synthesized Zeolite

OpenAIRE

Solanki, Parag; Gupta, Vikal; Kulshrestha, Ruchi

2010-01-01

Coal fly ash was used to synthesize X-type zeolite by alkali fusion followed by hydrothermal treatment. Characteristics of the various Fly ash samples were carried out. Coal proximate analysis was done. Batch experiment was carried out for the adsorption of some heavy metal ions on to synthesized Zeolite. The cost of synthesized zeolite was estimated to be almost one-fifth of that of commercial 13X zeolite available in the market.

Evaluation of Volatile Organic Compounds and Carbonyl Compounds Present in the Cabins of Newly Produced, Medium- and Large-Size Coaches in China

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Yan-Yang Lu

2016-06-01

Full Text Available An air-conditioned coach is an important form of transportation in modern motorized society; as a result, there is an increasing concern of in-vehicle air pollution. In this study, we aimed to identify and quantify the levels of volatile organic compounds (VOCs and carbonyl compounds (CCs in air samples collected from the cabins of newly produced, medium- and large-size coaches. Among the identified VOCs and CCs, toluene, ethylbenzene, xylene, formaldehyde, acetaldehyde, acrolein/acetone, and isovaleraldehyde were relatively abundant in the cabins. Time was found to affect the emissions of the contaminants in the coaches. Except for benzaldehyde, valeraldehyde and benzene, the highest in-vehicle concentrations of VOCs and CCs were observed on the 15th day after coming off the assembly line, and the concentrations exhibited an approximately inverted U-shaped pattern as a function of time. Interestingly, this study also showed that the interior temperature of the coaches significantly affected the VOCs emissions from the interior materials, whereas the levels of CCs were mainly influenced by the relative humidity within the coaches. In China, guidelines and regulations for the in-vehicle air quality assessment of the coaches have not yet been issued. The results of this study provide further understanding of the in-vehicle air quality of air-conditioned coaches and can be used in the development of both specific and general rules regarding medium- and large-size coaches.

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.

Unstable structure of ribosomal particles synthesized in. gamma. -irradiated Escherichia coli

Energy Technology Data Exchange (ETDEWEB)

Fujita, H; Morita, K [National Inst. of Radiological Sciences, Chiba (Japan)

1975-06-01

Stability of Escherichia coli ribosomes newly synthesized after ..gamma..-irradiation was compared with that of normal ribosomes. The ribosomal particles around 70-S synthesized in irradiated cells were more sensitive to digestion by pancreatic ribonuclease A. A larger number of the salt-unstable '50-S' precursor particles existed in the extract from irradiated cells than in the extract from unirradiated cells. These facts suggest that ribosomal particles, synthesized during an earlier stage in irradiated cells, maintain an incomplete structure even though they are not distinguishable from normal ribosomes by means of sucrose density-gradient centrifugation.

Fused heterocyclic compounds bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 1: design, synthesis and biological evaluation of novel 5,7-disubstituted pyrazolo[1,5-a]pyrimidine derivatives.

Science.gov (United States)

Tian, Ye; Du, Deping; Rai, Diwakar; Wang, Liu; Liu, Huiqing; Zhan, Peng; De Clercq, Erik; Pannecouque, Christophe; Liu, Xinyong

2014-04-01

In our continuous efforts to identify novel potent HIV-1 NNRTIs, a novel class of 5,7-disubstituted pyrazolo[1,5-a]pyrimidine derivatives were rationally designed, synthesized and evaluated for their anti-HIV activities in MT4 cell cultures. Biological results showed that most of the tested compounds displayed excellent activity against wild-type HIV-1 with a wide range of EC50 values from 5.98 to 0.07μM. Among the active compounds, 5a was found to be the most promising analogue with an EC50 of 0.07μM against wild-type HIV-1 and very high selectivity index (SI, 3999). Compound 5a was more effective than the reference drugs nevirapine (by 2-fold) and delavirdine (by 2-fold). In order to further confirm their binding target, an HIV-1 RT inhibitory assay was also performed. Furthermore, SAR analysis among the newly synthesized compounds was discussed and the binding mode of the active compound 5a was rationalized by molecular modeling studies. Copyright © 2014 Elsevier Ltd. All rights reserved.

Synthesis and Antimicrobial Studies of New Series of Pyrazoline Bearing Bis-Heterocycles via 1,3-Dipolar Cycloaddition Reactions

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B. Jayashankara

2008-01-01

Full Text Available Biologically interesting bis-heterocycles bearing pyrazoline and imidazole moieties have been synthesized. 1H NMR, 13C NMR, IR and elemental analyses characterized the newly synthesized compounds. All the synthesized compounds were evaluated for their antimicrobial activity and were compared with the standard drugs. All the compounds demonstrated potent to weak antimicrobial activity.

Substitution of conventional high-temperature syntheses of inorganic compounds by near-room-temperature syntheses in ionic liquids

KAUST Repository

Groh, Matthias Friedrich

2013-01-01

The high-temperature syntheses of the low-valent halogenides P2I4, Te2Br, α-Te4I4, Te4(Al2Cl7)2, Te4(Bi6Cl20), Te8(Bi4Cl14),Bi8(AlCl4)2, Bi6Cl7,and Bi6Br7, as well as of WSCl4 andWOCl4 have been replaced by resource-efficient low-temperature syntheses in room temperature ionic liquids (RTILs). The simple one-pot syntheses generally do not require elaborate equipment such as twozone furnaces or evacuated silica ampoules. Compared to the published conventional approaches, reduction of reaction time (up to 80%) and temperature (up to 500 K) and, simultaneously, an increase in yield were achieved. In the majority of cases, the solid products were phase-pure. X-Ray diffraction on single crystals (redetermination of 11 crystal structures) has demonstrated that the quality of the crystals from RTILs is comparable to that of products obtained by chemical transport reactions. © 2013 Verlag der Zeitschrift für Naturforschung, Tübingen.

Hydrothermal chemistry of Th(IV) with aromatic dicarboxylates: New framework compounds and in situ ligand syntheses

International Nuclear Information System (INIS)

Ziegelgruber, Kate L.; Knope, Karah E.; Frisch, Mark; Cahill, Christopher L.

2008-01-01

A novel thorium (IV) coordination polymer, Th(C 5 H 2 N 2 O 4 ) 2 (H 2 O) 2 (1), has been prepared under the hydrothermal reaction of thorium nitrate tetrahydrate and 3,5-pyrazoledicarboxylic acid (H 3 pdc). Compound 1 (orthorhombic, P2 1 2 1 2 1 , a=6.9362(5) A, b=10.7806(8) A, c=17.9915(14) A, Z=2, R 1 =0.0210, wR 2 =0.0470) consists of thorium metal centers connected via H 3 pdc linkages to form an overall three-dimensional structure containing π-π interactions between the pyrazole rings. 2,3-Pyrazinedicarboxylic acid (H 2 pzdc) was explored as well to (1) study the effect of the location of the carboxylic groups around the aromatic ring and (2) produce heterometallic compounds. Thorium (IV) and copper (II) were combined with H 2 pzdc, resulting in an interesting decomposition reaction characterized though the isolation of Th(C 2 O 4 ) 2 (H 2 O) 2 .2H 2 O (2) (monoclinic, C2/c, a=13.8507(12) A, b=7.8719(7) A, c=10.7961(16) A, β=118.0310(10) o , Z=2, R 1 =0.0160, wR 2 =0.0349), Cu(C 6 H 2 N 2 O 4 ) (3) (monoclinic, C2/c, a=11.499(3) A, b=7.502(2) A, c=7.402(2) A, β=93.892(5) o , Z=4, R 1 =0.0472, wR 2 =0.0745) and Cu(C 5 H 3 N 2 O 2 )(NO 3 )(H 2 O) (4). The capture of these species provides mechanistic evidence for the formation of the oxalate anions observed in 2 via the decarboxylation of H 2 pzdc to yield the linker in 4: 2-pyrazinecarboxylate anions. - Graphical abstract: 3,5-Pyrazoledicarboxylic and 2,3-pyridinedicarboxylic acid were utilized in synthesizing two novel thorium (IV) coordination polymers. Attempts to synthesize a Th-Cu bimetallic compound with 2,3-pyridinedicarboxylic acid resulted in a triphasic mixture (2, 3 and 4, respectively). The oxalate anion observed in Th(C 2 O 4 ) 2 (H 2 O) 2 .2H 2 O (2) is theorized to result from decarboxylation of 2,3-pyridinedicarboxylic acid as supported by the organic linker, 2-pyrazinecarboxylate, observed in Cu(C 5 H 3 N 2 O 2 )(NO 3 )(H 2 O) (4)

New Approaches for the Synthesis, Cytotoxicity and Toxicity of Heterocyclic Compounds Derived from 2-Cyanomethylbenzo[c]imidazole.

Science.gov (United States)

Mohareb, Rafat M; Mohamed, Abeer A; Abdallah, Amira E M

2016-01-01

The reaction of ethyl cyanoacetate with o-phenylenediamine gave the 2-cyanomethylbenzo[c]imidazole (1). The latter compound was used as the key starting material to synthesise biologically active heterocyclic derivatives. Thus, the reaction of 1 with cyclohexanone and either of benzaldehyde, 4-methoxybenzaldehyde or 4-chlorobenzaldehyde gave the annulated derivatives 2a-c, respectively. The antitumor evaluations of the newly synthesized products against the three cancer cell lines MCF-7 (breast adeno-carcinoma), NCI-H460 (non-small cell lung cancer) and SF-268 (CNS cancer) showed that compounds 2b, 6, 11b, 11c, 12b, 16a, 16b and 18a exhibited optimal cytotoxic effect against cancer cell lines, with IC50 values in the nM range. Bioactive compounds are often toxic to shrimp larvae. Thus, in order to monitor these chemicals in vivo lethality to shrimp larvae (Artemia salina), Brine-Shrimp Lethality Assay was used. Compounds 11b, 12b and 16b showed no toxicity against the tested organisms.

Syntheses and crystal structure determination by X-ray powder diffraction of new compounds of Benzovesamicol

International Nuclear Information System (INIS)

Rukiah, M.; Assaad, Th.

2012-06-01

The compound 2,2,2-Trifluoro-N-(1a,2,7,7 a-tetra-hydronaphtho[2,3-b]oxiren-3-yl)- acetamide, C 1 2H 1 0F 3 NO 2 , an important precursor in the preparation of benzovesamicol analogues for the diagnosis of Alzheimers disease, was prepared by the epoxidation of 5,8-dihydronaphthalene-1-amine using 3-chloroperoxybenzoic acid. The structure was determined by X-ray powder diffraction, multinuclear NMR spectroscopy and FT-IR spectroscopy. A pair of molecules form intermolecular N- H...O hydrogen bonds, involving the amino and oxirene groups, to produce a dimer.The two racemic compounds (2RS,3RS)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4 tetrahydronaphthalene-2-ol, C 2 0H 2 5N 3 O, (I) and (2RS,3RS)-5-amino-3-[4-(3- methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalene-2-ol, C 2 1H 2 7N 3 O 2 , (II) important benzovesamicol analogues for the diagnosis of Alzheimer's disease, have been synthesized and characterized by FT-IR, and 1 H and 13 C NMR spectroscopic analyses. The crystal structures were analyses using powder diffraction as no suitable single crystal were obtained. The two compounds are racemic mixtures of enantiomers which crystallize in the monoclinic system in a centrosymmetric space group (P21/c). Crystallography, in particular powder X-ray diffraction, was pivotal in revealing that the enantio-resolution did not succeed. In two compounds, the piperazine ring has a chair conformation, while the cyclohexene ring assumes a half-chair conformation. In (I) the crystal packing is mediated by weak contacts, principally by complementary intermolecular N--H...O hydrogen bonds that connect successive molecules into a chain. Further stabilization is provided by weak C--H...N contacts and by a weak intermolecular C--H...π interaction. While in (II), the crystal packing is dominated by intermolecular O--H...N hydrogen bonding which links molecules along the c direction. (authors)

Comprehensive and Facile Synthesis of Some Functionalized Bis-Heterocyclic Compounds Containing a Thieno[2,3-b]thiophene Motif

Science.gov (United States)

Mabkhot, Yahia N.; Barakat, Assem; Al-Majid, Abdullah M.; Alshahrani, Saeed A.

2012-01-01

A comprehensive and facile method for the synthesis of new functionalized bis-heterocyclic compounds containing a thieno[2,3-b]thiophene motif is described. The hitherto unknown bis-pyrazolothieno[2,3-b]thiophene derivatives 2a–c, bis-pyridazin othieno[2,3-b]thiophene derivatives 4, bis-pyridinothieno[2,3-b]thiophene derivatives 6a,b, and to an analogous bis-pyridinothieno[2,3-b]thiophene nitrile derivatives 7 are obtained. Additionally, the novel bis-pyradazinonothieno[2,3-b]thiophene derivatives 9, and nicotinic acid derivatives 10, 11 are obtained via bis-dienamide 8. The structures of all newly synthesized compounds have been elucidated by 1H, 13C NMR, GCMS, and IR spectrometry. These compounds represent a new class of sulfur and Nitrogen containing heterocycles that should also be of interest as new materials. PMID:22408452

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

Investigation of formation constant of complex of a new synthesized ...

African Journals Online (AJOL)

The complex formation between a newly synthesized tripodal ligand and the cation Cu2+ in water and surfactant media was studied spectrophotometrically using rank annihilation factor analysis (RAFA). According to molar ratio data the stoichiometry of complexation between the ligand and the cation Cu2+ was 1:1.

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.

Newly synthesized quinazolinone HMJ-38 suppresses angiogenetic responses and triggers human umbilical vein endothelial cell apoptosis through p53-modulated Fas/death receptor signaling

Energy Technology Data Exchange (ETDEWEB)

Chiang, Jo-Hua [Department of Life Sciences, National Chung Hsing University, 250, Kuo-Kuang Road, Taichung 402, Taiwan (China); Yang, Jai-Sing [Department of Pharmacology, China Medical University, Taichung 404, Taiwan (China); Lu, Chi-Cheng [Department of Life Sciences, National Chung Hsing University, 250, Kuo-Kuang Road, Taichung 402, Taiwan (China); Hour, Mann-Jen; Chang, Shu-Jen [School of Pharmacy, China Medical University, Taichung 40402, Taiwan (China); Lee, Tsung-Han, E-mail: thlee@email.nchu.edu.tw [Department of Life Sciences, National Chung Hsing University, 250, Kuo-Kuang Road, Taichung 402, Taiwan (China); Department of Biological Science and Technology, China Medical University, 91, Hsueh-Shih Road, Taichung 404, Taiwan (China); Chung, Jing-Gung, E-mail: jgchung@mail.cmu.edu.tw [Department of Biological Science and Technology, China Medical University, 91, Hsueh-Shih Road, Taichung 404, Taiwan (China); Department of Biotechnology, Asia University, Taichung 413, Taiwan (China)

2013-06-01

The current study aims to investigate the antiangiogenic responses and apoptotic death of human umbilical vein endothelial cells (HUVECs) by a newly synthesized compound named 2-(3′-methoxyphenyl)-6-pyrrolidinyl-4-quinazolinone (HMJ-38). This work attempted to not only explore the effects of angiogenesis on in vivo and ex vivo studies but also hypothesize the implications for HUVECs (an ideal cell model for angiogenesis in vitro) and further undermined apoptotic experiments to verify the underlying molecular signaling by HMJ-38. Our results demonstrated that HMJ-38 significantly inhibited blood vessel growth and microvessel formation by the mouse Matrigel plug assay of angiogenesis, and the suppression of microsprouting from the rat aortic ring assay was observed after HMJ-38 exposure. In addition, HMJ-38 disrupted the tube formation and blocked the ability of HUVECs to migrate in response to VEGF. We also found that HMJ-38 triggered cell apoptosis of HUVECs in vitro. HMJ-38 concentration-dependently suppressed viability and induced apoptotic damage in HUVECs. HMJ-38-influenced HUVECs were performed by determining the oxidative stress (ROS production) and ATM/p53-modulated Fas and DR4/DR5 signals that were examined by flow cytometry, Western blotting, siRNA and real-time RT-PCR analyses, respectively. Our findings demonstrate that p53-regulated extrinsic pathway might fully contribute to HMJ-38-provoked apoptotic death in HUVECs. In view of these observations, we conclude that HMJ-38 reduces angiogenesis in vivo and ex vivo as well as induces apoptosis of HUVECs in vitro. Overall, HMJ-38 has a potent anti-neovascularization effect and could warrant being a vascular targeting agent in the future. - Highlights: • HMJ-38 suppresses angiogenic actions in vivo and ex vivo. • Inhibitions of blood vessel and microvessel formation by HMJ-38 are acted. • Cytotoxic effects of HUVECs occur by HMJ-38 challenge. • p53-modulated extrinsic pathway contributes to HMJ-38

Basic research on solvent extraction of actinide cations with diamide compounds

Energy Technology Data Exchange (ETDEWEB)

Sasaki, Yuji [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-11-01

Newly synthesized 4 diamide compounds were tested for solvent extraction of actinide cations. It is obvious that N,N`-dimethyl-N,N`-dihexyl-3-oxapentanediamide (DMDHOPDA) can extract Eu(III), Th(IV), U(VI), Np(V), and Am(III) into organic solvent. Other 3 diamides hardly extract actinide ions, which is supposed that the reasons come from the difference of their chemical structures. In the synergistic extraction with a diamide and thenoyltrifluoroacetone (TTA), all diamides work as a extractant. Furthermore, by examining extracted species, it was confirmed that there are 4 kinds of chemical species of actinides with diamide and TTA. Finally, the mutual separation method of actinide (III), (IV), (V) and (VI) ions by solvent extraction using DMDHOPDA and TTA were developed. (author). 147 refs.

Syntheses, structural variants and characterization of AInM′S{sub 4} (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS{sub 4} and KInSnS{sub 4} compounds

Energy Technology Data Exchange (ETDEWEB)

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

2016-06-15

Ten AInM′S{sub 4} (A=alkali metals, Tl; M′= Ge, Sn) compounds with diverse structure types have been synthesized and characterized by single crystal and powder X-ray diffraction and a variety of spectroscopic methods. They are wide band gap semiconductors. KInGeS{sub 4}(1-β), RbInGeS{sub 4}(2), CsInGeS{sub 4}(3-β), TlInGeS{sub 4}(4-β), RbInSnS{sub 4}(8-β) and CsInSnS{sub 4}(9) compounds with three-dimensional BaGa{sub 2}S{sub 4} structure and CsInGeS{sub 4}(3-α) and TlInGeS{sub 4}(4-α) compounds with a layered TlInSiS{sub 4} structure have tetrahedral [InM′S{sub 4}]{sup −} frameworks. On the other hand, LiInSnS{sub 4}(5) with spinel structure and NaInSnS{sub 4}(6), KInSnS{sub 4}(7), RbInSnS{sub 4}(8-α) and TlInSnS{sub 4}(10) compounds with layered structure have octahedral [InM′S{sub 4}]{sup −} frameworks. NaInSnS{sub 4}(6) and KInSnS{sub 4}(7) compounds undergo facile topotactic ion-exchange, at room temperature, with various mono-, di- and tri-valent cations in aqueous medium to give rise to metastable layered phases. - Graphical abstract: NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo, in aqueous medium at room temperature, facile topotactic ion-exchange with mono, di and trivalent cations. Display Omitted - Highlights: • Ten AInM′S{sub 4} compounds with diverse structure types were synthesized. • They are wide band gap semiconductors. • NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo facile topotactic ion-exchange at room temperature.

{sup 1}H and {sup 10}B NMR and MRI investigation of boron- and gadolinium-boron compounds in boron neutron capture therapy

Energy Technology Data Exchange (ETDEWEB)

Bonora, M., E-mail: marco.bonora@unipv.it [Physics Department ' A. Volta' , University of Pavia, Via Bassi 6, 27100 Pavia (Italy)] [CNISM Unit (Italy); Corti, M.; Borsa, F. [Physics Department ' A. Volta' , University of Pavia, Via Bassi 6, 27100 Pavia (Italy)] [CNISM Unit (Italy); Bortolussi, S.; Protti, N.; Santoro, D.; Stella, S.; Altieri, S. [Nuclear and Theoretical Physics Department, University of Pavia, Via Bassi 6, 27100 Pavia (Italy)] [INFN Pavia (Italy); Zonta, C.; Clerici, A.M.; Cansolino, L.; Ferrari, C.; Dionigi, P. [Surgical Sciences Department, Experimental Surgery Laboratory, University of Pavia, Pavia (Italy); Porta, A.; Zanoni, G.; Vidari, G. [Organic Chemistry Department, University of Pavia, Via Taramelli 10, 27100 Pavia (Italy)

2011-12-15

{sup 10}B molecular compounds suitable for Boron Neutron Capture Therapy (BNCT) are tagged with a Gd(III) paramagnetic ion. The newly synthesized molecule, Gd-BPA, is investigated as contrast agent in Magnetic Resonance Imaging (MRI) with the final aim of mapping the boron distribution in tissues. Preliminary Nuclear Magnetic Resonance (NMR) measurements, which include {sup 1}H and {sup 10}B relaxometry in animal tissues, proton relaxivity of the paramagnetic Gd-BPA molecule in water and its absorption in tumoral living cells, are reported.

Removal of emulsified and dissolved traces of organic compounds from industrial wastewaters using nature and synthesized (Na A and Nam) zeolites

International Nuclear Information System (INIS)

Modirshahla, N.; Tabatabaii, S.

2004-01-01

The main object of this study was to compare the natural and synthetic (Na A and Nam) zeolites as absorbents in removing emulsified and dissolved traces of organic compounds, which appear in the wastewater of power plants, refinery and petrochemical complexes. The specific objections of the work was: a) to select the best species that have the highest amount of absorption; b) to measure the rate of absorption of traces organic compounds and emulsions on the natural and synthesized zeolites; c) to establish the absorption isotherms for the organics and emulsions with selected samples; d) to select readily available regenerants, and e ) to examine the ph dependence of the process and to establish a simple and practical method to detect and to measure the pollution after the treatment process. The BOD and COD of the treated and feed waters were compared

Antifouling activity of green-synthesized 7-hydroxy-4-methylcoumarin.

Science.gov (United States)

Pérez, Miriam; García, Mónica; Ruiz, Diego; Autino, Juan Carlos; Romanelli, Gustavo; Blustein, Guillermo

2016-02-01

In the search for new environmental-friendly antifoulants for replace metallic biocides, 7-hydroxy-4-methylcoumarin was synthesized according to green chemistry procedures. This compound was characterized by current organic analysis and its antifouling properties were firstly evaluated on the bivalve Mytilus edulis platensis in the laboratory. In the second stage, a soluble matrix antifouling coating formulated with this compound was assayed in marine environment. Laboratory experiments showed that 7-hydroxy-4-methylcoumarin was effective in inhibiting both the settlement as well as the byssogenesis of mussels. In addition, after exposure time in the sea, painted panels containing this compound showed strong antifouling effect on conspicuous species of the fouling community of Mar el Plata harbor. In conclusion, green-synthesized coumarin could be a suitable antifoulant candidate for marine protective coatings. Copyright © 2015 Elsevier Ltd. All rights reserved.

Increased therapeutic efficacy of a newly synthesized tyrosinase inhibitor by solid lipid nanoparticles in the topical treatment of hyperpigmentation

Directory of Open Access Journals (Sweden)

Al-Amin M

2016-12-01

Full Text Available Md Al-Amin, Jiafu Cao, Muhammad Naeem, Hasanul Banna, Min-Soo Kim, Yunjin Jung, Hae Young Chung, Hyung Ryong Moon, Jin-Wook Yoo College of Pharmacy, Pusan National University, Busan, South Korea Abstract: Hyperpigmentation caused by melanin overproduction is a major skin disorder in humans. Inhibition of tyrosinase, a key regulator of melanin production, has been used as an effective strategy to treat hyperpigmentation. In this study, we investigated the use of solid lipid nanoparticles (SLNs as a highly effective and nontoxic means to deliver a newly synthesized potent tyrosinase inhibitor, MHY498, and to target melanocytes through the skin. MHY498-loaded SLNs (MHY-SLNs were prepared by an oil-in-water emulsion solvent-evaporation method, and their morphological and physicochemical properties were characterized. MHY-SLNs showed a prolonged drug-release profile and higher skin permeation than that of MHY solution. In an in vivo evaluation of antimelanogenic activity, MHY-SLNs showed a prominent inhibitory effect against ultraviolet B-induced melanogenesis, resulting in no change in the skin color of C57BL/6 mouse, compared with that observed in an MHY solution-treated group and an untreated control group. The antimelanogenic effect of MHY-SLNs was further confirmed through Fontana–Masson staining. Importantly, MHY-SLNs did not induce any toxic effects in the L929 cell line. Overall, these data indicate that MHY-SLNs show promise in the topical treatment of hyperpigmentation. Keywords: melanogenesis, hyperpigmentation, MHY498, solid lipid nanoparticles, skin delivery

The thermal expansion of a highly crystalline hexagonal BC2N compound synthesized under high temperature and pressure

International Nuclear Information System (INIS)

Wu Qinghua; Liu Zhongyuan; Hu Qianku; Li Hui; He Julong; Yu Dongli; Li Dongchun; Tian Yongjun

2006-01-01

The thermal expansion has been investigated for a highly crystalline hexagonal BC 2 N compound synthesized by the compression of a turbostratic B-C-N precursor with iron catalyst at the high temperature of 1500 deg. C and the high pressure of 5.5 GPa. The thermal expansion in the c direction is large and linear with an expansion coefficient of 35.86 x 10 -6 K -1 up to 1000 deg. C, while in the basal plane, the a dimension displays a slight linear contraction up to 750 deg. C with a contraction coefficient of -8.76 x 10 -7 K -1 , but above 750 deg. C a linear expansion is observed with a larger expansion coefficient of 1.52 x 10 -6 K -1

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 ...

New benzimidazoles and their antitumor effects with Aurora A kinase and KSP inhibitory activities.

Science.gov (United States)

Abd El-All, Amira S; Magd-El-Din, Asmaa A; Ragab, Fatma A F; ElHefnawi, Mahmoud; Abdalla, Mohamed M; Galal, Shadia A; El-Rashedy, Ahmed A

2015-07-01

A newly synthesized series of anticancer compounds comprising thiazolo[3,2-a]pyrimidine derivatives 6a-q bearing a benzimidazole moiety was produced via a one-pot reaction of N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-2-cyanoacetamide 5 with 2-aminothiazole and an appropriate aromatic aldehyde. Compound 7 was obtained via the reaction of 4-(1H-benzo[d]imidazol-2yl)benzenamide 1 with carbon disulphide and methyl iodide in the presence of concentrated aqueous solution of NaOH, then treated with o-phenylenediamine to give N-(4-1H-benzo[d]imidazol-2-yl)phenyl)-1H-benzo[d]imidazol-2-amine 8. The structures of the newly synthesized compounds were confirmed by analytical and spectroscopic measurements (IR, MS, and (1) H NMR). The synthesized products were screened and studied for their in vitro antitumor activity against three human cancer cell lines (namely colorectal cancer cell line HCT116, human liver cancer cell line HepG2, and human ovarian cancer cell line A2780) and their Aurora A kinase and KSP inhibitory activities. All newly synthesized compounds revealed marked results comparable with the standard drug CK0106023. The compounds 6e and 6k of the thiazolopyrimidine derivatives were the most active compounds when tested against the three cell lines in comparison with the standard drug CK0106023, and showed potent dual KSP and Aurora A kinase inhibition. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Antimalarial naphthoquinones. Synthesis via click chemistry, in vitro activity, docking to PfDHODH and SAR of lapachol-based compounds.

Science.gov (United States)

Brandão, Geraldo Célio; Rocha Missias, Franciele C; Arantes, Lucas Miquéias; Soares, Luciana Ferreira; Roy, Kuldeep K; Doerksen, Robert J; Braga de Oliveira, Alaide; Pereira, Guilherme Rocha

2018-02-10

Lapachol is an abundant prenyl naphthoquinone occurring in Brazilian Bignoniaceae that was clinically used, in former times, as an antimalarial drug, despite its moderate effect. Aiming to search for potentially better antimalarials, a series of 1,2,3-triazole derivatives was synthesized by chemical modification of lapachol. Alkylation of the hydroxyl group gave its propargyl ether which, via copper-catalyzed cycloaddition (CuAAC) click chemistry with different organic azides, afforded 17 naphthoquinonolyl triazole derivatives. All the synthetic compounds were evaluated for their in vitro activity against chloroquine resistant Plasmodium falciparum (W2) and for cytotoxicity to HepG2 cells. Compounds containing the naphthoquinolyl triazole moieties showed higher antimalarial activity than lapachol (IC 50 123.5 μM) and selectivity index (SI) values in the range of 4.5-197.7. Molecular docking simulations of lapachol, atovaquone and all the newly synthesized compounds were carried out for interactions with PfDHODH, a mitochondrial enzyme of the parasite respiratory chain that is essential for de novo pyrimidine biosynthesis. Docking of the naphthoquinonolyl triazole derivatives to PfDHODH yielded scores between -9.375 and -14.55 units, compared to -9.137 for lapachol and -12.95 for atovaquone and disclosed the derivative 17 as a lead compound. Therefore, the study results show the enhancement of DHODH binding affinity correlated with improvement of SI values and in vitro activities of the lapachol derivatives. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Synthesis and Antimicrobial Evaluation of Some New Fluoro Formazans

Directory of Open Access Journals (Sweden)

Avinash Taterao Shinde

2016-05-01

Full Text Available A series of fluoro substituted formazan derivatives has been synthesized from the salt of diazonium chloride & fluoro schiff base in pyridine. The structure of newly synthesized formazans were established based on IR, 1H NMR and mass spectral data. All the synthesized compounds were screened for their antimicrobial activity. Some of the compounds showed very good activity compared to standard drugs against all pathogenic bacteria and fungi.

Synthesis and anti-depressant evaluation of novel pyrazolone derivatives

Directory of Open Access Journals (Sweden)

Vijay Kumar Merugumolu

2016-06-01

Full Text Available Diazotization of substituted anilines with NaNO2 and concentrated hydrochloric acid at 0ºC gave the diazonium chlorides. Coupling of substituted aryl diazonium chlorides with ethyl acetoacetate in methanol gave ethyl-2-aryl-hydrazono-3-oxobutyrates (2a-h. Reaction of (2a-h with naphthoic carbohydrazide (3 gave the title compounds pyrazolone derivatives (4a-h. The newly synthesized compounds were screened for their in vivo anti-depressant activity by tail suspension test and forced swimming test. Some of the tested compounds 4f, 4g showed very good activity when compared to the standard drug imipramine. The newly synthesized compounds were characterized by physical parameters and the structures were elucidated by spectral data.

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.)

Antibacterial potential of silver nanoparticle synthesized by marine ...

African Journals Online (AJOL)

Multi resistance to antibiotics is a serious and disseminated clinical problem, common to several new compounds that block the resistance mechanism. The present study aimed at the comparative study of silver nanoparticles synthesized through actinomycetes and their antimicrobial metabolites with standard antibiotic.

Substitution of conventional high-temperature syntheses of inorganic compounds by near-room-temperature syntheses in ionic liquids

KAUST Repository

Groh, Matthias Friedrich; Mü llera, Ulrike; Ahmed, Ejaz; Rothenberger, Alexander; Ruck, Michael J.

2013-01-01

The high-temperature syntheses of the low-valent halogenides P2I4, Te2Br, α-Te4I4, Te4(Al2Cl7)2, Te4(Bi6Cl20), Te8(Bi4Cl14),Bi8(AlCl4)2, Bi6Cl7,and Bi6Br7, as well as of WSCl4 andWOCl4 have been replaced by resource-efficient low

Syntheses and in Vitro Antiplasmodial Activity of Aminoalkylated Chalcones and Analogues.

Science.gov (United States)

Wilhelm, Anke; Kendrekar, Pravin; Noreljaleel, Anwar E M; Abay, Efrem T; Bonnet, Susan L; Wiesner, Lubbe; de Kock, Carmen; Swart, Kenneth J; van der Westhuizen, Jan Hendrik

2015-08-28

A series of readily synthesized and inexpensive aminoalkylated chalcones and diarylpropane analogues (1-55) were synthesized and tested against chloroquinone-sensitive (D10 and NF54) and -resistant (Dd2 and K1) strains of Plasmodium falciparum. Hydrogenation of the enone to a diarylpropane moiety increased antiplasmodial bioactivity significantly. The influence of the structure of the amine moiety, A-ring substituents, propyl vs ethyl linker, and chloride salt formation on further enhancing antiplasmodial activity was investigated. Several compounds have IC₅₀ values similar to or better than chloroquine (CQ). The most active compound (26) had an IC₅₀ value of 0.01 μM. No signs of resistance were detected, as can be expected from compounds with structures unrelated to CQ and other currently used antimalarial drugs. Toxicity tests (in vitro CHO cell assay) gave high SI indices.

Microwave Assisted Synthesis of Some New Heterocyclic Spiro-Derivatives with Potential Antimicrobial and Antioxidant Activity

Directory of Open Access Journals (Sweden)

Mohamed Mohamed Youssef

2010-12-01

Full Text Available Homophthalic anhydride reacts with different aromatic amines to produce N-substituted homophthalimides. Bromination of the latter produces 4,4-dibromo-homophthalimide derivatives that can be used as precursors for spiro-derivatives. The dibromo derivatives react with different binucleophilic reagents to produce several spiro-isoquinoline derivatives. Reaction of the dibromo derivatives with malononitrile produces dicyanomethylene derivatives which react with different binucleophiles to produce new spiro-derivatives. Structures of the newly synthesized compounds are proved using spectroscopic methods such as IR, 1H-NMR and 13C-NMR. The newly synthesized compounds were tested for their antimicrobial and antioxidant activities, showing weak or no antimicrobial activity. On the other hand select compounds showed promising antioxidant activities.

Surface defect free growth of a spin dimer TlCuCl{sub 3} compound crystals and investigations on its optical and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Ryu, Gihun, E-mail: G.Ryu@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart (Germany); Son, Kwanghyo [Max Planck Institute for Intelligent Systems, Heisenbergstraße 3, 70569 Stuttgart (Germany)

2016-05-15

A defect-free high quality single crystal of spin dimer TlCuCl{sub 3} compound is firstly synthesized at the optimal growth temperature using the vertical Bridgman method. In this study, we clearly found that the cupric chloride is easily decomposed into the Cl{sup −} deficient composition at ≥470 °C. The Cl{sup −}- related gas phase at the high temperature region also always gives rise to a pinhole-like surface defect at the surface of crystal. Therefore, we clearly verified an exotic anisotropic magnetic behavior (anisotropic ratio of M{sub b}/M{sub (201)} at 2 K, 7 T=10) using the defect-free TlCuCl{sub 3} crystals in this three-dimensional spin dimer TlCuCl{sub 3} compound, relatively stronger magnetic ordering in the H//b than that of H//(201) direction at above the transition magnetic field. - Graphical abstract: A single crystal of spin dimer TlCuCl{sub 3} compound with a defect free is successfully synthesized on the basis of TG/DTA result. We newly found that this cupric chloride compound is easily decomposed into the Cl{sup −} deficient composition at ≥470 °C and Cl{sup −} related gas phases also give rise to the defects like a pinhole on the surface of TlCuCl{sub 3} crystal. Using the crystals with a surface defect free, we also clearly verified the crystal structure of spin dimer TlCuCl{sub 3} compound.

Synthesis of New Thiazole Derivatives Bearing A Sulfonamide Moiety Of Expected Anticancer And Radiosensitizing Activities

International Nuclear Information System (INIS)

Mohamed, S.Sh.I.

2012-01-01

In a search for new cytotoxic agents with improved antitumor activity and selectivity, some new pyrano thiazole and thiazolopyranopyrimidine derivatives bearing sulfonamide moiety were synthesized. The newly synthesized compounds were evaluated for their antitumor activity alone and in combination with γ-irradiation. These new compounds were docked inside the active site of carbonic anhydrase II to predict their mechanism of action.

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)

Nanoscale grain growth behaviour of CoAl intermetallic synthesized ...

Indian Academy of Sciences (India)

Grain growth behaviour of the nanocrystalline CoAl intermetallic compound synthesized by mechanical alloying has been studied by isothermal annealing at different temperatures and durations. X-ray diffraction method was employed to investigate structural evolutions during mechanical alloying and annealing processes.

Nanoscale grain growth behaviour of CoAl intermetallic synthesized ...

Indian Academy of Sciences (India)

Administrator

Abstract. Grain growth behaviour of the nanocrystalline CoAl intermetallic compound synthesized by mechanical alloying has been studied by isothermal annealing at different temperatures and durations. X-ray diffraction method was employed to investigate structural evolutions during mechanical alloying and anneal-.

Mitochondrial nucleoid clusters protect newly synthesized mtDNA during Doxorubicin- and Ethidium Bromide-induced mitochondrial stress

Energy Technology Data Exchange (ETDEWEB)

Alán, Lukáš, E-mail: lukas.alan@fgu.cas.cz; Špaček, Tomáš; Pajuelo Reguera, David; Jabůrek, Martin; Ježek, Petr

2016-07-01

Mitochondrial DNA (mtDNA) is compacted in ribonucleoprotein complexes called nucleoids, which can divide or move within the mitochondrial network. Mitochondrial nucleoids are able to aggregate into clusters upon reaction with intercalators such as the mtDNA depletion agent Ethidium Bromide (EB) or anticancer drug Doxorobicin (DXR). However, the exact mechanism of nucleoid clusters formation remains unknown. Resolving these processes may help to elucidate the mechanisms of DXR-induced cardiotoxicity. Therefore, we addressed the role of two key nucleoid proteins; mitochondrial transcription factor A (TFAM) and mitochondrial single-stranded binding protein (mtSSB); in the formation of mitochondrial nucleoid clusters during the action of intercalators. We found that both intercalators cause numerous aberrations due to perturbing their native status. By blocking mtDNA replication, both agents also prevented mtDNA association with TFAM, consequently causing nucleoid aggregation into large nucleoid clusters enriched with TFAM, co-existing with the normal nucleoid population. In the later stages of intercalation (> 48 h), TFAM levels were reduced to 25%. In contrast, mtSSB was released from mtDNA and freely distributed within the mitochondrial network. Nucleoid clusters mostly contained nucleoids with newly replicated mtDNA, however the nucleoid population which was not in replication mode remained outside the clusters. Moreover, the nucleoid clusters were enriched with p53, an anti-oncogenic gatekeeper. We suggest that mitochondrial nucleoid clustering is a mechanism for protecting nucleoids with newly replicated DNA against intercalators mediating genotoxic stress. These results provide new insight into the common mitochondrial response to mtDNA stress and can be implied also on DXR-induced mitochondrial cytotoxicity. - Highlights: • The mechanism for mitochondrial nucleoid clustering is proposed. • DNA intercalators (Doxorubicin or Ethidium Bromide) prevent TFAM

Degradation of dibenzofuran via multiple dioxygenation by a newly isolated Agrobacterium sp. PH-08.

Science.gov (United States)

Le, T T; Murugesan, K; Nam, I-H; Jeon, J-R; Chang, Y-S

2014-03-01

To demonstrate the biodegradation of dibenzofuran (DF) and its structural analogs by a newly isolated Agrobacterium sp. PH-08. To assess the biodegradation potential of newly isolated Agrobacterium sp. PH-08, various substrates were evaluated as sole carbon sources in growth and biotransformation experiments. ESI LC-MS/MS analysis revealed the presence of angular degrading by-products as well as lateral dioxygenation metabolites in the upper pathway. The metabolites in the lower pathway also were detected. In addition, the cometabolically degraded daughter compounds of DF-related compounds such as BP and dibenzothiophene (DBT) in dual substrate degradation were observed. Strain PH-08 exhibited the evidence of meta-cleavage pathway as confirmed by the activity and gene expression of catechol-2,3-dioxygenase. Newly isolated bacterial strain, Agrobacterium sp. PH-08, grew well with and degraded DF via both angular and lateral dioxygenation as demonstrated by metabolites identified through ESI LC-MS/MS and GC-MS analyses. The other heterocyclic pollutants were also cometabolically degraded. Few reports have described the complete degradation of DF by a cometabolic lateral pathway. Our study demonstrates the novel results that the newly isolated strain utilized the DF as a sole carbon source and mineralized it via multiple dioxygenation. © 2013 The Society for Applied Microbiology.

Design and Syntheses of Novel Fluoroporphyrin-Anthraquinone Complexes as Antitumor Agents.

Science.gov (United States)

Yang, Gu-Liang; Zhao, Sheng-Fang; Chen, Nian-You; Li, Shiming

2016-01-01

A novel fluoroporphyrin-anthraquinone hybrid with dipeptide link and its metal complexes were synthesized and evaluated for anti-proliferation activity in human cancer cell line HeLa. The preliminary results demonstrated that all the compounds showed moderate to excellent antitumor activities. Among the active compounds, compound 3 which contains fluorinated porphyrin-anthraquinone and zinc ion exhibited the highest potency with IC50 value of 8.83 µM, indicating that it was a promising antitumor candidate.

The fate and role of macromolecules synthesized during mammalian oocyte meiotic maturation. I. Autoradiographic topography of newly synthesized RNA and protein in the germinal vesicle of the pig and rabbit

International Nuclear Information System (INIS)

Motlik, J.; Kopecny, V.; Pivko, J.

1978-01-01

Pig and rabbit oocytes were cytoautoradiographically checked for their synthetic activities during meiotic maturation. Tritiated uridine and lysine or 35 S-methionine were introduced into the culture medium in which the oocytes were maintained either immediately at the beginning of the germinal vesicle breakdown in vitro or after reaching a more advanced stage of this process in vitro or in vivo. Some oocytes were maintained thereafter in a cold medium to trace the metabolism of the labelled protein. In addition to uridine- 3 H incorporation into the nucleolus and nucleoplasm, during pig oocyte maturation it was found that an intensive RNA synthesis site appeared in association with condensing chromocentres of the GV II. A considerable proportion of oocytes from slaughterhouse material did not show intensive GV activity in RNA synthesis during maturation in vitro. In the pig and rabbit oocyte it was shown that the newly synthesized 3 H-lysine-labelled protein accumulated to a high degree in the GV and in the nucleolus. The labelled protein accumulated in the GV up to the stage of GV IV (pig) and persisted during the chase period in the ooplasm; it was found to be associated with chromosomes of metaphase I (pig) or metaphase II (rabbit) of the meiotic division. The process of protein accumulation in the GV was not influenced by meiotic arrest during oocyte culture in autologous follicular fluid. A similar accumulation of the label in the GV was detected in oocytes which were cultured in a medium enriched by 35 S-methionine. In some oocytes the labelled protein failed to accumulate in the nucleolar area during maturation in vitro

Effects of a newly developed potent orexin-2 receptor-selective antagonist Compound1m on sleep/wake states in mice

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Keishi eEtori

2014-01-01

Full Text Available Orexins (also known as hypocretins, which are hypothalamic neuropeptides, play critical roles in the regulation of sleep/wakefulness states by activating two G-protein coupled receptors (GPCRs, orexin 1 (OX1R and orexin 2 receptors (OX2R. In order to know the difference between effects of OX2R-selective antagonists (2-SORA and dual orexin receptor antagonists (DORA, and to understand the mechanisms underlying orexin-mediated regulation of sleep/wakefulness states, we examined the effects of a newly developed 2-SORA, Compound 1m (C1m, and a DORA, suvorexant, on sleep/wakefulness states in C57BL/6J mice. After oral administration in the dark period, both C1m and suvorexant exhibited potent sleep-promoting properties with similar efficacy in a dose-dependent manner. While C1m did not increase NREM and REM sleep episode durations, suvorexant induced longer episode durations of NREM and REM sleep as compared with both the vehicle- and C1m-administered groups. When compounds were injected during light period, C1m did not show a significant change in sleep/wakefulness states in the light period, whereas suvorexant slightly but significantly increased the sleep time. We also found that C1m did not affect the time of REM sleep, while suvorexant markedly increased it. This suggests that although OX1R-mediated pathway plays a pivotal role in promoting wakefulness, OX1R-mediated pathway also plays an additional role. OX1R-mediated pathway also plays a role in suppression of REM sleep. Fos-immunostaining showed that both compounds affected the activity of arousal-related neurons with different patterns. These results suggest partly overlapping and partly distinct roles of orexin receptors in the regulation of sleep/wakefulness states.

Biological Screening of Newly Synthesized BIAN N-Heterocyclic Gold Carbene Complexes in Zebrafish Embryos

Science.gov (United States)

Farooq, Muhammad; Abu Taha, Nael; Butorac, Rachel R.; Evans, Daniel Anthony; Elzatahry, Ahmed A.; Elsayed, Elsayed Ahmed; Wadaan, Mohammad A. M.; Al-Deyab, Salem S.; Cowley, Alan H.

2015-01-01

N-Heterocyclic carbene (NHC) metal complexes possess diverse biological activities but have yet to be extensively explored as potential chemotherapeutic agents. We have previously reported the synthesis of a new class of NHC metal complexes N-heterocyclic with acetate [IPr(BIAN)AuOAc] and chloride [IPr(BIAN)AuCl] ligands. In the experiments reported herein, the zebrafish embryos were exposed to serial dilutions of each of these complexes for 10–12 h. One hundred percent mortality was observed at concentrations ≥50 µM. At sub-lethal concentrations (10–30 µM), both compounds influenced zebrafish embryonic development. However, quite diverse categories of abnormalities were found in exposed embryos with each compound. Severe brain deformation and notochord degeneration were evident in the case of [IPr(BIAN)AuOAc]. The zebrafish embryos treated with [IPr(BIAN)AuCl] exhibited stunted growth and consequently had smaller body sizes. A depletion of 30%–40% glutathione was detected in the treated embryos, which could account for one of the possible mechanism of neurotoxicity. The fact that these compounds are capable of both affecting the growth and also compromising antioxidant systems by elevating intracellular ROS production implies that they could play an important role as a new breed of therapeutic molecules. PMID:26501273

Synthesis and antitumor evaluation of some new N4 substituted sulfa pyridine derivatives with studying the synergistic effect of γ-irradiation

International Nuclear Information System (INIS)

Elsaid Agha, H.M.S.

2011-01-01

The aim of the present investigation is to synthesize a new class of N 4 substituted sulfa pyridine derivatives with anticipated cytotoxic activity. All the newly synthesized compounds were screened for their in-vitro cytotoxic activity against breast cancer cell line (MCF-7) compared to the reference drug Doxorubicin. Also the synergism of the most potent synthesized compounds with γ- radiation was studied. Moreover, a molecular docking study was carried out by docking the most active synthesized compounds in the active site of Cyclin Dependent Kinase 2 receptor to assess their inhibitory effect upon this enzyme as this may have a role in their anticancer activity.

Solid-phase extraction of the alcohol abuse biomarker phosphatidylethanol using newly synthesized polymeric sorbent materials containing quaternary heterocyclic groups.

Science.gov (United States)

Duarte, Mariana; Jagadeesan, Kishore Kumar; Billing, Johan; Yilmaz, Ecevit; Laurell, Thomas; Ekström, Simon

2017-10-13

Phosphatidylethanol (PEth) is an interesting biomarker finding increased use for detecting long term alcohol abuse with high specificity and sensitivity. Prior to detection, sample preparation is an unavoidable step in the work-flow of PEth analysis and new protocols may facilitate it. Solid-phase extraction (SPE) is a versatile sample preparation method widely spread in biomedical laboratories due to its simplicity of use and the possibility of automation. In this work, SPE was used for the first time to directly extract PEth from spiked human plasma and spiked human blood. A library of polymeric SPE materials with different surface functionalities was screened for PEth extraction in order to identify the surface characteristics that control PEth retention and recovery. The plasma samples were diluted 1:10 (v/v) in water and spiked at different concentrations ranging from 0.3 to 5μM. The library of SPE materials was then evaluated using the proposed SPE method and detection was done by LC-MS/MS. One SPE material efficiently retained and recovered PEth from spiked human plasma. With this insight, four new SPE materials were formulated and synthesized based on the surface characteristics of the best SPE material found in the first screening. These new materials were tested with spiked human blood, to better mimic a real clinical sample. All the newly synthetized materials outperformed the pre-existing commercially available materials. Recovery values for the new SPE materials were found between 29.5% and 48.6% for the extraction of PEth in spiked blood. A material based on quaternized 1-vinylimidazole with a poly(trimethylolpropane trimethacrylate) backbone was found suitable for PEth extraction in spiked blood showing the highest analyte recovery in this experiment, 48.6%±6.4%. Copyright © 2017 Elsevier B.V. All rights reserved.

A biotechnological approach for the development of new antifungal compounds to protect the environment and the human health

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Claudia Zani

2015-11-01

Full Text Available Background. In the Po Valley aflatoxins play a relevant role: the local food economy is heavily based on cereal cultivations for animal feed and human nutrition. Aims of this project are the identification of new compounds that inhibit Aspergillus proliferation, the development of new inhibitors of aflatoxins production, and the set-up a practical screening procedure to identify the most effective and safe compounds. Design and Methods. New compounds will be synthetized with natural origin molecules as ligands and endogenous metal ions to increase their bioavailability for the fungi as metal complexes. A biotechnological high-throughput screening will be set up to identify efficiently the most powerful substances. The newly synthesized compounds with effective antifungal activities, will be evaluated with battery of tests with different end-points to assess the toxic potential risk for environmental and human health. Expected impact of the study for public health. The fundamental step in the project will be the synthesis of new compounds and the study of their capability to inhibit aflatoxin biosynthesis. A new, simple, inexpensive and high-throughput method to screen the anti-fungine and anti-mycotoxin activity of the new synthesised compounds will be applied. The evaluation of possible risks for humans due to toxic and genotoxic activities of the molecules will be made with a new approach using different types of cells (bacteria, plants and human cells.

Design, Synthesis, Fluorescence Properties and Antibacterial Activities of New 8-Chloro-3-Alkyl-3H-Pyrazolo[4,3-a]acridine-11-Carbonitriles

Energy Technology Data Exchange (ETDEWEB)

Rahmani, Zeynab; Pordel, Mehdi; Davoodnia, Abolghasem [Islamic Azad Univ., Mashhad (Iran, Islamic Republic of)

2014-02-15

The treatment of alkylated nitro derivatives of indazole with 2-(4-chlorophenyl)acetonitrile under basic conditions gave the new 8-chloro-3-alkyl-3H-pyrazolo[4,3-a]acridine-11-carbonitriles via the nucleophilic substitution of hydrogen which proceeds at room temperature with concomitant cyclisation in fairly good yields. The structures of all newly synthesized compounds were confirmed by IR, {sup 1}H NMR, {sup 13}C NMR and mass spectral data. Fluorescence experimental results of all newly synthesized compounds revealed remarkable photoluminescence properties and strong green fluorescence properties. Also, the new compounds exhibited potent antibacterial activity and their antibacterial activity (MIC) against Gram positive (Staphylococcuse aureus methicillin resistant S. aureus and Bacillus subtilis) and negative bacterial (Pseudomonas aeruginosa and Escherichia coli) species were determined.

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.

Organic compounds generated after the flow of water through micro-orifices: Were they synthesized?

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Tomiichi Hasegawa

2017-08-01

organic compounds are synthesized from nonorganic matter in air or CO2 dissolved in water by the action of hydroxyl radicals generated by flows through micro-orifices.

Synthesis and Application of Polymeric Fluorescent Compounds Based on Coumarin

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Guojun Liu

2015-06-01

Full Text Available In this work, a multifunctional yellowing inhibitor was synthesized by the Pechmann method. In order to obtain the target compound, 7-hydroxy-4-methyl coumarin was prepared by using the raw materials of resorcinol and ethyl acetoacetate, with toluene-p-sulfonic acid as the catalyst. New polymeric fluorescent compounds were synthesized by connecting the 7-hydroxy-4-methyl coumarin, the hindered amine light stabilizer 4-amion-2,2,6,6-tetramentylniperidine, and a series of polyethylene glycol segments into the same molecule with cyanuric chloride as a bridge. The structures of the synthesized molecules were confirmed by FT-IR, 1H NMR, and elemental analysis. The luminescent properties of the fluorescent compounds were studied by UV-vis spectroscopy and fluorescence spectroscopy. The integration effect between the fluorescent compounds and paper was tested by a scanning electron microscope. The light stability effect on the paper sheet was tested using an ultraviolet aging apparatus. The results indicate that the polymeric fluorescent compounds had a positive effect on the light stability of the high-yield pulp.

Computer Based Design and Synthesis of Some Novel Thiazole Derivatives Bearing a Sulfonamide Moiety and Studying Their Potential Synergistic Anticancer Effect With γ-Irradiation

International Nuclear Information System (INIS)

Soliman, A.M.M.

2011-01-01

In a search for new cytotoxic agents with improved antitumor activity and selectivity, some new thiazole, thiazolo pyrimidine, thiazolo pyrane and thiazolo pyrano pyrimidine derivatives bearing sulfonamide moiety were synthesized. The newly synthesized compounds were evaluated for their antitumor activity alone and in combination with γ-irradiation. These new compounds were docked inside the active site of carbonic anhydrase II to predict their mechanism of action.

X-Ray Diffraction of Intermetallic Compounds: A Physical Chemistry Laboratory Experiment

Science.gov (United States)

Varberg, Thomas D.; Skakuj, Kacper

2015-01-01

Here we describe an experiment for the undergraduate physical chemistry laboratory in which students synthesize the intermetallic compounds AlNi and AlNi3 and study them by X-ray diffractometry. The compounds are synthesized in a simple one-step reaction occurring in the solid state. Powder X-ray diffractograms are recorded for the two compounds…

In vitro studies of immunoglobulin heavy-chain binding protein (BiP, GRP78). Interactions of BiP with newly synthesized proteins and adenine nucleotides

International Nuclear Information System (INIS)

Kassenbrock, C.K.

1988-01-01

Here we examine the interaction of BiP with newly synthesized polypeptides in an in vitro protein translations-translocation system. We find that BiP forms tight complexes with nonglycosylated yeast invertase and incorrectly disulfide-bonded prolactin but not with glycosylated invertase or correctly disulfide-bonded prolactin. Moreover, BiP associates detectably only with completed chains of prolactin, not with chains undergoing synthesis. We conclude that BiP recognizes and binds with high affinity to aberrantly folded or aberrantly glycosylated polypeptides in vitro, but not to all nascent chains as they are folding. BiP also binds APT and can be purified by APT affinity chromatography. We show that submicromolar levels of ATP or ADP decrease the rate of absorption of 125 I-BiP to nitrocellulose filters coated with protein or nonionic detergents. ATP and ADP also protect portions of BiP from proteolytic degradation. In contrast, micromolar levels of AMP increase the rate of adsorption and the rate of proteolytic degradation of BiP. We also show that an ATPase activity co-purifies with BiP, but its slow turnover number suggests a regulatory, rather than a functional role. The BiP-associated ATPase shares several properties with the related cytoplasmic protein, HSC70/clathrin uncoating ATPase

Microwave assisted synthesis of some new coumarin-pyrazoline hybrids and their antimicrobial activity

OpenAIRE

Ashok Dongamanti; Lakshmi Bommidi Vijaya; Ravi Sidda; Ganesh Arram

2015-01-01

A series of pyrazolines 4a-g have been synthesized by Michael addition of chalcones 3a-g with hydrazine hydrate in presence of sodium acetate under conventional heating and microwave irradiation. Structures of the newly synthesized chalcones 3a-g and pyrazolines 4a-g have been established on the basis of IR, 1H & 13C NMR and mass spectral data. All the synthesized compounds were screened for their antimicrobial activity. Some of the compounds shown very goo...

Synthesis, physical-chemical and biological properties of 1,8-disubstituted compounds of theobromine. III. 8-Amino-p-chlorobenzyltheobromines

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D. G. Ivanchenko

2014-08-01

-radicaloxidation. For the initial screening study of the newly-synthesized substances benchmark testing-cultures of both gram-positive and gram-negative bacteria have been used, which belong to clinically significant groups of infectious agents which are differing by their morpho-physiological properties,. Results and their discussion. Through the reaction of 8-bromo-1-p-chlorobenzyltheobromine with secondary heterocyclic amines (pyrrolidine, morpholine, hexamethylenimine, piperidine and its derivatives in cellosolve environment a range of 8-heteryle-substituted (2-7 has been obtained which was not described earlier. All the obtained compounds satisfy to the Lipinski's ‘rule of five’, which proves the viability of further research activities. The application of ACD/Percepta Platform has allowed to calculate the absorption characteristics, permeability via blood-brain barrier, as well as establish probable transport forms of blood of the synthesized compounds. Assisted by computer programs GUSAR and ACD / Percepta Platform, further on there has been calculated the acute toxicity rate for rats and mice. Among the synthesized substances, 8-(hexahydroazepin-1-yl-1-p-chlorobenzyltheobromine (6 has appeared to be the most active antioxidant, being more active than tiotriazolini while ranking below the ascorbic acid as per this indicator. It has beenfound, that among the synthesized 8-aminosubstituted 1-p-chlorobenzyltheobromine there is no evidence of prospective compounds with antibacterial activity in reference to E. coli, S. aureus and P. aeruginosa. Conclusion. There have been developed available laboratory-based methods for the synthesis of 8-aminosubstituted 1-p-chlorobenzyltheobromine, the structure of which has been proved by data obtained from elemental analysis and NMR- spectroscopy. Molecular (LogP, TPSA, A and pharmaceutical (Pe, Ka, PPB, LogKaHSA, LogPS, LogPB, Log(PS*fu descriptors have been calculated for forecasting the properties of obtained substances. Acute toxicity

LW-214, a newly synthesized flavonoid, induces intrinsic apoptosis pathway by down-regulating Trx-1 in MCF-7 human breast cells.

Science.gov (United States)

Pan, Di; Li, Wei; Miao, Hanchi; Yao, Jing; Li, Zhiyu; Wei, Libin; Zhao, Li; Guo, Qinglong

2014-02-15

In this study, the anticancer effect of LW-214, a newly synthesized flavonoid, against MCF-7 human breast cancer cells and the underlying mechanisms were investigated. LW-214 triggered the mitochondrial apoptotic pathway by increasing Bax/Bcl-2 ratio, loss of mitochondrial membrane potential (ΔΨm) and caspase-9 activation, degradation of poly (ADP-ribose) polymerase (PARP), cytochrome c (Cyt c) release and apoptosis-inducing factor (AIF) transposition. Further research revealed that both the reactive oxygen species (ROS) generation and the apoptosis signal regulating kinase 1 (ASK1) activation by LW-214 were induced by down-regulating the thioredoxin-1 (Trx-1) expression. The ROS elevation and ASK1 activation induced a sustained phosphorylation of c-Jun N-terminal kinase (JNK), while SP600125, as known as JNK inhibitor, almost reversed LW-214-induced apoptosis in MCF-7 cells. Overexpression of Trx-1 in MCF-7 cells attenuated LW-214-mediated apoptosis as well as the JNK activation and reversed the expression of mitochondrial apoptosis-related protein. Accordingly, the in vivo study showed that LW-214 exhibited a potential antitumor effect in BALB/c species mice inoculated MCF-7 tumor with low systemic toxicity, and the mechanism was the same as in vitro study. Taken together, these findings indicated that LW-214 may down-regulated Trx-1 function, causing intracellular ROS generation and releasing the ASK1, and lead to JNK activation, which consequently induced the mitochondrial apoptosis in vitro and in vivo. Copyright © 2013 Elsevier Inc. All rights reserved.

Synthesis and antioxidant activity study of pyrazoline carrying arylfuran/thiophene moiety

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Jois Vidyashree H.S.

2014-01-01

Full Text Available A novel series of N-acetyl-3-aryl-5-(5-(p/o-nitrophenyl-2-arylfuryl/thienyl substituted pyrazoline (3a-o were synthesized by the reaction of 1-aryl-3-(5-(p/o-nitrophenyl-2-furyl/thienyl-2-propene-1-one with hydrazine hydrate in acetic acid medium. The structures of the newly synthesized compounds were established by IR, 1H NMR, mass spectra and single crystal X-ray study. The synthesized compounds were subjected to antioxidant activity using DPPH scavenging assay. The compounds 3a, 3f, 3h and 3o showed moderate activity.

Synthesis and antimicrobial screening of novel 2-(5-(4-(allyloxy-3-methoxyphenyl-1H-pyrazol-3-ylphenols analogues of 2-(4-(allyloxy-3-methoxyphenyl-4H-chromen-4-ones

Directory of Open Access Journals (Sweden)

Asha V. Chate

2012-01-01

Full Text Available A series of novel 2-(5-(4-(allyloxy-3-methoxyphenyl-1H-pyrazol-3-ylphenols derivatives have been synthesized via the ring opening of 2-(4-(allyloxy-3-methoxyphenyl-4H-chromen-4-ones in ethanol and hydrazine hydrate under reflux condition. The synthesized compounds were screened for antibacterial and antifungal activity against bacteria Staphylococcus aureus (MRSA E710 and Escherichia coli (ATCC 25922 and fungi Candida albicans and Aspergillus fumigates respectively. Some of the tested compounds showed significant antimicrobial activity. 1H NMR, IR, Mass spectral data and elemental analysis elucidated the structures of the all newly synthesized compounds.

Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material.

Science.gov (United States)

Zhao, Xin; Wang, Cai-Zhuang; Kim, Minsung; Ho, Kai-Ming

2017-12-04

Fe-cluster-based crystal structures are predicted for chalcogenides Fe 3 X 4 (X = S, Se, Te) using an adaptive genetic algorithm. Topologically different from the well-studied layered structures of iron chalcogenides, the newly predicted structures consist of Fe clusters that are either separated by the chalcogen atoms or connected via sharing of the vertex Fe atoms. Using first-principles calculations, we demonstrate that these structures have competitive or even lower formation energies than the experimentally synthesized Fe 3 X 4 compounds and exhibit interesting magnetic and electronic properties. In particular, we show that Fe 3 Te 4 can be a good candidate as a rare-earth-free permanent magnet and Fe 3 S 4 can be a magnetic nodal-line topological material.

Olefination of carbonyl compounds: modern and classical methods

Energy Technology Data Exchange (ETDEWEB)

Korotchenko, V N; Nenajdenko, Valentine G; Balenkova, Elizabeth S [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation); Shastin, Aleksey V [Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region (Russian Federation)

2004-10-31

The published data on the methods for alkene synthesis by olefination of carbonyl compounds are generalised and systematised. The main attention is given to the use of transition metals and organoelement compounds. The review covers the data on both classical and newly developed methods that are little known to chemists at large.

Olefination of carbonyl compounds: modern and classical methods

Science.gov (United States)

Korotchenko, V. N.; Nenajdenko, Valentine G.; Balenkova, Elizabeth S.; Shastin, Aleksey V.

2004-10-01

The published data on the methods for alkene synthesis by olefination of carbonyl compounds are generalised and systematised. The main attention is given to the use of transition metals and organoelement compounds. The review covers the data on both classical and newly developed methods that are little known to chemists at large.

EVALUATION OF THE ANTIMICROBIAL EFFECTS OF NEW HETEROCYCLIC BIS-QUATERNARY AMMONIUM COMPOUNDS ON BIOFILMS

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OANA E. CONSTANTIN

2016-07-01

Full Text Available Considering the well-known mechanism of adaptable resistance of microorganisms to chemical compounds through biofilms formation and the widespread use of N-heterocyclic quaternary ammonium salts (QAC as disinfectants, in this study we have evaluate the effect of 8 newly synthesized symmetrical and unsymmetrical diquaternary ammonium salts of 1,2-bis-(4-pyridil-ethane on bacterial biofilms produced by three different bacterial strains. The effect of the exposure to quaternary ammonium salts on biofilm communities was investigated within biofilms obtained in a conventional testing system, on stainless steel and glass surfaces. Differential plate counts were used to characterize the developed communities and the effects of QAC exposure and the results were correlated with epifluorescence microphotographs. The data obtained revealed a significant reduction of bacterial cells in the biofilms tested with 4-7 log CFU for all the QAC.

A Physicochemical and Pharmacological Study of the Newly Synthesized Complex of Albendazole and the Polysaccharide Arabinogalactan from Larch Wood.

Science.gov (United States)

Chistyachenko, Yulia S; Meteleva, Elizaveta S; Pakharukova, Maria Y; Katokhin, Aleksey V; Khvostov, Mikhail V; Varlamova, Anastasiya I; Glamazdin, Igor I; Khalikov, Salavat S; Polyakov, Nikolay E; Arkhipov, Ivan A; Tolstikova, Tatyana G; Mordvinov, Viatcheslav A; Dushkin, Alexander V; Lyakhov, Nikolay Z

2015-01-01

Inclusion complexes of albendazole (ABZ) with the polysaccharide arabinogalactan from larch wood Larix sibirica and Larix gmelinii were synthesized using a solid-state mechanochemical technology. We investigated physicochemical properties of the synthesized complexes in the solid state and in aqueous solutions as well as their anthelmintic activity against Trichinella spiralis, Hymenolepis nаna, Fasciola hepatica, Opisthorchis felineus, and mixed nematodoses of sheep. Formation of the complexes was demonstrated by means of intrinsic solubility and the NMR relaxation method. The mechanochemically synthesized complexes were more stable in comparison with the complex produced by mixing solutions of the components. The complexes of ABZ showed anthelmintic activity at 10-fold lower doses than did free ABZ. The complexes also showed lower acute toxicity and hepatotoxicity. These results suggest that it is possible to design new drugs on the basis of the ABZ:arabinogalactan complex that are safer and more effective than albendazole.

Certification of butyltins and phenyltins in marine sediment certified reference material by species-specific isotope-dilution mass spectrometric analysis using synthesized {sup 118}Sn-enriched organotin compounds

Energy Technology Data Exchange (ETDEWEB)

Inagaki, Kazumi; Takatsu, Akiko; Watanabe, Takuro; Aoyagi, Yoshie; Yarita, Takashi; Okamoto, Kensaku; Chiba, Koichi [National Institute of Advanced Industrial Science and Technology (AIST), Environmental Standard Section, National Metrology Institute of Japan (NMIJ), Tsukuba, Ibaraki (Japan)

2007-04-15

A new marine sediment certified reference material, NMIJ CRM 7306-a, for butyltin and phenyltin analysis has been prepared and certified by the National Metrological Institute of Japan at the National Institute of Advanced Industrial Science and Technology (NMIJ/AIST). Candidate sediment material was collected at a bay near industrial activity in Japan. After air-drying, sieving, and mixing the material was sterilized with {gamma}-ray irradiation. The material was re-mixed and packaged into 250 glass bottles (15 g each) and these were stored in a freezer at -30 C. Certification was performed by use of three different types of species-specific isotope-dilution mass spectrometry (SSID-MS) - SSID-GC-ICP-MS, SSID-GC-MS, and SSID-LC-ICP-MS, with {sup 118}Sn-enriched organotin compounds synthesized from {sup 118}Sn-enriched metal used as a spike. The {sup 118}Sn-enriched mono-butyltin (MBT), dibutyltin (DBT), and tributyltin (TBT) were synthesized as a mixture whereas the {sup 118}Sn-enriched di-phenyltin (DPhT) and triphenyltin (TPhT) were synthesized individually. Four different extraction methods, mechanical shaking, ultrasonic, microwave-assisted, and pressurized liquid extraction, were adopted to avoid possible analytical bias caused by non-quantitative extraction and degradation or inter-conversion of analytes in sample preparations. Tropolone was used as chelating agent in all the extraction methods. Certified values are given for TBT 44{+-}3 {mu}g kg{sup -1} as Sn, DBT 51 {+-} 2 {mu}g kg{sup -1} as Sn, MBT 67 {+-} 3 {mu}g kg{sup -1} as Sn, TPhT 6.9 {+-} 1.2 {mu}g kg{sup -1} as Sn, and DPhT 3.4 {+-} 1.2 {mu}g kg{sup -1} as Sn. These levels are lower than in other sediment CRMs currently available for analysis of organotin compounds. (orig.)

Newly developed chitosan-silver hybrid nanoparticles: biosafety and apoptosis induction in HepG2 cells

International Nuclear Information System (INIS)

El-Sherbiny, Ibrahim M.; Salih, Ehab; Yassin, Abdelrahman M.; Hafez, Elsayed E.

2016-01-01

The present study reports the biosafety assessment, the exact molecular effects, and apoptosis induction of newly developed chitosan-silver hybrid nanoparticles (Cs–Ag NPs) in HepG2 cells. The investigated hybrid NPs were green synthesized using Cs/grape leaves aqueous extract (Cs/GLE) or Cs/GLE NPs as reducing and stabilizing agents. The successful formation of Cs/GLE NPs and Cs–Ag hybrid NPs has been confirmed by UV–Vis spectrophotometry, FTIR spectroscopy, XRD, and HRTEM. From the TEM analysis, the prepared Cs/GLE NPs are uniform and spherical with an average size of 150 nm, and the AgNPs (5–10 nm) were formed mainly on their surface. The UV–Vis spectra of Cs–Ag NPs showed a surface plasmon resonance (SPR) peak at about 450 nm confirming their formation. The synthesized Cs–Ag NPs were found to be crystalline as shown by XRD patterns with fcc phase oriented along the (111), (200), (220), and (311) planes. The cytotoxicity patterns, the antiproliferative activities, and the possible mechanisms of anticancer activity at molecular level of the newly developed Cs–Ag hybrid NPs were investigated. Cytotoxicity patterns of all the preparations demonstrated that the nontoxic treatment concentrations are ranged from 0.39 to 50 %, and many of the newly prepared Cs–Ag hybrid NPs showed high anticancer activities against HpG2 cells, and induced cellular apoptosis by downregulating BCL2 gene and upregulating P53.Graphical Abstract

Newly developed chitosan-silver hybrid nanoparticles: biosafety and apoptosis induction in HepG2 cells

Energy Technology Data Exchange (ETDEWEB)

El-Sherbiny, Ibrahim M., E-mail: ielsherbiny@Zewailcity.edu.eg; Salih, Ehab [Zewail City of Science and Technology, Center for Materials Science (Egypt); Yassin, Abdelrahman M. [Genetic Engineering and Biotechnology Research Institute, City of Scientific Research and Technology Applications, Biopharmaceutical Product Research Department (Egypt); Hafez, Elsayed E. [City of Scientific Research and Technology Applications, Plant Protection and Biomolecular Diagnosis Department (Egypt)

2016-07-15

The present study reports the biosafety assessment, the exact molecular effects, and apoptosis induction of newly developed chitosan-silver hybrid nanoparticles (Cs–Ag NPs) in HepG2 cells. The investigated hybrid NPs were green synthesized using Cs/grape leaves aqueous extract (Cs/GLE) or Cs/GLE NPs as reducing and stabilizing agents. The successful formation of Cs/GLE NPs and Cs–Ag hybrid NPs has been confirmed by UV–Vis spectrophotometry, FTIR spectroscopy, XRD, and HRTEM. From the TEM analysis, the prepared Cs/GLE NPs are uniform and spherical with an average size of 150 nm, and the AgNPs (5–10 nm) were formed mainly on their surface. The UV–Vis spectra of Cs–Ag NPs showed a surface plasmon resonance (SPR) peak at about 450 nm confirming their formation. The synthesized Cs–Ag NPs were found to be crystalline as shown by XRD patterns with fcc phase oriented along the (111), (200), (220), and (311) planes. The cytotoxicity patterns, the antiproliferative activities, and the possible mechanisms of anticancer activity at molecular level of the newly developed Cs–Ag hybrid NPs were investigated. Cytotoxicity patterns of all the preparations demonstrated that the nontoxic treatment concentrations are ranged from 0.39 to 50 %, and many of the newly prepared Cs–Ag hybrid NPs showed high anticancer activities against HpG2 cells, and induced cellular apoptosis by downregulating BCL2 gene and upregulating P53.Graphical Abstract.

Design and syntheses of novel N-(benzothiazol-5-yl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione and N-(benzothiazol-5-yl)isoindoline-1,3-dione as potent protoporphyrinogen oxidase inhibitors.

Science.gov (United States)

Jiang, Li-Li; Zuo, Yang; Wang, Zhi-Fang; Tan, Yin; Wu, Qiong-You; Xi, Zhen; Yang, Guang-Fu

2011-06-08

Discovery of protoporphyrinogen oxidase (PPO, EC 1.3.3.4) inhibitors has been one of the hottest research areas in the field of herbicide development for many years. As a continuation of our research work on the development of new PPO-inhibiting herbicides, a series of novel N-(benzothiazol-5-yl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-diones (1a-p) and N-(benzothiazol-5-yl)isoindoline-1,3-diones (2a-h) were designed and synthesized according to the ring-closing strategy of two ortho-substituents. The bioassay results indicated that some newly synthesized compounds exhibited higher PPO inhibition activity than the control of sulfentrazone. Compound 1a, S-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenzothiazol-2-yl) O-methyl carbonothioate, was identified as the most potent inhibitor with k(i) value of 0.08 μM, about 9 times higher than that of sulfentrazone (k(i) = 0.72 μM). Further green house assay showed that compound 1b, methyl 2-((5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenzothiazol-2-yl)thio)acetate, exhibited herbicidal activity comparable to that of sulfentrazone even at a concentration of 37.5 g ai/ha. In addition, among six tested crops, wheat exhibited high tolerance to compound 1b even at a dosage of 300 g ai/ha. These results indicated that compound 1b might have the potential to be developed as a new herbicide for weed control of wheat field.

1-(4-(6-Fluorobenzo [d] isoxazol-3-yl) piperidin-1-yl)-2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl) ethanone: Synthesis, spectroscopic characterization, Hirshfeld surface analysis, cytotoxic studies and docking studies

Science.gov (United States)

Govindhan, M.; Viswanathan, V.; Karthikeyan, S.; Subramanian, K.; Velmurugan, D.

2017-08-01

Compound 1-(4-(6-fluorobenzo[d] isoxazol-3-yl) piperidin-1-yl)-2-(4-(hydroxymethyl)-1H-1, 2,3-triazol-1-yl) ethanone was synthesized in good yield by using click chemistry approach with 2-azido-1-(4-(6-flurobenzo[d]isooxazol-3-yl)piperidin-1-yl)ethanone as a starting material. The synthesized compound was characterized using IR, NMR and MS studies. Thermal stability of the compound was analyzed by using TGA and DSC technique. The single crystal XRD analysis was taken part, to confirm the structure of the compound. The intercontacts in the crystal structure are analyzed using Hirshfeld surfaces computational method. Cytotoxicity of the synthesized compound was evaluated and the results were reported. The binding analysis carried out between the newly synthesized molecule with human serum albumin using fluorescence spectroscopy technique to understand the pharmacokinetics nature of the compound for further biological application. The molecular docking studies were evaluated for the compound to elucidate insights of new molecules in carrier protein.

Syntheses and pyrolytic studies of salicylate derivatives of ...

African Journals Online (AJOL)

New salicylate derivatives of heteronucleic-μ-oxoisopropoxide [SnO2AlB(OPri)4] 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(OPri)4-n(RSAL)n] (where n is 1-2 and ...

Antioxidant study of biaryls synthesized in the presence of Aliquat-336 activated by ultrasound

Directory of Open Access Journals (Sweden)

khemais Said

2016-05-01

Full Text Available In this work we describe the study of some Suzuki coupling reactions of an aryl halide with arylboronic acids. The reaction yields obtained were increased through sonochemical activation and in the presence of a phase transfer catalyst for a very short period of time. The isolated products obtained are of a high purity. In this context, we propose the reaction mechanisms for these reactions in the presence of a catalyst. Synthesized compounds were screened for theirantioxidant activity with 1,1-diphenyl-2-picrylhydrazyl (DPPH, ferric reducing power (FRP assay and ferrous ion chelating (FIC methods. It was found that Biaryls synthesized compounds showed appreciate antioxidant activity.

Natural compounds with herbicidal activity

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Mariano Fracchiolla

2007-12-01

Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

Natural compounds with herbicidal activity

Directory of Open Access Journals (Sweden)

Pasquale Montemurro

2011-02-01

Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

Evolutionary selection of enzymatically synthesized semiconductors from biomimetic mineralization vesicles.

Science.gov (United States)

Bawazer, Lukmaan A; Izumi, Michi; Kolodin, Dmitriy; Neilson, James R; Schwenzer, Birgit; Morse, Daniel E

2012-06-26

The way nature evolves and sculpts materials using proteins inspires new approaches to materials engineering but is still not completely understood. Here, we present a cell-free synthetic biological platform to advance studies of biologically synthesized solid-state materials. This platform is capable of simultaneously exerting many of the hierarchical levels of control found in natural biomineralization, including genetic, chemical, spatial, structural, and morphological control, while supporting the evolutionary selection of new mineralizing proteins and the corresponding genetically encoded materials that they produce. DNA-directed protein expression and enzymatic mineralization occur on polystyrene microbeads in water-in-oil emulsions, yielding synthetic surrogates of biomineralizing cells that are then screened by flow sorting, with light-scattering signals used to sort the resulting mineralized composites differentially. We demonstrate the utility of this platform by evolutionarily selecting newly identified silicateins, biomineralizing enzymes previously identified from the silica skeleton of a marine sponge, for enzyme variants capable of synthesizing silicon dioxide (silica) or titanium dioxide (titania) composites. Mineral composites of intermediate strength are preferentially selected to remain intact for identification during cell sorting, and then to collapse postsorting to expose the encoding genes for enzymatic DNA amplification. Some of the newly selected silicatein variants catalyze the formation of crystalline silicates, whereas the parent silicateins lack this ability. The demonstrated bioengineered route to previously undescribed materials introduces in vitro enzyme selection as a viable strategy for mimicking genetic evolution of materials as it occurs in nature.

MICROWAVE-ASSISTED SYNTHESIS OF SOME NITRO ...

African Journals Online (AJOL)

The structure of newly synthesized compounds was confirmed by IR, ... synthesized some 5(6)-nitro benzimidazoles and their salicyl and isatin Schiff bases, which are ..... triazole, thiadiazole, oxadiazole, and morpholine rings. Chem. .... Yilmaz, F.; Menteşe, E. Synthesis and characterisation of some coumarin-1,2,4-triazol-3-.

Microwave assisted synthesis of some new coumarin-pyrazoline hybrids and their antimicrobial activity

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Ashok Dongamanti

2015-01-01

Full Text Available A series of pyrazolines 4a-g have been synthesized by Michael addition of chalcones 3a-g with hydrazine hydrate in presence of sodium acetate under conventional heating and microwave irradiation. Structures of the newly synthesized chalcones 3a-g and pyrazolines 4a-g have been established on the basis of IR, 1H & 13C NMR and mass spectral data. All the synthesized compounds were screened for their antimicrobial activity. Some of the compounds shown very good activity compared to standard drugs against all pathogenic bacteria and fungi.

Quinolone Amides as Antitrypanosomal Lead Compounds with In Vivo Activity.

Science.gov (United States)

Hiltensperger, Georg; Hecht, Nina; Kaiser, Marcel; Rybak, Jens-Christoph; Hoerst, Alexander; Dannenbauer, Nicole; Müller-Buschbaum, Klaus; Bruhn, Heike; Esch, Harald; Lehmann, Leane; Meinel, Lorenz; Holzgrabe, Ulrike

2016-08-01

Human African trypanosomiasis (HAT) is a major tropical disease for which few drugs for treatment are available, driving the need for novel active compounds. Recently, morpholino-substituted benzyl amides of the fluoroquinolone-type antibiotics were identified to be compounds highly active against Trypanosoma brucei brucei Since the lead compound GHQ168 was challenged by poor water solubility in previous trials, the aim of this study was to introduce structural variations to GHQ168 as well as to formulate GHQ168 with the ultimate goal to increase its aqueous solubility while maintaining its in vitro antitrypanosomal activity. The pharmacokinetic parameters of spray-dried GHQ168 and the newly synthesized compounds GHQ242 and GHQ243 in mice were characterized by elimination half-lives ranging from 1.5 to 3.5 h after intraperitoneal administration (4 mice/compound), moderate to strong human serum albumin binding for GHQ168 (80%) and GHQ243 (45%), and very high human serum albumin binding (>99%) for GHQ242. For the lead compound, GHQ168, the apparent clearance was 112 ml/h and the apparent volume of distribution was 14 liters/kg of body weight (BW). Mice infected with T. b. rhodesiense (STIB900) were treated in a stringent study scheme (2 daily applications between days 3 and 6 postinfection). Exposure to spray-dried GHQ168 in contrast to the control treatment resulted in mean survival durations of 17 versus 9 days, respectively, a difference that was statistically significant. Results that were statistically insignificantly different were obtained between the control and the GHQ242 and GHQ243 treatments. Therefore, GHQ168 was further profiled in an early-treatment scheme (2 daily applications at days 1 to 4 postinfection), and the results were compared with those obtained with a control treatment. The result was statistically significant mean survival times exceeding 32 days (end of the observation period) versus 7 days for the GHQ168 and control treatments

Nitrile-synthesizing enzyme: Gene cloning, overexpression and application for the production of useful compounds.

Science.gov (United States)

Kumano, Takuto; Takizawa, Yuko; Shimizu, Sakayu; Kobayashi, Michihiko

2016-09-12

One of the nitrile-synthesizing enzymes, β-cyano-L-alanine synthase, catalyzes β-cyano-L-alanine (β-CNAla) from potassium cyanide and O-acetyl-L-serine or L-cysteine. We have identified this enzyme from Pseudomonas ovalis No. 111. In this study, we cloned the β-CNAla synthase gene and expressed it in Escherichia coli and Rhodococcus rhodochrous. Furthermore, we carried out co-expression of β-CNAla synthase with nitrilase or nitrile hydratases in order to synthesize aspartic acid and asparagine from KCN and O-acetyl-L-serine. This strategy can be used for the synthesis of labeled amino acids by using a carbon-labeled KCN as a substrate, resulting in an application for positron emission tomography.

Synthesis and characterization of a ferrous compound material obtained by combustion of ferroboron and ferrotitanium mixtures

International Nuclear Information System (INIS)

Bejar, M.A; Fuenzalida, J.L

2008-01-01

A ferrous compound material was synthesized in this work, by the air auto-combustion of mixtures of powdered ferroboron and ferrotitanium, compacted under pressures of 79 and 93 MPa and preheated to a temperature of about 1000 o C. The synthesized compounds were characterized by XRD analysis, and macro and micro-hardness tests. The formation of titanium diboride was found in all the synthesized test pieces (au)

Prediction of intermetallic compounds

International Nuclear Information System (INIS)

Burkhanov, Gennady S; Kiselyova, N N

2009-01-01

The problems of predicting not yet synthesized intermetallic compounds are discussed. It is noted that the use of classical physicochemical analysis in the study of multicomponent metallic systems is faced with the complexity of presenting multidimensional phase diagrams. One way of predicting new intermetallics with specified properties is the use of modern processing technology with application of teaching of image recognition by the computer. The algorithms used most often in these methods are briefly considered and the efficiency of their use for predicting new compounds is demonstrated.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

In the present investigation, a series of bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline analogues were synthesized and characterized by IR,NMR(1H and 13) and mass spectra.All newly synthesized 15 compounds were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra in ...

Microwave-assisted synthesis of some nitro-benzimidazoles and their salicyl and isatin Schiff bases

Directory of Open Access Journals (Sweden)

F. Yılmaz

2017-11-01

Full Text Available A series of 5-nitrosubstituted benzimidazole and 6-nitro substituted benzimidazole derivatives were synthesized starting from iminoester hydrochloride and 4-nitro-o-phenylenediamine under microwave irradiation. The structure of newly synthesized compounds was confirmed by IR, 1H-NMR, 13C-NMR, LC-MS spectroscopy and elemental analysis.

Synthesis of deuterium-labelled compounds for FOTEK project

International Nuclear Information System (INIS)

Joergensen, O.; Egsgaard, H.; Larsen, E.

1996-01-01

In the FoTech project there have been utilized labelled compounds of stable isotopes as internal standards. Some of these compounds are commercially available ( 13 C-labelled PCB congeners, 13 C-labelled diethylstilbestrol for determination of anabolic steroids). Others, like D 9 -clenbuterol, D 3 -clenbuterol, D 3 -zeramol and D 3 -dimetridazol have been synthesized. General aspects of deuterium compounds labelling are considered. (EG)

Design and syntheses of mono and multivalent mannosyl-lipoconjugates for targeted liposomal drug delivery.

Science.gov (United States)

Štimac, Adela; Cvitaš, Jelena TrmĿiĿ; Frkanec, Leo; Vugrek, Oliver; Frkanec, Ruža

2016-09-10

Multivalent mannosyl-lipoconjugates may be of interest for glycosylation of liposomes and targeted drug delivery because the mannose specifically binds to C-type lectin receptors on the particular cells. In this paper syntheses of two types of novel O-mannosides are presented. Conjugates 1 and 2 with a COOH- and NH2-functionalized spacer and the connection to a lysine and FmocNH-PEG-COOH, are described. The coupling reactions of prepared intermediates 6 and 4 with a PEGylated-DSPE or palmitic acid, respectively, are presented. Compounds 5, mono-, 8, di- and 12, tetravalent mannosyl-lipoconjugates, were synthesized. The synthesized compounds were incorporated into liposomes and liposomal preparations featuring exposed mannose units were characterized. Carbohydrate liposomal quartz crystal microbalance based assay has been established for studying carbohydrate-lectin binding. It was demonstrated that liposomes with incorporated mannosyl-lipoconjugates were effectively recognized by Con A and have great potential to be used for targeted liposomal drug delivery systems. Copyright © 2016 Elsevier B.V. All rights reserved.

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)].

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.

Synthesis and structural characterization of actinide oxalate compounds

International Nuclear Information System (INIS)

Tamain, C.

2011-01-01

Oxalic acid is a well-known reagent to recover actinides thanks to the very low solubility of An(IV) and An(III) oxalate compounds in acidic solution. Therefore, considering mixed-oxide fuel or considering minor actinides incorporation in ceramic fuel materials for transmutation, oxalic co-conversion is convenient to synthesize mixed oxalate compounds, precursors of oxide solid solutions. As the existing oxalate single crystal syntheses are not adaptable to the actinide-oxalate chemistry or to their manipulation constrains in gloves box, several original crystal growth methods were developed. They were first validate and optimized on lanthanides and uranium before the application to transuranium elements. The advanced investigations allow to better understand the syntheses and to define optimized chemical conditions to promote crystal growth. These new crystal growth methods were then applied to a large number of mixed An1(IV)-An2(III) or An1(IV)-An2(IV) systems and lead to the formation of the first original mixed An1(IV)-An2(III) and An1(IV)-An2(IV) oxalate single crystals. Finally thanks to the first thorough structural characterizations of these compounds, single crystal X-ray diffraction, EXAFS or micro-RAMAN, the particularly weak oxalate-actinide compounds structural database is enriched, which is essential for future studied nuclear fuel cycles. (author) [fr

Nano magnetic solid phase extraction for preconcentration of lead ions in environmental samples by a newly synthesized reagent.

Science.gov (United States)

Golshekan, Mostafa; Shariati, Shahab

2013-01-01

In this study, magnetite nanoparticles with particle size lower than 47 nm were synthesized and were applied for preconcentration of Pb2+ ions from aqueous solutions. To preconcentrate the Pb2+ ions, the surface of the synthesized nano particles was modified with sodium dodecyl sulfate (SDS) as an anionic surfactant. A new chelating agent (2-((E)-2-amino-4,5-dinitrophenylimino)methyl)phenol) was synthesized and used to form a very stable complex with Pb2+ ions. The lead ions formed complexes and were quantitatively extracted with SDS-coated magnetite nanoparticles. After magnetic separation of adsorbent, the adsorbent was eluted with 0.5% (v/v) HC1 in dimethyl sulfoxide (DMSO) prior to analysis by flame atomic absorption spectrometry (FAAS). Orthogonal array design (OAD) was used to study and optimize the different experimental parameters. Under the optimum conditions, enhancement factor up to 63.5 was achieved for extraction from only 10 mL of sample solution and the relative standard deviation (RSD %) of the method was lower than 2.8%. The obtained calibration curve was linear in the range of 1-300 pg L-' with reasonable linearity (r2 > 0.998). The limit of detection (LOD) based on S/N = 3 was 0.04 microg L(-1) for 10 mL sample volumes. Finally, applicability of the proposed method was successfully confirmed by preconcentration and determination of trace amounts of lead ions in environmental samples and satisfactory results were obtained.

Comparison on Bactericidal and Cytotoxic Effect of Silver Nanoparticles Synthesized by Different Methods

Science.gov (United States)

Mala, R.; Celsia, A. S. Ruby; Malathi Devi, S.; Geerthika, S.

2017-08-01

Biologically synthesized silver nanoparticle are biocompatible for medical applications. The present work is aimed to synthesize silver nanoparticle using the fruit pulp of Tamarindusindica and to evaluate its antibacterial and anticancer activity against lung cancercell lines. Antibacterial activity was assessed by well diffusion method. Cytotoxicity was evaluated using MTT assay. GC-MS of fruit pulp extract showed the presence of levoglucosenone, n-hexadecanoic acid, 9,12-octadecadienoic acid etc. Antioxidant activity of the fruit pulp was determined by DPPH assay, hydrogen peroxide scavenging assay and lipid peroxidation. The size of biologically synthesized silver nanoparticle varied from 50 nm to 76 nm. It was 59 nm to 98 nm for chemically synthesized silver nanoparticle. Biologically synthesized silver nanoparticle showed 26 mm inhibition zone against E. coli and chemically synthesized silver nanoparticle showed 20 mm. Antioxidant activity of fruit extract by DPPH showed 84 % reduction. The IC 50 of biologically synthesized silver nanoparticle against lung cancer cell lines was 48 µg/ml. It was 95 µg/ml for chemically synthesized silver nanoparticle. The increased activity of biologically synthesized silver nanoparticle was due to its smaller size, stability and the bioactive compounds capping the silver nanoparticle extracted from the fruit extract.

Longitudinal trends and subgroup analysis in publication patterns for preclinical data of newly approved drugs.

Science.gov (United States)

Köster, Ursula; Nolte, Ingo; Michel, Martin C

2016-02-01

Having observed a large variation in the number and type of original preclinical publications for newly registered drugs, we have explored whether longitudinal trends and/or factors specific for certain drugs or their manufacturers may explain such variation. Our analysis is based on 1954 articles related to 170 newly approved drugs. The number of preclinical publications per compound declined from a median of 10.5 in 1991 to 3 in 2011. A similar trend was observed for the number of in vivo studies in general, but not in the subset of in vivo studies in animal models of disease. The percentage of compounds with studies using isolated human cells or cell lines almost doubled over time from 37 to 72%. Number of publications did not exhibit major differences between compounds intended for human versus veterinary use, therapeutic areas, small molecules versus biologicals, or innovator versus follow-up compounds; however, some companies may publish fewer studies per compound than others. However, there were qualitative differences in the types of models being used depending on the therapeutic area; specifically, compounds for use in oncology very often used isolated cells and cell lines, often from human origin. We conclude that the large variation in number and type of reported preclinical data is not easily explained. We propose that pharmaceutical companies should consistently provide a comprehensive documentation of the preclinical data they generate as part of their development programs in the public domain to enable a better understanding of the drugs they intend to market.

Attempts to Synthesize 3-acyl-4-hydroxycoumarins from Meldrum’s acid -- and Related Chemistry

OpenAIRE

Ye, Fengbin; Tropp, Kristin; Yu, Yiting

2007-01-01

We start our synthetic work with the acylation of Meldrum’s acid to get three different 5-acyl Meldrum’s acids. These compounds are attacked by various nucleophiles containing different hetero atoms to obtain β-ketoesters, β-ketoamides and the corresponding β-keto-phosphorus compounds respectively. New β-ketoamides could be synthesized and characterized. The reaction of acylated Meldrum’s acid and diphenylphosphine did not lead to the expected β-keto-phosphide compound, but the resulting prod...

Synthesis and Antimicrobial Activity of Some Novel Substituted Piperazinyl-quinazolin-3(4H-ones

Directory of Open Access Journals (Sweden)

N. M. Raghavendra

2008-01-01

Full Text Available Several substituted-quinazolin-3(4H-ones were synthesized by condensation of 2-chloro-N-(4-oxo-substituted-quinazolin-3(4H-yl-acetamides with various substituted piperazines through single step reaction. Elemental analysis, IR, 1HNMR and mass spectral data confirmed the structure of the newly synthesized compounds. Synthesized quinazolin-4-one derivatives were investigated for their antibacterial and antifungal activities.

Transport, Thermal, and Magnetic Properties of YbNi3X9 (X = Al, Ga): A Newly Synthesized Yb-Based Kondo Lattice System

Science.gov (United States)

Yamashita, Tetsuro; Miyazaki, Ryoichi; Aoki, Yuji; Ohara, Shigeo

2012-03-01

We have succeeded in synthesizing a new Yb-based Kondo lattice system, YbNi3X9 (X = Al, Ga). Our study reveals that YbNi3Al9 shows typical features of a heavy-fermion antiferromagnet with a Néel temperature of TN = 3.4 K. All of the properties reflect a competition between the Kondo effect and the crystalline electric field (CEF) effect. The moderate heavy-fermion state leads to an enhanced Sommerfeld coefficient of 100 mJ/(mol\\cdotK2), even if ordered antiferromagnetically. On the other hand, the isostructural gallide YbNi3Ga9 is an intermediate-valence system with a Kondo temperature of TK = 570 K. A large hybridization scale can overcome the CEF splitting energy, and a moderately heavy Fermi-liquid ground state with high local moment degeneracy should form at low temperatures. Note that the quality of single-crystalline YbNi3X9 is extremely high compared with those of other Yb-based Kondo lattice compounds. We conclude that YbNi3X9 is a suitable system for investigating the electronic structure of Yb-based Kondo lattice systems from a heavy-fermion system with an antiferromagnetically ordered ground state to an intermediate-valence system.

Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

International Nuclear Information System (INIS)

Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping

2014-01-01

Four alkaline-earth coordination polymers, [Ba(Pzdc)(H 2 O)] n (1), [Ba(Pzdc)] n (2), [AgSr(Pzdc)(NO 3 )(H 2 O)] n (3), [Ag 2 Ca(Pzdc) 2 (H 2 O)] n (4) (H 2 Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba 2 O 11 N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H 2 O)] n (1), [Ba(Pzdc)] n (2), [AgSr(Pzdc)(NO 3 )(H 2 O)] n (3), [Ag 2 Ca(Pzdc) 2 (H 2 O)] n (4) (H 2 Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2

Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties

Energy Technology Data Exchange (ETDEWEB)

Tang Sifu; Pan Xiaobo; Lv Xiaoxia [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Zhao Xuebo, E-mail: zhaoxb@qibebt.ac.cn [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China)

2013-01-15

A new multifunctionalized phosphoric acid, (2-(diphosphonomethylamino)nicotinic acid, Py(COOH)(NHCH--(PO{sub 3}H{sub 2}){sub 2}), H{sub 5}L{sup 1}), has been employed as ligand for the construction of new metal phosphonates. By reacting it with different metal chlorides under hydrothermal condition, three new transition metal phosphonates, namely, [Co{sub 2}(HL{sup 1})(H{sub 2}O){sub 5}][H{sub 2}O]{sub 3} (1), Zn(H{sub 3}L{sup 1}) (2) and [Cd(H{sub 3}L{sup 1})(H{sub 2}O){sub 2}][H{sub 2}O] (3) were successfully obtained. The single-crystal structure measurements indicated that the coordination mode of ligand H{sub 5}L{sup 1} is metal-dependant and results in different structures. For compound 1, it features 2D layered structure. Whereas compounds 2 and 3 have 1D chain structures. Under the excitation of 250 nm light, both compounds 2 and 3 show intraligand and ligand to metal charge transfer (LMCT) emission bands at about 415 and 420 nm, respectively. Magnetic study shows that compound 1 displays antiferromagnetic behavior. - Graphical abstract: Three new metal phosphonates were synthesized from a multifunctionalized phosphonate ligand and different metal chlorides. Their structures, thermal stabilities, luminescent and magnetic properties were characterized. Highlights: Black-Right-Pointing-Pointer Three new metal phosphonates were synthesized under hydrothermal conditions. Black-Right-Pointing-Pointer Compound 1 exhibits 2D layered structure. Black-Right-Pointing-Pointer Compounds 2 and 3 have 1D infinite chain structures. Black-Right-Pointing-Pointer Compound 1 displays antiferromagnetic behavior. Black-Right-Pointing-Pointer Compounds 2 and 3 show intraligand and ligand to metal charge transfer emission bands.

Preparation and properties of organo(acetylacetonato)antimony(V) compounds

NARCIS (Netherlands)

Meinema, H.A.; Noltes, J.G.

Organo(acetylacetonato)antimony(V) compounds of the types R2SbCl2Acac, R4SbAcac, PhSbCl3Acac and Cl4SbAcac have been synthesized. The compounds are monomeric in solution. IR and PMR data of these compounds, which contain a chelated Acac ligand have been discussed. Ph2SbCl2Acac shows abnormal

Radiosensitization of high-Z compounds by medium-energy 160 kV vs. high-energy 6 MV X-rays for radiation therapy: Theoretical, in vitro and in vivo studies of platinum compounds activating glioma F98 cancer cells

Science.gov (United States)

Lim, S.; Pradhan, A.; Nahar, S.; Montenegro, M.; Barth, R.; Nakkula, R.; Turro, C.

2013-03-01

Energy dependence of X-ray irradiation of high-Z compounds for enhanced radiosensitization is explored thoeretically and via in vitro and in vivo experiments. The cell killing ability of medium-energy X-rays from 160 kV source are found to be more effective than 6 MV X-rays in activating high-Z contrast agents. Results are presented for a newly synthesized Pt compound, Pyridine Terpyridine Pt(II) Nitrate ([Pt(typ)(py)]) and carboplatin in treating F98 rat glioma. In-vitro results show considerable reduction in cell viability for radiosensitized cells irradiated with a 160 kV irradiator. Cells treated with 6 MV LINAC radiation find little variation with radiation dose. Maximum dose enhancement factors (DEFs) and minimum cancer cell survival fractions correspond to 50-200 keV range, and fall rapidly at higher energies. Theoretical calculations of photoelectric absorption vis-a-vis total scattering demonstrates this energy dependence. However, in vivo studies of rats treated with [Pt(tpy)(py)] had a severe negative neurotoxic response, confirmed by histopathological analysis. But subsequent in vivo studies using carboplatin showed very positive results in the treatment of F98 glioma bearing rats and potential clinical radiation therapy.

Efficient Syntheses of Novel Fluoro-Substituted Pentacenes and Azapentacenes: Molecular and Solid-State Properties.

Science.gov (United States)

Schwaben, Jonas; Münster, Niels; Klues, Michael; Breuer, Tobias; Hofmann, Philipp; Harms, Klaus; Witte, Gregor; Koert, Ulrich

2015-09-21

Non-symmetrical 6,13-disubstituted pentacenes bearing trifluoromethyl and aryl substituents have been synthesized starting from pentacenequinone. Diazapentacenes with a variety of fluorine substituents were prepared either via a Hartwig-Buchwald aryl amination route or by a SNAr strategy. As a result of a non-symmetric substitution pattern containing electron-donating substituents in combination with electron-accepting fluorine substituents, the synthesized compounds feature distinct molecular dipoles. All compounds are analyzed regarding their optoelectronic properties in solution with special focus on the frontier orbital energies as well as their molecular packing in the crystal structures. The analyses of isolated molecules are complemented by thin-film studies to examine their solid-state properties. A precise comparison between these and the molecular properties gave detailed insights into the exciton binding energies of these compounds, which are explained by means of a simple model considering the molecular packing and polarizabilities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis of novel ionic liquids from lignin-derived compounds

Science.gov (United States)

Socha, Aaron; Singh, Seema; Simmons, Blake A.; Bergeron, Maxime

2017-09-19

Methods and compositions are provided for synthesizing ionic liquids from lignin derived compounds comprising: contacting a starting material comprising lignin with a depolymerization agent to depolymerize the lignin and form a mixture of aldehyde containing compounds; contacting the mixture of aldehyde containing compounds with an amine under conditions suitable to convert the mixture of aldehyde containing compounds to a mixture of amine containing compounds; and contacting the mixture of amine containing compounds with an acid under conditions suitable to form an ammonium salt, thereby preparing the ionic liquid.

Antifouling potential of Nature-inspired sulfated compounds

Science.gov (United States)

Almeida, Joana R.; Correia-da-Silva, Marta; Sousa, Emília; Antunes, Jorge; Pinto, Madalena; Vasconcelos, Vitor; Cunha, Isabel

2017-02-01

Natural products with a sulfated scaffold have emerged as antifouling agents with low or nontoxic effects to the environment. In this study 13 sulfated polyphenols were synthesized and tested for antifouling potential using the anti-settlement activity of mussel (Mytilus galloprovincialis) plantigrade post-larvae and bacterial growth inhibition towards four biofilm-forming bacterial strains. Results show that some of these Nature-inspired compounds were bioactive, particularly rutin persulfate (2), 3,6-bis(β-D-glucopyranosyl) xanthone persulfate (6), and gallic acid persulfate (12) against the settlement of plantigrades. The chemical precursors of sulfated compounds 2 and 12 were also tested for anti-settlement activity and it was possible to conclude that bioactivity is associated with sulfation. While compound 12 showed the most promising anti-settlement activity (EC50 = 8.95 μg.mL-1), compound 2 also caused the higher level of growth inhibition in bacteria Vibrio harveyi (EC20 = 12.5 μg.mL-1). All the three bioactive compounds 2, 6, and 12 were also found to be nontoxic to the non target species Artemia salina ( 1000 μg.mL-1). This study put forward the relevance of synthesizing non-natural sulfated small molecules to generate new nontoxic antifouling agents.

Experimental prophylaxis and therapy of radiation damage by newly synthesized S-heteryl mercaptoalkyl N-aryl hydrazidimides

Energy Technology Data Exchange (ETDEWEB)

Pantev, T P

1975-01-01

The synthesis is described of representatives of a new class of potential antiradiation agents, the S-heteryl mercaptoalkyl N-aryl hydrazidimices (MHA), obtained by molecular combination of three basic groups of radioprotectors. Toxicity characteristics (LD/sub 100/, LD/sub 50/, and maximum tolerable doses) indicated the compounds tested to be no more toxic for mide and rats than most of the established radioprotective agents. Under acute X-irradiation conditions with minimum absolutely lethal doses, 6 out of the 14 compounds tested showed clear-cut protective properties in mice. These 6 compounds also raised by 20 to 50% the survival of lethally irradiated rats. The most effective preparation was Y-64 (S-2-benzimidazolyl mercaptopropio N-p-tolyl hydrazidimide). This compound is observed to protect hematopoietic tissue in mice (Dose Reduction Factor of 1.29) and rats (Dose Reduction Factor of 1.52) given X-ray doses in the range of 400 to 900 R. With acute gamma irradiation, Y-64, as well as cysteamine, ensured survival of a larger amount of hematopoietic stem cells in bone marrow (using exogenous spleen colony techniques) and a more rapid recovery rate of the stem cell pool. With fractionated X-rays (5 x 100 R daily), Y-64 failed to increase survival, showing, nevertheless, a favorable effect on hematopoietic indices. When administered postradiation, Y-64 failed to influence the course of acute radiation disease in lethally irradiated mice; but, reducing hematopoietic damage, it raised by 40% the survival of lethally irradiated rats. No effect was observed with Y-64 post treatment following either fractionated irradiation (15 x 100 R daily) given to rats or prolonged gamma irradiation (0.28 R/min) to mice. The studies shed light on the mechanism of action of MHA.

Nanofibrous matrixes with biologically active hydroxybenzophenazine pyrazolone compound for cancer theranostics

International Nuclear Information System (INIS)

Kandhasamy, Subramani; Ramanathan, Giriprasath; Muthukumar, Thangavelu; Thyagarajan, SitaLakshmi; Umamaheshwari, Narayanan; Santhanakrishnan, V P; Sivagnanam, Uma Tiruchirapalli; Perumal, Paramasivan Thirumalai

2017-01-01

The nanomaterial with the novel biologically active compounds has been actively investigated for application in cancer research. Substantial use of nanofibrous scaffold for cancer research with potentially bioactive compounds through electrospinning has not been fully explored. Here, we describe the series of fabrication of nanofibrous scaffold loaded with novel potential biologically active hydroxybenzo[a]phenazine pyrazol-5(4H)-one derivatives were designed, synthesized by a simple one-pot, two step four component condensation based on Michael type addition reaction of lawsone, benzene-1,2-diamine, aromatic aldehydes and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one as the substrates. The heterogeneous solid state catalyst (Fe (III) Y-Zeolite) could effectively catalyze the reaction to obtain the product with high yield and short reaction time. The synthesized compounds (5a–5p) were analyzed by NMR, FTIR and HRMS analysis. Compound 5c was confirmed by single crystal XRD studies. All the compounds were biologically evaluated for their potential inhibitory effect on anticancer (MCF-7, Hep-2) and microbial (MRSA, MTCC 201 and FRCA) activities. Among the compounds 5i exhibited the highest levels of inhibitory activity against both MCF-7, Hep-2 cell lines. Furthermore, the compound 5i (BPP) was evaluated for DNA fragmentation, flow cytometry studies and cytotoxicity against MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. In addition, molecular docking (PDB ID: (1T46)) studies were performed to predict the binding affinity of ligand with receptor. Moreover, the synthesized BPP compound was loaded in to the PHB-PCL nanofibrous scaffold to check the cytotoxicity against the MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. The in vitro apoptotic potential of the PHB-PCL-BPP nanofibrous scaffold was assessed against MCF-7, Hep-2 cancerous cells and fibroblast cells at 12, 24 and 48 h respectively. The nanofibrous scaffold with BPP can induce apoptosis and also suppress the

Nanofibrous matrixes with biologically active hydroxybenzophenazine pyrazolone compound for cancer theranostics

Energy Technology Data Exchange (ETDEWEB)

Kandhasamy, Subramani [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India); Ramanathan, Giriprasath [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Muthukumar, Thangavelu [Department of Clinical and Experimental Medicine (IKE), Division of Neuro and Inflammation Sciences (NIV), Linkoping University (Sweden); Thyagarajan, SitaLakshmi [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Umamaheshwari, Narayanan [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India); Santhanakrishnan, V P [Department of Plant Biotechnology, TNAU, Coimbatore, Tamilnadu (India); Sivagnanam, Uma Tiruchirapalli, E-mail: suma67@gmail.com [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Perumal, Paramasivan Thirumalai, E-mail: ptperumal@gmail.com [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India)

2017-05-01

The nanomaterial with the novel biologically active compounds has been actively investigated for application in cancer research. Substantial use of nanofibrous scaffold for cancer research with potentially bioactive compounds through electrospinning has not been fully explored. Here, we describe the series of fabrication of nanofibrous scaffold loaded with novel potential biologically active hydroxybenzo[a]phenazine pyrazol-5(4H)-one derivatives were designed, synthesized by a simple one-pot, two step four component condensation based on Michael type addition reaction of lawsone, benzene-1,2-diamine, aromatic aldehydes and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one as the substrates. The heterogeneous solid state catalyst (Fe (III) Y-Zeolite) could effectively catalyze the reaction to obtain the product with high yield and short reaction time. The synthesized compounds (5a–5p) were analyzed by NMR, FTIR and HRMS analysis. Compound 5c was confirmed by single crystal XRD studies. All the compounds were biologically evaluated for their potential inhibitory effect on anticancer (MCF-7, Hep-2) and microbial (MRSA, MTCC 201 and FRCA) activities. Among the compounds 5i exhibited the highest levels of inhibitory activity against both MCF-7, Hep-2 cell lines. Furthermore, the compound 5i (BPP) was evaluated for DNA fragmentation, flow cytometry studies and cytotoxicity against MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. In addition, molecular docking (PDB ID: (1T46)) studies were performed to predict the binding affinity of ligand with receptor. Moreover, the synthesized BPP compound was loaded in to the PHB-PCL nanofibrous scaffold to check the cytotoxicity against the MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. The in vitro apoptotic potential of the PHB-PCL-BPP nanofibrous scaffold was assessed against MCF-7, Hep-2 cancerous cells and fibroblast cells at 12, 24 and 48 h respectively. The nanofibrous scaffold with BPP can induce apoptosis and also suppress the

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.

Removal of Perfluorinated Compounds From Water using Nanoscale Zero-Valent Iron

DEFF Research Database (Denmark)

Arvaniti, Olga S.; Hwang, Yuhoon; Andersen, Henrik Rasmus

Perfluorinated Compounds (PFCs) are persistent micropollutants that have been detected in various environmental and biological matrices, worldwide. During the last decade, these compounds have also been detected in municipal wastewater and tap water. Due to the stability of C-F bond......, the application of biological and conventional physicochemical treatment methods does not seem to remove sufficient these compounds from water and wastewater. In the current study, the removal efficiency of four PFCs using three different types of nanoscale zero-valent iron (nZVI) was investigated. Influencing...... factors such as, initial pH solution, reaction temperature and nZVI dosage were also studied. According to the results, target compounds were removed in the presence of chemically synthesized nZVI modified with Mg-aminoclay (MgAC) than under commercial iron powder and chemically synthesized uncoated n...

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

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.

New compounds as potential radio diagnosticians Alzheimer

International Nuclear Information System (INIS)

Rivera Marrero, S.; Sablón Carrazana, M.; Bencomo Martinez, A.; Merceron Martínez, D.; Jimenez Martín, J.; Pérez Perera, R.; Díaz García, O.; Rodríguez Tanty, Ch.; Prats Capote, A.; Perera Pintado, A; Fernández Maza, L.; Balcerzyk, M; Fernández Gómez, I.; Parrado Gallego, Á; León Chaviano, S.; Acosta Medina, E.

2016-01-01

Alzheimer's disease (AD) is the most common cause of dementia in Cuba and all over the World. According to demographic trends it has been called the epidemic of the century. It is characterized by the presence of neuropathological brain deposits: senile plaques, formed by neurofibrillary tangles (NT) and deposits of β-amyloid protein (Aß). Aß plaques could appear even 20 years before the establishment of first clinical symptoms of the disease. The aim of this study was to synthesize new naphthalene derivatives, feasible to be labeled with radionuclides emitters of either gamma radiation or positrons. These labeled compounds should be able to cross blood–brain barrier (BBB) in healthy and AD transgenic animals. As a result of this work, several synthetic precursors were synthesized, which were labeled with iodine-131, carbon-11 and fluorine-18 with a satisfactory radiochemical purity. The corresponding non-radioactive control compounds were also synthesized.In in vitro and in silico studies, obtained compounds showed affinity for the β-amyloid protein. According to SPECT and PET-CT images in healthy laboratory animals, obtained labeled compounds crossed BBB in a bi-directional way without any sign of brain uptake.Furthermore, evaluation of the biodistribution of the [ 18 F] -2- (3-fluoropropyl) -6-methoxynaphthalene ([[ 18 F] Amyloid® was performed in healthy animals.[[ 18 F]Amylovis crossed blood brain barrier. Renal and hepatic pathways were the main excretion routes. On the other hand, in transgenic mice with AD, its uptake and its retention time were higher in comparison with healthy mice. Immunohistochemistry and Congo red staining of control and transgenic mice brain slices were performed to identify β-amyloid plaques.Conclusions: Obtained compounds were able to bi-directionally cross BBB.[[ 18 F]Amylovis® could be a promising PET radiotracer for amyloid plaques visualization. (author)

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 ...

The syntheses, characterization and in vitro metabolism of nitracaine, methoxypiperamide and mephtetramine.

Science.gov (United States)

Power, John D; Scott, Kenneth R; Gardner, Elizabeth A; Curran McAteer, Bronagh M; O'Brien, John E; Brehon, Margaret; Talbot, Brian; Kavanagh, Pierce V

2014-01-01

Three legal highs; nitracaine (3-(diethylamino)-2,2-dimethylpropyl 4-nitrobenzoate), methoxypiperamide (MEOP, (4-methoxyphenyl)(4-methylpiperazin-1-yl)methanone) and mephtetramine (MTTA, 2-((methylamino)methyl)-3,4-dihydronaphthalen-1(2H)-one) appeared in 2013 as new psychoactive substances (NPS) on Internet websites selling 'research chemicals'. These compounds were synthesized and analyzed via our synthesize, analyze, and metabolize (SAM) protocol. Nitracaine was synthesized by the transesterification of methyl 4-nitrobenzoate with 3-(diethylamino)-2,2-dimethylpropan-1-ol. Methoxypiperamide was synthesized by the reaction of 4-methoxybenzoyl chloride with 1-methylpiperazine, and mephtetramine through the Mannich reaction of 1-tetralone with paraformaldehyde and methylamine hydrochloride. Each compound was characterized by nuclear magnetic resonance (NMR), gas chromatography with electron impact mass spectrometry (GC-EIMS), liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS), and high resolution electrospray ionization mass spectrometry (HR-ESI-MS). A sample of nitracaine was also test-purchased from an Internet vendor and its structure confirmed by GC-EIMS and LC-ESI-MS. Finally, the in vitro metabolism of the nitracaine, mephtetramine, and methoxypiperamide was investigated, using a human microsomal liver extract, in order to tentatively identify potential metabolites that may be encountered in the analysis of biological samples in clinical or toxicology labs. The use of our SAM protocol highlights the ability of academic research labs to quickly respond to and disseminate information about emerging NPS. Copyright © 2014 John Wiley & Sons, Ltd.

Microstructure and tribological properties of Ti–Cu intermetallic compound coating

International Nuclear Information System (INIS)

Guo, Chun; Zhou, Jiansong; Yu, Youjun; Wang, Lingqian; Zhou, Huidi; Chen, Jianmin

2012-01-01

Highlights: ► Ti–Cu coating has been synthesized on pure Ti substrate by laser cladding. ► Microstructure and tribological properties of Ti–Cu coating were analyzed. ► The prepared Ti–Cu intermetallic compound coating has excellent wear resistance. -- Abstract: Ti–Cu intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding using copper powder as the precursor. It has been found that the prepared coating mainly contains of TiCu, TiCu 3 , Ti 3 Cu, and Ti phases. The transmission electron microscopy results conform further the existence of Ti–Cu intermetallic compound in the fabricated coating. Tribological properties of the prepared Ti–Cu intermetallic compound coating were systematically evaluated. It was found that normal loads and sliding speeds have a strong influence on the friction coefficient and wear rate of Ti–Cu intermetallic compound coating. Namely, the friction coefficient of the Ti–Cu intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the Ti–Cu intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate increased as the normal load increased.

Microwave assisted synthesis and anti-lipase activity of some new fluorine-containing benzimidazoles.

Science.gov (United States)

Menteşe, E; Yilmaz, F; Ülker, S; Kahveci, B

2015-01-01

In this study, a new series of fluorine containing benzimidazoles (4a-l) and bisbenzimidazoles (6a-c, 8) were synthesized by the reaction of o-phenylenediamines with iminoester hydrochlorides (3a-l, 7) in methanol under microwave irradiation. The structures of these newly synthesized compounds were identified by IR, (1)H-NMR, (13)C-NMR, mass spectroscopy and elemental analysis data. The synthesized compounds were screened for their pancreatic lipase activities. Our results indicate that the compounds 6a, 6b and 6c can serve as an anti-lipase agent. The compounds 6b and 6c inhibited pancreatic lipase activity by 84.03% and 97.49% at a concentration of 3 µg/mL, respectively. © Georg Thieme Verlag KG Stuttgart · New York.

Cytoplasmic assembly of snRNP particles from stored proteins and newly transcribed snRNA's in L929 mouse fibroblasts

International Nuclear Information System (INIS)

Sauterer, R.A.; Feeney, R.J.; Zieve, G.W.

1988-01-01

Newly synthesized snRNAs appear transiently in the cytoplasm where they assemble into ribonucleoprotein particles, the snRNP particles, before returning permanently to the interphase nucleus. In this report, bona fide cytoplasmic fractions, prepared by cell enucleation, are used for a quantitative analysis of snRNP assembly in growing mouse fibroblasts. The half-lives and abundances of the snRNP precursors in the cytoplasm and the rates of snRNP assembly are calculated in L929 cells. With the exception of U6, the major snRNAs are stable RNA species; U1 is almost totally stable while U2 has a half-life of about two cell cycles. In contrast, the majority of newly synthesized U6 decays with a half-life of about 15 h. The relative abundances of the newly synthesized snRNA species U1, U2, U3, U4 and U6 in the cytoplasm are determined by Northern hybridization using cloned probes and are approximately 2% of their nuclear abundance. The half-lives of the two major snRNA precursors in the cytoplasm (U1 and U2) are approximately 20 min as determined by labeling to steady state. The relative abundance of the snRNP B protein in the cytoplasm is determined by Western blotting with the Sm class of autoantibodies and is approximately 25% of the nuclear abundance. Kinetic studies, using the Sm antiserum to immunoprecipitate the methionine-labeled snRNP proteins, suggest that the B protein has a half-life of 90 to 120 min in the cytoplasm. These data are discussed and suggest that there is a large pool of more stable snRNP proteins in the cytoplasm available for assembly with the less abundant but more rapidly turning-over snRNAs

Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

Energy Technology Data Exchange (ETDEWEB)

Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping, E-mail: sanpingchen@126.com

2014-02-15

Four alkaline-earth coordination polymers, [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba{sub 2}O{sub 11}N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2.

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, Molecular Docking Studies, In Vitro Antimicrobial and Antifungal Activities of Novel Dipeptide Derivatives Based on N-(2-(2-Hydrazinyl-2-oxoethylamino-2-oxoethyl-Nicotinamide

Directory of Open Access Journals (Sweden)

Gaber Moustafa

2018-03-01

Full Text Available A series of linear dipeptide derivatives (4–10 were prepared and evaluated as antimicrobial agents via the synthesis of N-(2-(2-hydrazinyl-2-oxoethylamino-2-oxoethyl nicotinamide (4. Compound 4 was reacted with 4-chlorobenzaldehyde or 4-hydroxybenzaldehyde, to give the hydrazones 5 and 6, respectively. On the other hand, Compound 4 was coupled with phenylisocyanate or methylisothiocyanate to give Compounds 7 and 8, respectively. The latter compounds (7 and 8 were coupled with chloroacetic acid to give oxazolidine (9 and thiazolidine (10, respectively. The newly synthesized dipeptide compounds were confirmed by means of their spectral data. The antimicrobial activity of the newly synthesized compounds 4–10 was evaluated by agar well diffusion, and they showed good activity. Compounds 4, 5, and 9 gave the most promising activity in this study. Most of the tested compounds possessed MIC values ranging from 50 to 500 µg/mL. Furthermore, docking studies were carried out on enoyl reductase from E. coli and cytochrome P450 14 α-sterol demethylase (Cyp51 from Candida albicans active sites. The MolDock scores of the seven tested compounds ranged between −117 and −171 and between −107 and −179, respectively.

Acute toxicity and gastroprotection studies with a newly synthesized steroid.

Science.gov (United States)

Ketuly, Kamal A; Hadi, A Hamid A; Golbabapour, Shahram; Hajrezaie, Maryam; Hassandarvish, Pouya; Ali, Hapipah Mohd; Abdul Majid, Nazia; Abdulla, Mahmood A

2013-01-01

Synthetic steroids, such as 9α-bromobeclomethasonedipropionate, have shown gastroprotective activity. For example, the potent glucocorticoid steroid, beclomethasone dipropionate, has been used for treatment of bowel ulcerations. The purpose of the present study was to evaluate the effect of a synthetic steroid, (20S)-22-acetoxymethyl-6β-methoxy-3α,5-dihydro-3'H-cyclopropa[3α,5]-5α-pregnane (AMDCP), on ethanol-induced gastric mucosa injuries in rats. Rats were divided into 8 groups. The negative control and ethanol control groups were administered Tween 20 (10%v/v) orally. The reference control group, 20 mg/kg omeprazole (10% Tween 20, 5 mL/kg), was administrated orally. The experimental groups received 1, 5, 10, 15 or 20 mg/kg of the AMDCP compound (10% Tween 20, 5 mL/kg). After 60 min, Tween 20 and absolute ethanol was given orally (5 mL/kg) to the negative control group and to the rest of the groups, and the rats were sacrificed an hour later. The acidity of gastric content, gastric wall mucus and areas of mucosal lesions were assessed. In addition, histology and immunohistochemistry of the gastric wall were assessed. Prostaglandin E2 (PGE2) and malondialdehyde (MDA) content were also measured. The ethanol control group exhibited severe mucosal lesion compared with the experimental groups with fewer mucosal lesions along with a reduction of edema and leukocyte infiltration. Immunohistochemical staining of Hsp70 and Bax proteins showed over-expression and under-expression, respectively, in the experimental groups. The experimental groups also exhibited high levels of PGE2 as well as a reduced amount of MDA. AMDCP decreased the acidity and lipid peroxidation and increased the levels of antioxidant enzymes. The current investigation evaluated the gastroprotective effects of AMDCP on ethanol-induced gastric mucosal lesions in rats. This study also suggests that AMDCP might be useful as a gastroprotective agent.

A Bivalent Securinine Compound SN3-L6 Induces Neuronal Differentiation via Translational Upregulation of Neurogenic Transcription Factors

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Yumei Liao

2018-04-01

Full Text Available Developing therapeutic approaches that target neuronal differentiation will be greatly beneficial for the regeneration of neurons and synaptic networks in neurological diseases. Protein synthesis (mRNA translation has recently been shown to regulate neurogenesis of neural stem/progenitor cells (NSPCs. However, it has remained unknown whether engineering translational machinery is a valid approach for manipulating neuronal differentiation. The present study identifies that a bivalent securinine compound SN3-L6, previously designed and synthesized by our group, induces potent neuronal differentiation through a novel translation-dependent mechanism. An isobaric tag for relative and absolute quantitation (iTRAQ-based proteomic analysis in Neuro-2a progenitor cells revealed that SN3-L6 upregulated a group of neurogenic transcription regulators, and also upregulated proteins involved in RNA processing, translation, and protein metabolism. Notably, puromycylation and metabolic labeling of newly synthesized proteins demonstrated that SN3-L6 induced rapid and robust activation of general mRNA translation. Importantly, mRNAs of the proneural transcription factors Foxp1, Foxp4, Hsf1, and Erf were among the targets that were translationally upregulated by SN3-L6. Either inhibition of translation or knockdown of these transcription factors blocked SN3-L6 activity. We finally confirmed that protein synthesis of a same set of transcription factors was upregulated in primary cortical NPCs. These findings together identify a new compound for translational activation and neuronal differentiation, and provide compelling evidence that reprogramming transcriptional regulation network at translational levels is a promising strategy for engineering NSPCs.

Biomedical applications of green synthesized Nobel metal nanoparticles.

Science.gov (United States)

Khan, Zia Ul Haq; Khan, Amjad; Chen, Yongmei; Shah, Noor S; Muhammad, Nawshad; Khan, Arif Ullah; Tahir, Kamran; Khan, Faheem Ullah; Murtaza, Behzad; Hassan, Sadaf Ul; Qaisrani, Saeed Ahmad; Wan, Pingyu

2017-08-01

Synthesis of Nobel metal nanoparticles, play a key role in the field of medicine. Plants contain a substantial number of organic constituents, like phenolic compounds and various types of glycosides that help in synthesis of metal nanoparticles. Synthesis of metal nanoparticles by green method is one of the best and environment friendly methods. The major significance of the green synthesis is lack of toxic by-products produced during metal nanoparticle synthesis. The nanoparticles, synthesized by green method show various significant biological activities. Most of the research articles report the synthesized nanoparticles to be active against gram positive and gram negative bacteria. Some of these bacteria include Escherichia coli, Bacillus subtilis, Klebsiella pneumonia and Pseudomonas fluorescens. The synthesized nanoparticles also show significant antifungal activity against Trichophyton simii, Trichophyton mentagrophytes and Trichophyton rubrum as well as different types of cancer cells such as breast cancer cell line. They also exhibit significant antioxidant activity. The activities of these Nobel metal nano-particles mainly depend on the size and shape. The particles of small size with large surface area show good activity in the field of medicine. The synthesized nanoparticles are also active against leishmanial diseases. This research article explores in detail the green synthesis of the nanoparticles and their uses thereof. Copyright © 2017 Elsevier B.V. All rights reserved.

Organo-Functionalization of Silicon Nanocrystals Synthesized by Inductively Coupled Plasma Chemical Vapor Deposition

Energy Technology Data Exchange (ETDEWEB)

Lee, Don-Sung; Choe, Dong-Hoe; Jeong, Hyun-Dam [Chonnam National University, Gwangju (Korea, Republic of); Yoo, Seung-Wan; Kim, Jung-Hyung [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

2016-05-15

Octadecyl-terminated silicon nanocrystals (ODE-Si NCs) are obtained via a surface-initiated thermal hydrosilylation reaction on hydride-terminated Si NCs (H-Si NCs). Pristine Si NCs were synthesized at the gram scale by using inductively coupled plasma chemical vapor deposition (ICP-CVD) . The H-Si NCs were produced through a chemical etching process with hydrofluoric acid (HF), ethanol (EtOH), and distilled water (d-H{sub 2}O). The results obtained from X-ray diffraction (XRD) and field emission scanning electron microscopy (FE-SEM) indicate that the synthesized Si NCs obtained via ICP-CVD have diamond cubic-structured silicon with a grain size of 10 nm and a densely packed Si NC array consisting of individual NCs. Organo-functionalized Si NCs, i.e., ODE-Si NCs, are well soluble in organic solvent whereas pristine Si NCs synthesized through ICP-CVD are not. The surface chemistry of the ODE-Si NCs was confirmed via Fourier transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance spectroscopy ({sup 1}H-NMR), and field emission transmission electron microscopy (FE-TEM). Thereby, these newly synthesized and scalable organo-functionalized Si NCs are applicable as raw materials for practical use in devices by tuning the surface chemistry with various capping molecules.

Method of synthesizing silica nanofibers using sound waves

Science.gov (United States)

Sharma, Jaswinder K.; Datskos, Panos G.

2015-09-15

A method for synthesizing silica nanofibers using sound waves is provided. The method includes providing a solution of polyvinyl pyrrolidone, adding sodium citrate and ammonium hydroxide to form a first mixture, adding a silica-based compound to the solution to form a second mixture, and sonicating the second mixture to synthesize a plurality of silica nanofibers having an average cross-sectional diameter of less than 70 nm and having a length on the order of at least several hundred microns. The method can be performed without heating or electrospinning, and instead includes less energy intensive strategies that can be scaled up to an industrial scale. The resulting nanofibers can achieve a decreased mean diameter over conventional fibers. The decreased diameter generally increases the tensile strength of the silica nanofibers, as defects and contaminations decrease with the decreasing diameter.

Synthesis, pharmacological evaluation and molecular docking studies of pyrimidinedione based DPP-4 inhibitors as antidiabetic agents

Science.gov (United States)

Jha, Vibhu; Bhadoriya, Kamlendra Singh

2018-04-01

Dipeptidyl peptidase-4 (DPP-4) inhibitors are a class of newly developed antidiabetic drugs that bock DPP-4. DPP-4 is responsible for degradation of incretins harmones such as GLP-1 (Glucagon like Peptide) and GIP (Gastric inhibitory polypeptide) that maintain blood-glucose level. Pyrimidinedione based compounds were designed and synthesized for DPP-4 inhibitory activity. These heterocycles were designed by taking Alogliptin as a reference DPP-4 inhibitors and synthesized as N-methylated and N-benzylated pyrimidinediones. These compounds were subjected to DPP-4 assay, five out of nine synthesized compounds have shown in vitro DPP-4 inhibitory activity in significant range. Further, molecular docking studies of these compounds were performed on DPP-4 subunit and compared with natural DPP-4 inhibitors like Flavone, Resveratrol, Quercetin, Diprotin A. Docking studies have led to the conclusion that there are some identical amino acid interactions as Tyr 666 and Tyr 662, seen in both synthesized compounds and natural DPP-4 inhibitors. This study completely gives a good scope for further derivatisation and optimization of synthesized compounds to get clinical candidate as DPP-4 inhibitor for antidiabetic activity.

Immunomodulatory activities of some new synthesized compounds on serum IL-12 level and the production of IFN-gamma in irradiated female rats

International Nuclear Information System (INIS)

Noaman, E.; Elgawish, M.A.M.

2002-01-01

The immune responds to ionizing radiation with distinct characteristics depending on the dose and dose rate. The prominent suppressive effect of lethal and sublethal doses of ionizing radiation on immunity and hemopoiesis constitutes the basis of the chief clinical manifestations of acute radiation syndrome. The present of research was conducted to evaluate the effects of new compounds synthesized by adding histidine, glutathione or methionine to germanium element on the levels of interferon-gamma (IFN-γ)and interleukin-12 (IL-12) in serum of female rats exposure. The results revealed that exposure to γ-irradiation decreased significantly the levels of IL-12 and I FN-γ 1 and 3 days post-treatment. On the other hand, histidine-germanate could stimulate the production of IL-12 three days post-irradiation while glutathione-germanate and methionine-germanate may be considered as IFN-γ inducer during the investigated periods

EPlantLIBRA: A composition and biological activity database for bioactive compounds in plant food supplements

DEFF Research Database (Denmark)

Plumb, J.; Lyons, J.; Nørby, Karin Kristiane

2015-01-01

The newly developed ePlantLIBRA database is a comprehensive and searchable database, with up-to-date coherent and validated scientific information on plant food supplement (PFS) bioactive compounds, with putative health benefits as well as adverse effects, and contaminants and residues. It is the......The newly developed ePlantLIBRA database is a comprehensive and searchable database, with up-to-date coherent and validated scientific information on plant food supplement (PFS) bioactive compounds, with putative health benefits as well as adverse effects, and contaminants and residues...

New Benzimidazole-1,2,4-Triazole Hybrid Compounds: Synthesis, Anticandidal Activity and Cytotoxicity Evaluation

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Hülya Karaca Gençer

2017-03-01

Full Text Available Owing to the growing need for antifungal agents, we synthesized a new series 2-((5-(4-(5-substituted-1H-benzimidazol-2-ylphenyl-4-substituted-4H-1,2,4-triazol-3-ylthio-1-(substitutedphenylethan-1-one derivatives, which were tested against Candida species. The synthesized compounds were characterized and elucidated by FT-IR, 1H-NMR, 13C-NMR and HR-MS spectroscopies. The synthesized compounds were screened in vitro anticandidal activity against Candida species by broth microdiluation methods. In vitro cytotoxic effects of the final compounds were determined by MTT assay. Microbiological studies revealed that compounds 5m, 5o, 5r, 5t, 5y, 5ab, and 5ad possess a good antifungal profile. Compounds 5w was the most active derivative and showed comparable antifungal activity to those of reference drugs ketoconazole and fluconazole. Cytotoxicity evaluation of compounds 5m, 5o, 5r, 5w, 5y, 5ab and 5ad showed that compounds 5w and 5ad were the least cytotoxic agents. Effects of these two compounds against ergosterol biosynthesis were observed by LC-MS-MS method, which is based on quantification of ergosterol level in C. albicans. Compounds 5w and 5d inhibited ergosterol biosynthesis concentration dependently. A fluorescence microscopy study was performed to visualize effect of compound 5w against C. albicans at cellular level. It was determined that compound 5w has a membrane damaging effect, which may be related with inhibition of biosynthesis of ergosterol.

Oxidation of refractory sulfur compounds over Ti-containing mesoporous molecular sieves prepared by using a fluorosilicon compound.

Science.gov (United States)

Jeong, Kwang-Eun; Cho, Chin-Soo; Chae, Ho-Jeong; Kim, Chul-Ung; Jeong, Soon-Yong

2010-05-01

Titanium containing mesoporous molecular sieve (Ti-MMS) catalysts were studied for the oxidative desulfurization of refractory sulfur compounds. Ti-MMS catalysts were synthesized from fluorosilicon compounds and Ti with the hydrolysis reaction of H2SiF6 in an ammonia-surfactant mixed solution. The solid products were characterized by XRD, XRF, nitrogen adsorption, and diffuse reflectance UV-vis spectroscopy. Effects of Ti loading and oxidant/sulfur mole ratio, and sulfur species on ODS activity were investigated.

antistress and antimicrobial studies of biphenyl chalcone derivatives

African Journals Online (AJOL)

C. G. Darshan Raj, B. K. Sarojini, E. S. Sindhu Priya, M. T. Hassan Khan, C.Srinivas, P.S Manjula

characterized and evaluated for in vitro anti oxidant through chemical antioxidant ... bacteria. An in silico docking of the newly synthesized compounds to ..... dried and recrystallized from ethanol and % yield and meting point were noted [12].

Fibronectin synthesized by a human hepatoma cell line

International Nuclear Information System (INIS)

Glasgow, J.E.; Colman, R.W.

1984-01-01

Fibronectin is a family of immunologically similar glycoproteins which mediate a variety of cell-cell and cell-substratum interactions. It is a constituent of the extracellular matrix of connective tissue and circulates in plasma. When suspension and adherent cultures of a human hepatoma cell line (SK-HEP-1) were incubated in serum-free medium, the resulting conditioned medium contained material which was specifically immunoprecipitated by antisera to human plasma fibronectin. By double immunodiffusion, a component in the conditioned culture medium was shown to form a line of identity with fibronectin in human plasma and to migrate as an alpha 2- to beta-globulin during immunoelectrophoresis. Human fibronectin was quantified in conditioned medium by electroimmunodiffusion, and was found to increase for at least three days at about 0.1 micrograms/10(6) cells/day. Adherent cultures of SK-HEP-1 cells were incubated with L-[ 35 S]methionine to label newly synthesized proteins. Labeled fibronectin in conditioned medium or in cell extracts comigrated with fibronectin in human plasma as shown by autoradiography following crossed-immunoelectrophoresis. Fibronectin was demonstrated in the extra-cellular matrix of adherent SK-HEP-1 cultures by immunofluorescence. It was shown previously that SK-HEP-1 cells synthesize alpha 1-protease inhibitor, one of the products of normal hepatocytes. The finding that these hepatoma cells also synthesize fibronectin supports the concept that the hepatocyte may be one source of circulating fibronectin, a possibility consistent with the established role of this cell type in blood plasma protein synthesis

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

Science.gov (United States)

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.

Structural Correlation of Some Heterocyclic Chalcone Analogues and Evaluation of Their Antioxidant Potential

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2013-09-01

Full Text Available A series of six novel heterocyclic chalcone analogues 4(a–f has been synthesized by condensing 2-acetyl-5-chlorothiophene with benzaldehyde derivatives in methanol at room temperature using a catalytic amount of sodium hydroxide. The newly synthesized compounds are characterized by IR, mass spectra, elemental analysis and melting point. Subsequently; the structures of these compounds were determined using single crystal X-ray diffraction. All the synthesized compounds were screened for their antioxidant potential by employing various in vitro models such as DPPH free radical scavenging assay, ABTS radical scavenging assay, ferric reducing antioxidant power and cupric ion reducing antioxidant capacity. Results reflect the structural impact on the antioxidant ability of the compounds. The IC50 values illustrate the mild to good antioxidant activities of the reported compounds. Among them, 4f with a p-methoxy substituent was found to be more potent as antioxidant agent.

Small molecule n-(alpha-peroxy) indole compounds and methods of use

KAUST Repository

Wang, Xinbo; Lai, Zhiping; Pan, Yupeng; Huang, Kuo-Wei; Wang, Zhigang

2017-01-01

The invention relates to novel N-(α-peroxy)indole compounds of Formula I and methods for use. (I) The N-(α-peroxy)indole compounds described herein are useful for treating or preventing parasitic infections, bacterial infections, and cancer in subjects. The methods include administering an N-(α-peroxy)indole compound as described herein to a subject. Also described herein are methods for synthesizing N-(α-peroxy )indole compounds.

Small molecule n-(alpha-peroxy) carbazole compounds and methods of use

KAUST Repository

Wang, Xinbo; Lai, Zhiping; Pan, Yupeng; Huang, Kuo-Wei

2017-01-01

The invention relates to novel N-(α-peroxy)carbazole compounds of Formula I and methods for use. (I) The N-(α-peroxy)carbazole compounds described herein are useful for treating or preventing parasitic infections, bacterial infections, and cancer in subjects. The methods include administering an N-(α-peroxy)carbazole compound as described herein to a subject. Also described herein are methods for synthesizing N-(α-peroxy)carbazole compounds.

Small molecule n-(alpha-peroxy) indole compounds and methods of use

KAUST Repository

Wang, Xinbo

2017-11-16

The invention relates to novel N-(α-peroxy)indole compounds of Formula I and methods for use. (I) The N-(α-peroxy)indole compounds described herein are useful for treating or preventing parasitic infections, bacterial infections, and cancer in subjects. The methods include administering an N-(α-peroxy)indole compound as described herein to a subject. Also described herein are methods for synthesizing N-(α-peroxy )indole compounds.

Small molecule n-(alpha-peroxy) carbazole compounds and methods of use

KAUST Repository

Wang, Xinbo

2017-11-16

The invention relates to novel N-(α-peroxy)carbazole compounds of Formula I and methods for use. (I) The N-(α-peroxy)carbazole compounds described herein are useful for treating or preventing parasitic infections, bacterial infections, and cancer in subjects. The methods include administering an N-(α-peroxy)carbazole compound as described herein to a subject. Also described herein are methods for synthesizing N-(α-peroxy)carbazole compounds.

Fulltext PDF

Indian Academy of Sciences (India)

The newly synthesized molecules were characterized by spectral analysis and subjected to antioxidant and ... membered heterocyclic compounds with oxygen and nitrogen atoms. ...... Yen G C and Chen H Y 1995 J. Agric. Food Chem. 43. 27.

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)

Characterization of Newly Synthesized ZrFe2O5 Nanomaterial and Investigations of Its Tremendous Photocatalytic Properties under Visible Light Irradiation

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Shaukat Ali Shahid

2013-01-01

Full Text Available High functional ZrFe2O5 nanoparticles were synthesized using coprecipitation technique. The chemical composition of nanomaterials was studied by energy-dispersive X-ray (EDX. To observe the morphology, field emission scanning electron microscopy (FE-SEM was used. X-ray diffraction (XRD technique was utilized to appraise the structure of the synthesized material. The photocatalytic behavior of ZrFe2O5 nano-particles was investigated by measuring the degradation rate of toluidine blue O (TBO dye in aqueous solution in the presence of ZrFe2O5 nano-particles under visible light irradiation. A steady decrease in absorption peak under visible light irradiation was observed by increasing exposure time. The degradation efficiency was observed as 92% after 140 min of exposure to visible light. Besides, ZrFe2O5 nanophotocatalyst could be recovered and recycled easily. The rate of TBO and total organic carbon (TOC removal under visible light irradiation decreased by only 5% and 10%, respectively, after seven cycles of use, demonstrating the high photostability of the synthesized nano-photocatalyst material.

Identification of a potential superhard compound ReCN

International Nuclear Information System (INIS)

Fan, Xiaofeng; Li, M.M.; Singh, David J.; Jiang, Qing; Zheng, W.T.

2015-01-01

Highlights: • We identify a new ternary compound ReCN with theoretical calculation. • The ternary compound ReCN is with two stable structures with P63mc and P3m1. • ReCN is a semiconductor from the calculation of electronic structures. • ReCN is found to possess the outstanding mechanical properties. • ReCN may be synthesized relatively easily. - Abstract: We identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. We find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC 2 and ReN 2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths. In addition, ReCN may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures

Potent antifouling compounds produced by marine Streptomyces

KAUST Repository

Xu, Ying

2010-02-01

Biofouling causes huge economic loss and a recent global ban on organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. Five structurally similar compounds were isolated from the crude extract of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared to probe structure-activity relationships of compounds. The functional moiety responsible for antifouling activity lies in the 2-furanone ring and that the lipophilicity of compounds substantially affects their antifouling activities. Based on these findings, a compound with a straight alkyl side-chain was synthesized and proved itself as a very effective non-toxic, anti-larval settlement agent against three major fouling organisms. The strong antifouling activity, relatively low toxicity, and simple structures of these compounds make them promising candidates for new antifouling additives. © 2009 Elsevier Ltd. All rights reserved.

Synthesis, characterization, thermal

Directory of Open Access Journals (Sweden)

Selma Bal

2017-09-01

Full Text Available This work explains the synthesis of a new azo-Schiff base compound, derived from condensation between N-ethylcarbazole-3-carbaldehyde and 1,3-diaminopropane, followed by azo coupling reaction with the diazonium salt of 2-amino-4-methyl phenol. The newly synthesized azo-Schiff base was further reacted with the acetate salts of Copper, Cobalt and Nickel to give three coordination compounds. All synthesized compounds have been characterized through spectral analysis. The coordination compounds have been examined for their thermal and catalytic features. Good and moderate yields were obtained for the oxidation of styrene and cyclohexene. Thermal features of the ligand and its complexes have been explained and the results obtained have supported the proposed structures.

Newly Synthesized Water Soluble Cholinium-Purpurin Photosensitizers and Their Stabilized Gold Nanoparticles as Promising Anticancer Agents

Directory of Open Access Journals (Sweden)

Young Key Shim

2008-05-01

Full Text Available For possible future use in Photodynamic Therapy (PDT and/or Photothermal Therapy (PTT of cancer and screening of cancer cells a new type of ionic liquid photosensitizer –Cholinium-Purpurin-18 (Chol-Pu-18 – was synthesized and small gold (Au nanoparticles, stabilized by this photosensitizer were prepared without adding any particular reducing agents and CTAB. UV-Vis spectroscopy and Transmission Electron Microscopy (TEM were used for characterization of the nanoparticles and FAB-MS and NMR of the ionic liquid choline hydroxide, purpurin carboxylate and their ionic liquid type of photosensitizer were obtained.

A Novel Synthesis of Fused Uracils: Indenopyrimidopyridazines, Pyrimidopyridazines, and Pyrazolopyrimidines for Antimicrobial and Antitumor Evalution

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Samar El-Kalyoubi

2016-12-01

Full Text Available A variety of different compounds of fused uracils were prepared simply by the heating of 6-hydrazinyl-1-methyl-, 6-hydrazinyl-1-propyl-, or 6-hydrazinyl-1,3-dipropyluracil under reflux with ninhydrin, isatin, benzylidene malononitrile, benzylylidene ethyl cyanoacetate, benzil, and phenacyl bromide derivatives. The newly synthesized compounds were completely screened for antimicrobial and antitumor activity.

Synthesis and Odor Evaluation of Five New Sulfur-Containing Ester Flavor Compounds from 4-Ethyloctanoic Acid

Directory of Open Access Journals (Sweden)

Baoguo Sun

2010-07-01

Full Text Available Five sulfur-containing flavor compounds were synthesized for the first time by the reaction of 4-ethyloctanoyl chloride with sulfur-containing alcohols or mercaptans. The synthesized compounds are 3-(methylthiopropyl 4-ethyloctanoate, 2-methyl-3-tetrahydro-furanthiol 4-ethyloctanoate, 4-methyl-5-thiazoleethanol 4-ethyloctanoate, 2-furan-methanethiol 4-ethyloctanoate and 2-methyl-3-furanthiol 4-ethyloctanoate. These five synthetic sulfur-containing ester flavor compounds all have meaty odor and might be used in foods if approved for this purpose in the future.

Synthesis and odor evaluation of five new sulfur-containing ester flavor compounds from 4-ethyloctanoic acid.

Science.gov (United States)

Liu, Yuping; Chen, Haitao; Yin, Decai; Sun, Baoguo

2010-07-29

Five sulfur-containing flavor compounds were synthesized for the first time by the reaction of 4-ethyloctanoyl chloride with sulfur-containing alcohols or mercaptans. The synthesized compounds are 3-(methylthio)propyl 4-ethyloctanoate, 2-methyl-3-tetrahydro-furanthiol 4-ethyloctanoate, 4-methyl-5-thiazoleethanol 4-ethyloctanoate, 2-furan-methanethiol 4-ethyloctanoate and 2-methyl-3-furanthiol 4-ethyloctanoate. These five synthetic sulfur-containing ester flavor compounds all have meaty odor and might be used in foods if approved for this purpose in the future.

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)

Synthesis of Some Novel Heterocyclic and Schiff Base Derivatives as Antimicrobial Agents

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Mohamed E. Azab

2015-10-01

Full Text Available Treatment of 2,3-diaryloxirane-2,3-dicarbonitriles 1a–c with different nitrogen nucleophiles, e.g., hydrazine, methyl hydrazine, phenyl hydrazine, hydroxylamine, thiosemicarbazide, and/or 2-amino-5-phenyl-1,3,4-thiadiazole, afforded pyrazole, isoxazole, pyrrolotriazine, imidazolothiadiazole derivatives 2–5, respectively. Reacting pyrazoles 2a–c with aromatic aldehydes and/or methyl glycinate produced Schiff’s bases 7a–d and pyrazolo[3,4-b]-pyrazinone derivative 8, respectively. Treating 7 with ammonium acetate and/or hydrazine hydrate, furnished the imidazolopyrazole and pyrazolotriazine derivatives 9 and 10, respectively. Reaction of 8 with chloroacetic acid and/or diethyl malonate gave tricyclic compound 11 and triketone 12, respectively. On the other hand, compound 1 was reacted with active methylene precursors, e.g., acetylacetone and/or cyclopentanone producing adducts 14a,b which upon fusion with ammonium acetate furnished the 3-pyridone derivatives 15a,b, respectively. Some of newly synthesized compounds were screened for activity against bacterial and fungal strains and most of the newly synthesized compounds showed high antimicrobial activities. The structures of the new compounds were elucidated using IR, 1H-NMR, 13C-NMR and mass spectroscopy.

Site preferences of actinide cations in [NZP] compounds

Science.gov (United States)

Hawkins, H. T.; Spearing, D. R.; Smith, D. M.; Hampel, F. G.; Veirs, D. K.; Scheetz, B. E.

2000-07-01

Compounds adopting the sodium dizirconium tris(phosphate) (NaZr2(PO4)3) structure type belong to the [NZP] structural family of compounds. [NZP] compounds possess desirable properties that would permit their application as hosts for the actinides. These properties include compositional flexibility (i.e., three structural sites that can accommodate a variety of different cations), high thermal stability, negligible thermal expansion, and resistance to radiation damage. Experimental data indicate that [NZP] compounds resist dissolution and release of constituents over a wide range of experimental conditions. Moreover, [NZP] compounds may be synthesized by both conventional and novel methods and may be heat treated or sintered at modest temperatures (800 °C-1350 °C) in open or restricted systems.

Microwave assisted synthesis and antimicrobial activity of novel 1-[1/2-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethoxy-naphthalen-2/1-yl]-3-(1-phenyl-3-aryl-1H-pyrazol-4-yl-propenones

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Dongamanti Ashok

2015-06-01

Full Text Available A series of novel 1-[1/2-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethoxy-naphthalen-2/1-yl]-3-(1-phenyl-3-aryl-1H-pyrazol-4-yl-propenones were design and synthesized by Click reaction followed by Claisen-Schmidt condensation under microwave irradiation and conventional heating methods. The structures of newly synthesized compounds have been established on the basis of elemental analysis, IR, 1H & 13C NMR and mass spectral data. All the compounds were screened for their antimicrobial activity.

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 of Chlorinated Tetracyclic Compounds and Testing for Their Potential Antidepressant Effect in Mice

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Usama Karama

2016-01-01

Full Text Available The synthesis of the tetracyclic compounds 1-(4,5-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl-N-methylmethanamine (5 and 1-(1,8-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl-N-methylmethanamine (6 as a homologue of the anxiolytic and antidepressant drugs benzoctamine and maprotiline were described. The key intermediate aldehydes (3 and (4 were successfully synthesized via a [4 + 2] cycloaddition between acrolein and 1,8-dichloroanthracene. The synthesized compounds were investigated for antidepressant activity using the forced swimming test. Compounds (5, (6 and (3 showed significant reduction in the mice immobility indicating significant antidepressant effects. These compounds significantly reduced the immobility times at a dose 80 mg/kg by 84.0%, 86.7% and 71.1% respectively.

Synthesis and biological activities of 3,6-disubstituted-1,2,4-triazolo ...

African Journals Online (AJOL)

substituted-4H-1,2,4-triazole-3-thiols with various aromatic carboxylic acids by cyclization in the presence of phosphorous oxychloride. All the newly synthesized compounds were characterized by FTIR, 1H NMR, mass spectroscopy and ...

Synthesis and Biological Evaluation of some Anthranilic Acid and 2 ...

African Journals Online (AJOL)

NJD

Structures of newly synthesized compounds were characterized by elemental ... δ3.53 ppm and a triplet atδ5.62 ppm confirmed the formation of the isoxazoline ... acute conditions was investigated using the carrageenan induced rat paw ...

SYNTHESIS, CHARACTERIZATION AND ANTIOXIDANT ACTIVITIES OF NOVEL 1-(MORPHOLINE-4-YL-METHYL-3-ALKYL(ARYL-4-[4-(DIMETHYLAMINO-BENZYLIDENAMINO]-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONES

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Özlem Gürsoy Kol

2016-08-01

Full Text Available In this paper, eight novel 1-(morpholine-4-yl-methyl-3-alkyl(aryl-4-[4-(dimethylamino-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (2 were obtained by the reactions of 3-alkyl(aryl-4-[4-(dimethylamino-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (1 with formaldehyde and morpholine. The novel synthesized compounds were identified by IR, 1H NMR and 13C NMR spectral data. Besides, the newly synthesized compounds were analysed for their in vitro potential antioxidant capacities in three different assays. All of the compounds demonstrated significant activity for metal chelating effect.

Syntheses, crystal structure, and electronic properties of the five ABaMQ{sub 4} compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Mesbah, Adel [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA / CNRS / UM / ENSCM, Site de Marcoule-Bâtiment 426, BP 17171, 30207 Bagnols-sur-Cèze Cedex (France); Prakash, Jai [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Rocca, Dario; Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique, et Modélisations CRM2 (UMR UHP-CNRS 7036), Faculté des Sciences et Techniques, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy Cedex (France); Beard, Jessica C.; Lewis, Benjamin A. [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States)

2016-01-15

Five new compounds belonging to the ABaMQ{sub 4} family were synthesized by solid-state chemistry at 1123 K. The compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} are isostructural and have the TlEuPS{sub 4} structure type. They crystallize in space group D{sup 16}{sub 2h} – Pnma of the orthorhombic system. Their structure consists isolated MQ{sub 4} tetrahedra separated by A and Ba atoms to form a salt-like structure. Density Functional Theory (DFT) calculations of the electronic structures with the use of the HSE functional suggest that the compounds are semiconductors with calculated band gaps of 3.3 eV (RbBaPS{sub 4}), 3.4 eV (CsBaPS{sub 4}), 2.3 eV (CsBaVS{sub 4}), and 1.6 eV (RbBaVSe{sub 4}). - Graphical abstract: General view of the ABaMQ{sub 4} structure down the a axis. - Highlights: • Five new ABaMQ{sub 4} compounds were synthesized by solid-state chemistry at 1123 K. • RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} have the TlEuPS{sub 4} structure type. • The compounds are semiconductors with calculated band gaps ranging from 1.6 to 3.4 eV.

Nucleobase-Based Barbiturates: Their Protective Effect against DNA Damage Induced by Bleomycin-Iron, Antioxidant, and Lymphocyte Transformation Assay

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Bhaveshkumar D. Dhorajiya

2014-01-01

Full Text Available A number of nucleobase-based barbiturates have been synthesized by combination of nucleic acid bases and heterocyclic amines and barbituric acid derivatives through green and efficient multicomponent route and one pot reaction. This approach was accomplished efficiently using aqueous medium to give the corresponding products in high yield. The newly synthesized compounds were characterized by spectral analysis (FT-IR, 1H NMR, 13C NMR, HMBC, and UV spectroscopy and elemental analysis. Representative of all synthesized compounds was tested and evaluated for antioxidant, bleomycin-dependent DNA damage, and Lymphocyte Transformation studies. Compounds TBC > TBA > TBG showed highest lymphocyte transformation assay, TBC > TBA > BG showed inhibitory antioxidant activity using ABTS methods, and TBC > BPA > BAMT > TBA > 1, 3-TBA manifested the best protective effect against DNA damage induced by bleomycin.

Labelled compounds. (Pt. B)

International Nuclear Information System (INIS)

Buncel, E.; Jones, J.R.

1991-01-01

Since the end of World War II there has been a tremendous increase in the number of compounds that have been synthesized with radioactive or stable isotopes. They have found application in many diverse fields, so much so, that hardly a single area in pure and applied science has not benefited. Not surprisingly it has been reflected in appearance of related publications. The early proceedings of the Symposia on Advances in Trace Methodology were soon followed by various Euratom sponsored meetings in which methods of preparing and storing labelled compounds featured prominently. In due course a resurgence of interest in stable isotopes, brought about by their greater availability (also lower cost) and partly by development of new techniques such as gas chromatography - mass spectrometry (gc-ms), led to the publication of proceedings of several successful conferences. More recently conferences dealing with the synthesis and applications of isotopes and isotopically labelled compounds have been established on a regular basis. In addition to the proceedings of conferences and journal publications individuals left their mark by producing definitive texts, usually on specific nuclides. Only the classic two volume publication of Murray and Williams (Organic syntheses with isotopes, New York 1985), now over 30 years old and out of print, attempted to do justice to several nuclides. With the large amount of work that has been undertaken since then it seems unlikely that an updated edition could be produced. The alternative strategy was to ask scientists currently active to review specific areas and this is the approach adopted in the present series of monographs. In this way it is intended to cover the broad advances that have been made in the synthesis and applications of isotopes and isotopically labelled compounds in the physical and biomedical sciences. (author). refs.; figs.; tabs

Coumarin or benzoxazinone bearing benzimidazolium and bis(benzimidazolium salts; involvement in transfer hydrogenation of acetophenone derivatives and hCA inhibition

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Mert Olgun Karataş

2015-10-01

Full Text Available Four new salts of benzimidazolium and bis(benzimidazolium which include coumarin or benzoxazinone moieties were synthesized and the structures of the newly synthesized compounds were elucidated on the basis of spectral analyses such as 1H-NMR, 13C-NMR, HSQC, IR, LC-MS and elemental analysis. Benzimidazolium salts were used intensively as N-heterocyclic carbene (NHC precursors in the various catalytic reactions such as transfer hydrogenation (TH, C-H bond activation, Heck, Suzuki reaction etc. With the prospect of potential NHC precursor properties of the synthesized compounds, they were employed in the (TH reaction of p-substitute acetophenones (acetophenone, p-methyl acetophenone, p-chloro acetophenone and good yields were observed. Coumarin compounds are known as inhibitor of carbonic anhydrase and inhibition effects of the synthesized compounds on human carbonic anhydrases (hCA were investigated as in vitro. The in vitro results demonstrated that all compounds inhibited hCA I and hCA II activity. Among the synthesized compounds 1,4-bis(1-((6,8-dimethyl-2H-chromen-2-one-4-ylmethylbenzimidazolium-3-ylbutane dichloride was found to be the most active IC50= 5.55 mM and 6.06 mM for hCA I and hCA II, respectively.

Synthesizing labeled compounds

International Nuclear Information System (INIS)

London, R.E.; Matwiyoff, N.A.; Unkefer, C.J.; Walker, T.E.

1983-01-01

A metabolic study is presented of the chemical reactions provided by isotopic labeling and NMR spectroscopy. Synthesis of 13 C-labeled D-glucose, a 6-carbon sugar, involves adding a labeled nitrile group to the 5-carbon sugar D-arabinose by reaction with labeled hydrogen cyanide. The product of this reaction is then reduced and hydrolyzed to a mixture of the labeled sugars. The two sugars are separated by absorption chromotography. The synthesis of 13 C-labeled L-tyrosine, an amino acid, is also presented

Synthesis, anti-inflammatory, analgesic and anticonvulsant activities of some new 4,6-dimethoxy-5-(heterocyclesbenzofuran starting from naturally occurring visnagin

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E.R. El-Sawy

2014-12-01

Full Text Available Novel 3-(4,6-dimethoxybenzofuran-5-yl-1-phenyl-1H-pyrazole-4-carboxaldehyde (3 and 3-chloro-3-(4,6-dimethoxybenzofuran-5-ylpropenal (4 were prepared via Vilsmeier–Haack reaction of 1-(4,6-dimethoxybenzofuran-5-ylethanone (1 and its hydrazone derivative 2. Reaction of compound 4 with some hydrazine derivatives, namely hydrazine hydrate, phenylhydrazine and benzylhydrazine hydrochloride led to the formation of pyrazole derivatives 5–8, respectively. On the other hand, reaction of compound 4 with thiourea, urea or guanidine gave the pyrimidine derivatives 9–11, respectively. Reaction of amino compound 11 with acetic anhydride, benzoyl chloride and benzenesulphonyl chloride yielded N-substituted pyrimidine derivatives 12–14, respectively. Reaction of diazonium salt of compound 11 with sodium azide afforded azidopyrimidine derivative 15, which upon reaction with ethyl acetoacetate gave 1,2,3-triazole derivative 16. Acid catalyzed reaction of 11 with p-nitrobenzaldehyde gave Schiff base 17, which cyclized upon reaction with thioglycolic acid or chloroacetyl chloride to give thiazolidin-4-one 18 and azetidin-2-one 19, respectively. The newly synthesized compounds were tested for their anti-inflammatory, analgesic and anticonvulsant activities. Depending on the obtained results, the newly synthesized compounds possess significant anti-inflammatory, analgesic and anticonvulsant activities.

Noval 1-substituted-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazole derivatives: Synthesis and pharmacological activity

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Sabir Hussain

2015-05-01

Full Text Available Several-1-carbothioamide-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 2a–d, 1-(pyridine-4-ylcarbonyl-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 3a–d, 1-(5-chloro-6-fluoro-1,3-benzothiazole-2-ylthiocarbamoyl-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 4a–d and 1-[(1,2,4-triazole-4-yl carbothioamide]-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 5a–d were synthesized. The structures of the newly synthesized compounds were supported by IR, 1H NMR and mass spectral data. These compounds were investigated for their, anti-inflammatory, analgesic, ulcerogenic, lipid peroxidation, antibacterial and antifungal activities. Some of the synthesized compounds showed potent anti-inflammatory activity along with minimal ulcerogenic effect and lipid peroxidation, compared to ibuprofen and flurbiprofen. Some of the tested compounds also showed moderate antimicrobial activity against tested bacterial and fungal strains.

Synthesis of Novel Heterocyclic Compounds Incorporate 4,5,6,7-Tetrahydrobenzo[b]thiophene Together with Their Cytotoxic Evaluations.

Science.gov (United States)

Abdallah, Amira Elsayed Mahmoud; Mohareb, Rafat Milad; Khalil, Eid Metwally; Elshamy, Menna Alla Mohamed Abd Elaleem

2017-01-01

The 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene was the key starting compound used to synthesize new thiazole, pyrimidine, pyran, pyridine and thiazine derivatives. The cytotoxicity of the synthesized compounds was studied towards the three cancer cell lines namely MCF-7 (breast adenocarcinoma), NCI-H460 (non-small cell lung cancer) and SF-268 (central nervous system (CNS) cancer) in addition to the normal cell line (WI-38) using doxorubicin as the reference drug. The study showed that compounds 5, 9a, 15b, 17c, 18 and 21b were the most potent compounds.

Dendrimer encapsulated Silver nanoparticles as novel catalysts for reduction of aromatic nitro compounds

Science.gov (United States)

Asharani, I. V.; Thirumalai, D.; Sivakumar, A.

2017-11-01

Polyethylene glycol (PEG) core dendrimer encapsulated silver nanoparticles (AgNPs) were synthesized through normal chemical reduction method, where dendrimer acts as reducing and stabilizing agent. The encapsulated AgNPs were well characterized using TEM, DLS and XPS techniques. The synthesized AgNPs showed excellent catalytic activity towards the reduction of aromatic nitro compounds with sodium borohydride as reducing agent and the results substantiate that dendrimer encapsulated AgNPs can be an effective catalyst for the substituted nitro aromatic reduction reactions. Also the kinetics of different nitro compounds reductions was studied and presented.

Enhanced ethanol production, volatile compound biosynthesis and fungicide removal during growth of a newly isolated Saccharomyces cerevisiae strain on enriched pasteurized grape musts

Energy Technology Data Exchange (ETDEWEB)

Sarris, Dimitris; Kotseridis, Yorgos; Galiotou-Panayotou, Maria; Papanikolaou, Seraphim [Department of Food Science and Technology, Agricultural University of Athens (Greece); Linga, Maria [Oinognosia, Wine analysis and consulting, Kiato (Greece)

2009-02-15

The kinetic behavior of a newly isolated Saccharomyces cerevisiae strain, grown on pasteurized grape musts enriched with industrial sugars, was studied after the addition of various concentrations [0.0 (reference), 0.4 and 2.4 mg/L] of the fungicide quinoxyfen to the medium. Batch-flask cultures were carried out. Significant quantities of biomass (10.0{+-}0.8 g/L) were produced regardless of quinoxyfen addition to the medium; therefore, the addition of the fungicide did not seriously inhibit biomass production. Ethanol was synthesized in very high quantities in all trials (highest concentrations 106.4-119.2 g/L). A slight decrease of ethanol production in terms of both absolute value and conversion yield of ethanol produced per sugar consumed was, however, observed when the quinoxyfen concentration was increased. The addition of quinoxyfen led to significantly lower ethylic ester levels, which also pertains to the acetates analyzed in this study. Fusel alcohol synthesis seemed to be activated when 0.4 mg/L quinoxyfen was added, but at 2.4 mg/L of added fungicide, no statistically significant differences were observed compared with the control trial. Volatile acid levels did not present a uniform trend in relation with the added fungicide. Finally, the fermentation was accompanied by a significant reduction of the fungicide concentration (79-82 wt% fungicide removal). (Abstract Copyright [2009], Wiley Periodicals, Inc.)

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.

Enhancement of the radiation-lethal effect of hypoxic cancer cells by some nitroheterocyclic compounds. Part of a coordinated programme on the improvement of radiotherapy of cancer using modifiers of radiosensitivity of cells

International Nuclear Information System (INIS)

Chiricuta, I.

1981-12-01

The possibilities to enhance the lethal effect of ionizing radiation on hypoxic cells by electron-affinic compounds have stimulated the investigations for finding new chemicals with radiobiological and pharmacological features as adequate as possible. On the other hand, the experimental studies and clinical trials had shown that the aerobic toxicity seems to be the major limiting factor in the use of large doses of radiosensitizers required to achieve significant therapeutic efficiency. The investigations in the present paper were attempted to join these two main directions of research and comprised the syntheses of new nitroheterocyclic compounds with potential radiosensitization properties and the knowledge of biochemical alterations involved in the producing of aerobic toxicity of radiosensitizers aiming to find practical solutions to enhance the efficiency of radiotherapy. Several newly synthesized compounds were tested for their radiosensitizing effect. The experiments carried out on hypoxic cells V 79 showed that only 1-(hydroxyethyl-2'-phosphate)-2-methyl-5-nitroimidazole, dipotassium salt displayed an enhancement ratio of 1.17 (at 8 mM), but lower than in case of parent compound, metronidazole (enhancement ratio = 1.53). It was shown that hypoxic cell radiosensitizers interfere with the cellular energy metabolism. These interferences were found dependent on the electron affinity of drugs. In addition, those radiosensitizers producing a decrease in oxygen consumption caused a supplementary oxygenation of both normal and tumour tissues. It is concluded that the improvement of therapeutic efficiency of radiosensitizers by reducing their aerobic toxicity might be achieved by diminishing their effects on the energy metabolism or by the stimulation of this metabolism and restoration of tissue redox equilibrium

Cobalt, nickel and cadmium coordination compounds with phenylacetylhydrazine

Energy Technology Data Exchange (ETDEWEB)

Machkhoshvili, R.I.; Metreveli, D.P.; Mitaishvili, G.Sh.; Shchelokov, R.N.

1985-03-01

In the process of interaction of aqueous-ethanol solutions of chlorides, sulphates, nitrates, thiocyanates of cobalt, nickel, cadmium and phenylacetylhydrazine in neutral or low-acid medium coordination compounds: (M(EAG)/sub 3/)X/sub 2/ (M=Co, Ni; X=Cl, 1/2SO/sub 4/, NO/sub 3/), Cd(FAG)/sub 2/X/sub 2/ (X = Cl, 1/2SO/sub 4/, NCS), Ni(EAG)/sub 2/(NCS)/sub 2/, where FAG C/sub 6/H/sub 5/CH/sub 2/xCONHNH/sub 2/, have been synthesized. In the reactions of aqueous-ethanol solutions of (Co(NH/sub 3/)/sub 5/Cl)Cl/sub 2/ and phenylacetylhydrazine the complex Co(C/sub 6/H/sub 5/CH/sub 2/CONNH/sub 2/)/sub 3/ is prepared. Certain physicochemical properties and IR absorption spectra of the coordination compounds synthesized are studied.

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.

Radiocarbon content of synthetic and natural semi-volatile halogenated organic compounds

International Nuclear Information System (INIS)

Reddy, C.M.; Xu Li; Eglinton, T.I.; Boon, J.P.; Faulkner, D.J.

2002-01-01

New developments in molecular-level 14 C analysis techniques enable clues about natural versus commercial synthesis of trace organic contaminants. - Some halogenated organic compounds, such as polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs) and polybrominated diphenyl ethers (PBDEs), have been suggested to have natural sources but separating these compounds from their commercially synthesized counterparts is difficult. Molecular-level 14 C analysis may be beneficial since most synthetic compounds are manufactured from petrochemicals ( 14 C-free) and natural compounds should have 'modern' or 'contemporary' 14 C levels. As a baseline study, we measured, for the first time, the 14 C abundance in commercial PCB and PBDE mixtures, a number of organochlorine pesticides, as well as one natural product 2-(3', 5'-dibromo-2'-methoxyphenoxy)-3,5-dibromoanisole. The latter compound was isolated from a marine sponge and is similar in structure to a PBDE. All of the synthetic compounds were 14 C-free except for the pesticide toxaphene, which had a modern 14 C abundance, as did the brominated natural compound. The result for toxaphene was not surprising since it was commercially synthesized by the chlorination of camphene derived from pine trees. These results suggest that measuring the 14 C content of halogenated organic compounds may be quite useful in establishing whether organic compounds encountered in the environment have natural or synthetic origins (or both) provided that any synthetic counterparts derive from petrochemical feedstock

Studies on the site of protein and RNA syntheses in poxvirus-infected cells

Energy Technology Data Exchange (ETDEWEB)

Sakaue, Y [Osaka Univ. (Japan). Research Inst. for Microbial Diseases

1974-04-01

Pulse labelling of short time and the chase of it were conducted to Poxvirus-infected cells using /sup 3/H-uridine and /sup 3/H-leucine with high concentration, and autoradiography (AR) was taken. As the result, protein synthesis, which was in accordance with ''B''-type inclusion, was markedly observed in one-minute labelling at the site of protein synthesis of infected cells. Although the protein synthesis was observed at the peripheral site of ''A''-type inclusion, it was not found within inclusions. However, it was found from the experiment of chase that protein collected markedly within ''B''-type inclusion. They were found that ''B''-type inclusion is the site of Virus DNA synthesis as well as the site of Virus mRNA synthesis, and that it is also absolutely possible for ''B''-type inclusion to synthesize Virus protein. In addition, it was found that ''A''-type inclusion is not the site of synthesis, but newly-synthesized protein.

Studies on the site of protein and RNA syntheses in poxvirus-infected cells

International Nuclear Information System (INIS)

Sakaue, Yoshihiro

1974-01-01

Pulse labelling of short time and the chase of it were conducted to Poxvirus-infected cells using 3 H-uridine and 3 H-leucine with high concentration, and autoradiography (AR) was taken. As the result, protein synthesis, which was in accordance with ''B''-type inclusion, was markedly observed in one-minute labelling at the site of protein synthesis of infected cells. Although the protein synthesis was observed at the peripheral site of ''A''-type inclusion, it was not found within inclusions. However, it was found from the experiment of chase that protein collected markedly within ''B''-type inclusion. They were found that ''B''-type inclusion is the site of Virus DNA synthesis as well as the site of Virus mRNA synthesis, and that it is also absolutely possible for ''B''-type inclusion to synthesize Virus protein. In addition, it was found that ''A''-type inclusion is not the site of synthesis, but newly-synthesized protein. (Ichikawa, K.)

Synthesis, reactions, and antiarrhythmic activities of some novel pyrimidines and pyridines fused with thiophene moiety

OpenAIRE

AMR, Abdel-Galil El-Sayed; ABDEL-HAFEZ, Naglaa Abdel-Samei

2009-01-01

We report herein the synthesis and antiarrhythmic activities of some newly synthesized heterocyclic theino[2,3-c]pyrimidine and theino[2,3-c]pyridine derivatives fused with thiophene moiety. Initially the acute toxicity of the compounds was assayed via the determination of their LD50. The antiarrhythmic activities for the compounds were determined and all the tested compounds were found more potent than Procaine amide\\textregistered and Lidocaine\\textregistered as positive antiarrhyth...

Synthesis, reactions, and antiarrhythmic activities of some novel pyrimidines and pyridines fused with thiophene moiety

OpenAIRE

AMR, Abdel-Galil El-Sayed; ABDEL-HAFEZ, Naglaa Abdel-Samei; MOHAMED, Salwa Fahem; ABDALLA, Mohamed Mostafa

2014-01-01

We report herein the synthesis and antiarrhythmic activities of some newly synthesized heterocyclic theino[2,3-c]pyrimidine and theino[2,3-c]pyridine derivatives fused with thiophene moiety. Initially the acute toxicity of the compounds was assayed via the determination of their LD50. The antiarrhythmic activities for the compounds were determined and all the tested compounds were found more potent than Procaine amide\\textregistered and Lidocaine\\textregistered as positive antiarrhyth...

Organoboron compounds as Lewis acid receptors of fluoride ions in polymeric membranes.

Science.gov (United States)

Jańczyk, Martyna; Adamczyk-Woźniak, Agnieszka; Sporzyński, Andrzej; Wróblewski, Wojciech

2012-07-06

Newly synthesized organoboron compounds - 4-octyloxyphenylboronic acid (OPBA) and pinacol ester of 2,4,6-trifluorophenylboronic acid (PE-PBA) - were applied as Lewis acid receptors of fluoride anions. Despite enhanced selectivity, the polymer membrane electrodes containing the lipophilic receptor OPBA exhibited non-Nernstian slopes of the responses toward fluoride ions in acidic conditions. Such behavior was explained by the lability of the B-O bond in the boronic acids, and the OH(-)/F(-) exchange at higher fluoride content in the sample solution. In consequence, the stoichiometry of the OPBA-fluoride complexes in the membrane could vary during the calibration, changing the equilibrium concentration of the primary anion in membrane and providing super-Nernstian responses. The proposed mechanism was supported by (19)F NMR studies, which indicated that the fluoride complexation proceeds more effectively in acidic solution leading mainly to PhBF(3)(-) species. Finally, the performances of the membranes based on the phenylboronic acid pinacol ester, with a more stable B-O bond, were tested. As it was expected, Nernstian fluoride responses were recorded for such membranes with worsened fluoride selectivity. Copyright © 2012 Elsevier B.V. All rights reserved.

Novel Evaporation Process for Deposition of Kesterite Thin Films Synthesized by Solvothermal Method

Directory of Open Access Journals (Sweden)

J. A. Estrada-Ayub

2017-01-01

Full Text Available Kesterite, a quaternary compound of Cu2ZnSnS4, is a promising option as a material absorber to reduce the cost of photovoltaic solar cells. The solvothermal method is a way to synthesize nanoparticles of this material. In this work, once synthesized, particles were deposited on a substrate through evaporation, and their morphological, structural, and optical properties were studied. Results show that changes of precursor ratios during solvothermal synthesis result in a modification of particle morphology but not on its size. The deposition of already synthesized kesterite through evaporation preserves kesterite structure and permits the formation of a homogenous film on a substrate. Optical reflectance and transmittance measurements allowed estimating the band-gap energy between 1.41 and 1.46 eV for representative samples, which is near the optimum for the absorber material.

Synthesis, Antimicrobial and Antitubercular Activities of Some Novel ...

African Journals Online (AJOL)

The newly synthesized compounds were characterized by infrared spectroscopy (IR), mass spectroscopy (MS) and proton nuclear magnetic spectroscopy (1H NMR) and elemental analysis; they were also screened for in vitro antibacterial, antifungal and antitubercular activities. Ciprofloxacin and ketoconazole were used as ...

Correlation between the structure and infra-red absorption characteristics of mono-deuterated compounds: contribution to the study of organo-magnesium compounds

International Nuclear Information System (INIS)

Paillous, A.

1965-10-01

The high sensitivity of the ν (C-D) vibration to the variations brought about by the substitution of the carbon attached to the deuterium is shown in the case of organic or organo-metallic mono-deuterated molecules. In particular, syntheses of various mono-deuterated organo-magnesium compounds have been carried out; results are given concerning an infra-red spectrometric examination of these compounds in the range 2100 - 2250 cm -1 . The results show the existence of only one type of deuterated carbon, which suggests that the same carbanion is involved in various ionic associations for the different magnesium-containing compounds. (authors) [fr

Syntheses of monomers in the reaction of hexamethylolmelamine with 2-hydroxyethyl acrylate and their photocuring

International Nuclear Information System (INIS)

Huhui Houlianbo Hufei

1999-01-01

A process has been developed for the syntheses of monomers from 2-hydroxyethyl acrylate and hexamethylolmelamine. Their structure were identified by IR and sub 1H-NMR. The photocuring characteristics of these compound and properties of the UV-cured films have been studied

Mechanistic Study of Oxygen Atom Transfer Catalyzed by Rhenium Compounds

Energy Technology Data Exchange (ETDEWEB)

Shan, Xiaopeng [Iowa State Univ., Ames, IA (United States)

2003-01-01

Two ionic and one neutral methyl(oxo)rhenium(V) compounds were synthesized and structurally characterized. They were compared in reactivity towards the ligands triphenylphosphane, pyridines, pyridine N-oxides. Assistance from Broensted bases was found on ligand displacement of ionic rhenium compounds as well as nucleophile assistance on oxidation of all compounds. From the kinetic data, crystal structures, and an analysis of the intermediates, a structural formula of PicH⁺3^- and mechanisms of ligand displacement and oxidation were proposed.

Synthesis of 4-aryl-2,6-dimethyl-3,5-bis-N-(aryl-carbamoyl-1,4-dihydropyridines as novel skin protecting and anti-aging agents

Directory of Open Access Journals (Sweden)

Aamer Saeed

2017-06-01

Full Text Available A series of 4-aryl-2,6-dimethyl-3,5-bis-N-(aryl-carbamoyl-1,4-dihydropyri-dines 6a-6h were prepared by using the one-pot three component synthetic method. The target compounds 6a-6h were synthesized by reacting two molar equivalents of ketone functionality and one mole of aromatic aldehydes in ammonium acetate to obtain the desired products. The structures of newly synthesized compounds were characterized by FT-IR, 1H-NMR, 13C-NMR, and elemental analysis. All the synthesized compounds were screened for their elastase inhibition and antioxidant activity. Almost all of the com-pounds 6a-h showed good to excellent activities against elastase enzyme more than the reference drug. Compounds 6d and 6b at 0.2 ± 0.0 µM and 0.2 ± 0.0 µM were found to most potent derivatives against elastase enzyme. Compound 6a exhibited prominent free radical scavenging activity. From the results of the biological activity, we infer that some derivatives can serve as lead molecules in pharmacology.

Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs

OpenAIRE

Lin, Chun-Yuan; Wang, Chung-Hung; Hung, Che-Lun; Lin, Yu-Shiang

2015-01-01

Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n 2), where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore,...

Nanocomposite Ti-B-N coatings synthesized by reactive arc evaporation

International Nuclear Information System (INIS)

Neidhardt, Joerg; Czigany, Zsolt; Sartory, Bernhard; Tessadri, R.; O'Sullivan, Michael; Mitterer, Christian

2006-01-01

Nanocomposite Ti-B-N coatings have been prepared by reactive arc evaporation from Ti-B compound targets. The highly ionized flux of film-forming species was utilized to synthesize a promising nanocrystalline metastable supersaturated solid solution of boron in TiN at lower nitrogen fractions. The combined results from elastic recoil detection, X-ray photoelectron spectroscopy, X-ray diffraction, high-resolution transmission electron microscopy and selected area electron diffraction indicate that the additional nitrogen incorporated at higher partial pressures triggers the formation of a separate amorphous BN matrix phase surrounding the 6-8 nm sized face-centered cubic crystallites. A maximum in the hardness is obtained for the strained TiBN crystallites surrounded by a small fraction of boron synthesized at a nitrogen fraction of 0.1, while the formation of the amorphous BN phase leads to lower values

Synthesis of complex compounds in the system [ReOG5]2--thiosemicarbazone acetone-Hg-acetone

International Nuclear Information System (INIS)

Amindzhanov, A.A.; Kurbanov, N.M.

1993-01-01

Present article is devoted to synthesis of complex compounds in the system [ReOG 5 ] 2- -thiosemicarbazone acetone-Hg-acetone. The literature data on complex compounds of various metals with thiosemicarbazone was summarized. The synthesis of complex compounds in the system [ReOG 5 ] 2- -thiosemicarbazone acetone-Hg-acetone was conducted. The complex compounds of rhenium with methyl ident thiosemicarbazone were synthesized.

Synthesis of tetravalent actinide chlorides. Versatile compounds for actinide chemistry

Energy Technology Data Exchange (ETDEWEB)

Maerz, Juliane [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Div. Chemistry of the F-Elements

2016-07-01

Anhydrous actinide tetrachlorides (AnCl{sub 4}) were synthesized under mild conditions to provide versatile compounds for actinide chemistry. They enable a direct access to actinide complexes with organic and inorganic ligands.

Analyzing compound and project progress through multi-objective-based compound quality assessment.

Science.gov (United States)

Nissink, J Willem M; Degorce, Sébastien

2013-05-01

Compound-quality scoring methods designed to evaluate multiple drug properties concurrently are useful to analyze and prioritize output from drug-design efforts. However, formalized multiparameter optimization approaches are not widely used in drug design. We rank molecules synthesized in drug-discovery projects using simple and aggregated desirability functions reflecting medicinal chemistry 'rules'. Our quality score deals transparently with missing data, a key requirement in drug-hunting projects where data availability is often limited. We further estimate confidence in the interpretation of such a compound-quality measure. Scores and associated confidences provide systematic insight in the quality of emerging chemical equity. Tracking quality of synthetic output over time yields valuable insight into the progress of drug-design teams, with potential applications in risk and resource management of a drug portfolio.

Effect of newly synthesized compounds 44Bu and 444 on QRS -complex width and fast sodium current

Czech Academy of Sciences Publication Activity Database

Kilianová, A.; Bébarová, M.; Beránková, K.; Opatřilová, R.; Pásek, Michal; Bartošová, L.

2010-01-01

Roč. 79, č. 1 (2010), s. 41-49 ISSN 0001-7213 Institutional research plan: CEZ:AV0Z20760514 Keywords : 444 * 44Bu * QRS-complex * sodium current * rat Subject RIV: BO - Biophysics Impact factor: 0.534, year: 2010

Synthesis of Peripherally Tetrasubstituted Phthalocyanines and Their Applications in Schottky Barrier Diodes

Directory of Open Access Journals (Sweden)

Semih Gorduk

2017-01-01

Full Text Available New metal-free and metallophthalocyanine compounds (Zn, Co, Ni, and Cu were synthesized using 2-hydroxymethyl-1,4-benzodioxan and 4-nitrophthalonitrile compounds. All newly synthesized compounds were characterized by elemental analysis, FT-IR, UV-Vis, 1H-NMR, MALDI-TOF MS, and GC-MS techniques. The applications of synthesized compounds in Schottky barrier diodes were investigated. Ag/Pc/p–Si structures were fabricated and charge transport mechanism in these devices was investigated using dc technique. It was observed from the analysis of the experimental results that the charge transport can be described by Ohmic conduction at low values of the reverse bias. On the other hand, the voltage dependence of the measured current for high values of the applied reverse bias indicated that space charge limited conduction is the dominant mechanism responsible for dc conduction. From the observed voltage dependence of the current density under forward bias conditions, it has been concluded that the charge transport is dominated by Poole-Frenkel emission.

Titanium zirconium and hafnium coordination compounds with vanillin thiosemicarbazone

International Nuclear Information System (INIS)

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

1987-01-01

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

Radical C-H functionalization to construct heterocyclic compounds.

Science.gov (United States)

Yu, Jin-Tao; Pan, Changduo

2016-02-07

Heterocyclic compounds are widely present in natural products, pharmaceuticals and bioactive molecules. Thus, organic and pharmaceutical chemists have been making extensive efforts to construct those heterocyclic frameworks through developing versatile and efficient synthetic strategies. The direct C-H functionalization via the radical pathway has emerged as a promising and dramatic approach towards heterocycles with high atom- and step-economy. Heterocyclic compounds such as coumarins, furans, benzofurans, xanthones, benzothiazoles, indoles, indolines, oxindoles, quinolines, isoquinolines, quinoxaline, and phenanthridines have been successfully synthesized by C-H functionalization through the radical pathway. In this review, recent advances on radical C-H functionalization to construct heterocyclic compounds are highlighted with discussions.

Enantioselctive Syntheses of Sulfur Analogues of Flavan-3-Ols

Directory of Open Access Journals (Sweden)

Richard Lombardy

2010-08-01

Full Text Available The first enantioselective syntheses of sulfur flavan-3-ol analogues 1–8 have been accomplished, whereby the oxygen atom of the pyran ring has been replaced by a sulfur atom. The key steps were: (a Pd(0 catalyzed introduction of –S t-butyl group, (b Sharpless enantioselective dihydroxylation of the alkene, (c acid catalyzed ring closure to produce the thiopyran ring, and (d removal of benzyl groups using N,N-dimethylaniline and AlCl3. The compounds were isolated in high chemical and optical purity.

The Stability of Bioactive Compounds in Spaceflight Foods

Science.gov (United States)

Cooper, M. R.; Douglas, G. L.

2017-01-01

The status and stability of bioactive compounds in the processed and shelf-stable spaceflight food system have not previously been investigated though the presence of such compounds in aged space foods could have health significance for crews on long duration exploration missions. Over forty foods - either existing International Space Station (ISS) food provisioning items, newly developed foods for spaceflight, or commercially-available ready-to-eat foods - that were predicted to have a relatively high concentrations of one or more bioactive compounds (lycopene, lutein, omega-3 fatty acids, phenolics, sterols, and/or flavonoids) were selected for the study. Food samples were sent overnight to the Food Composition Laboratory of the Linus Pauling Institute at Oregon State University (Corvallis, OR) for bioactive compound analysis. Three packages of each product were blended together for the analysis to reduce package-to-package variability. All ISS food items and commercial foods were analyzed initially and after 12 and 24 months of 21degC storage. Food development occurred in a staggered fashion, so data collection for the newly developed foods continues. Lastly, sensory evaluation and additional temperature storage data (4degC, 35degC) for select foods were collected to establish additional stability parameters. Efficacious concentrations of lycopene, lutein, and omega-3 fatty acids were measured in limited spaceflight foods; two grams of sterols a day may be difficult to achieve with the current space diet. Total polyphenol delivery appears stable and adequate, but individual phenolic compounds vary in stability and were not specifically evaluated in this study. The data suggests that some bioactive compounds, like lycopene and lutein, degrade and then plateau at some equilibrium concentration. The anthocyanin stability appears to be related to storage temperature and food matrix, and lutein stability in leafy vegetables may be impacted by storage temperature

Compounds of Fe-Zn bond

International Nuclear Information System (INIS)

Mauro, A.E.; Mancini, M.N.G.

1981-01-01

The compounds of the type L 1 L 2 ZnFe(CO) 4 , not yet reported, are synthesized and studied by infrared spectroscopy. The data are interpreted based on a monomeric structure with a local C sub(3v) symmetry around the iron atom. L 1 = methylamine (Mea), dimethylamine (diMea), trimethylamine (triMea) L 2 = ethylenediamine (en), N-methylethylenediamine (N,Meen), N,N-dimethylenthylenediamines, (s-diMeen). (Author) [pt

In-vitro antimicrobial screening and molecular docking studies of synthesized 2-chloro-N-(4-phenylthiazol-2-ylacetamide derivatives

Directory of Open Access Journals (Sweden)

Rahmat Ali

2015-01-01

Full Text Available Introduction: Glucosamine-6-phosphate (GlcN6P synthase biosynthetic pathway has been identified as potential targets for the development of new antimicrobial agents. Aim: A series of 2-chloro-N-(42-phenylthiazol-25-ylacetamide derivatives (3a-r was synthesized and evaluated their antimicrobial activity. Materials and Methods: The 2-chloro-N-(Para substituted phenylthiazol-25-yl acetamide (2a-c were synthesized by stirring intermediates (1a-c with 2-chloroacetylchloride in dichloromethane in the presence of K2CO3. The intermediate (2a-c were further reacted with different secondary amine such as pyrrolidine, N-methyl piperazine, N-ethyl piperazine, thiomorpholine, morpholine, piperidine etc in ethanol in presence of TEA Triethylamine (TEA to get desired compounds (3a-r. Compounds were characterized by a spectroscopic technique such as Fourier transform infraredFTIR, 1 H-NMR, 13 C-NMR, and mass spectrometry. The synthesized thiazole derivatives (3a-r were screened for anti-bacterial and anti-fungal activity against Escherichia coli, Staphylococcus aureus NCTC 6571, Pseudomonas aeruginosa NCTC 10662, CandidaC. albicans (MTCC-183, AspergillusA. niger (MTCC 281 NCTC 10418 and AspergillusA. flavus (MTCC 277. Result and Conclusion: The results of anti-bacterial screening revealed that among all the screened compounds, eight compounds viz. 3b, 3c, 3d, 3e, 3i, 3j, 3k, and 3p showed moderate to good anti-bacterial and antifungal activity having minimum inhibitory concentration (MIC between 6.25- and 25 µg/ml. While compound 3d showed the most promising antibacterial activity against E. coli and S. aureus, while the compound 3j showed promising antifungal activity with MIC value 6.25 µg/ml against C. albicans, A. niger and A. flavus. In addition, all these eight potential molecules were also examined for possible binding on enzyme GlcN6Pglucosamine-6-phosphate synthase by molecular docking studies on (PDB ID 1JXA.

Fabrication and thermoelectric properties of fine-grained TiNiSn compounds

International Nuclear Information System (INIS)

Zou Minmin; Li Jingfeng; Du Bing; Liu Dawei; Kita, Takuji

2009-01-01

Nearly single-phased TiNiSn half-Heusler compound thermoelectric materials were synthesized by combining mechanical alloying (MA) and spark plasma sintering (SPS) in order to reduce its thermal conductivity by refining the grain sizes. Although TiNiSn compound powders were not synthesized directly via MA, dense bulk samples of TiNiSn compound were obtained by the subsequent SPS treatment. It was found that an excessive Ti addition relative to the TiNiSn stoichiometry is effective in increasing the phase purity of TiNiSn half-Heusler phase in the bulk samples, by compensating for the Ti loss caused by the oxidation of Ti powders and MA processing. The maximum power factor value obtained in the Ti-compensated sample is 1720 μW m -1 K -2 at 685 K. A relatively high ZT value of 0.32 is achieved at 785 K for the present undoped TiNiSn compound polycrystals. - Graphical abstract: Nearly single-phased TiNiSn-based half-Heusler compound polycrystalline materials with fine grains were fabricated by combining mechanical alloying (MA) and spark plasma sintering (SPS). A high ZT value for undoped TiNiSn was obtained because of the reduced thermal conductivity.

Toxicology of organophosphorus compounds in view of an increasing terrorist threat.

Science.gov (United States)

Worek, Franz; Wille, Timo; Koller, Marianne; Thiermann, Horst

2016-09-01

The implementation of the Chemical Weapon Convention (CWC), prohibiting the development, production, storage and use of chemical weapons by 192 nations and the ban of highly toxic OP pesticides, especially class I pesticides according to the WHO classification, by many countries constitutes a great success of the international community. However, the increased interest of terrorist groups in toxic chemicals and chemical warfare agents presents new challenges to our societies. Almost seven decades of research on organophosphorus compound (OP) toxicology was mainly focused on a small number of OP nerve agents despite the fact that a huge number of OP analogues, many of these agents having comparable toxicity to classical nerve agents, were synthesized and published. Only limited physicochemical, toxicological and medical information on nerve agent analogues is available in the open literature. This implies potential gaps of our capabilities to detect, to decontaminate and to treat patients if nerve agent analogues are disseminated and may result in inadequate effectiveness of newly developed countermeasures. In summary, our societies may face new, up to now disregarded, threats by toxic OP which calls for increased awareness and appropriate preparedness of military and civilian CBRN defense, a broader approach for new physical and medical countermeasures and an integrated system of effective detection, decontamination, physical protection and treatment.

Synthesis of novel liquid crystal compounds and their blood compatibility as anticoagulative materials

International Nuclear Information System (INIS)

Tu Mei; Cha Zhenhang; Feng Bohua; Zhou Changren

2006-01-01

The objective of this study was to synthesize new types of cholesteric liquid crystal compounds and study the anticoagulative properties of their composite membranes. Three kinds of cholesteric liquid crystal compounds were synthesized and characterized by infrared spectroscopy, differential scanning calorimetry and optical polarizing microscope. The polysiloxane, as a substrate, was blended with three liquid crystal compounds and was then used as membranes. The anticoagulative property of different polysiloxane liquid crystal composite membranes was identified by the blood compatibility tests. Three cholesteryl liquid crystals synthesized in this work contained hydrophilic soft chains and presented iridescent texture owned by cholesteric liquid crystals in the range of their liquid crystal state temperature, but only cholesteryl acryloyl oxytetraethylene glycol carbonate was in the liquid crystal state at body temperature. When liquid crystals were blended with polysiloxane to form polysiloxane/liquid crystal composite membranes, the haemocompatibility of these membranes could be improved to some extent. The blood compatibility of composite membranes whose hydrophilic property was the best was more excellent than that of other composite membranes, fewer platelets adhered and spread, and showed little distortion on the surface of materials

Cinnamoyl compounds as simple molecules that inhibit p300 histone acetyltransferase.

Science.gov (United States)

Costi, Roberta; Di Santo, Roberto; Artico, Marino; Miele, Gaetano; Valentini, Paola; Novellino, Ettore; Cereseto, Anna

2007-04-19

Cinnamoly compounds 1a-c and 2a-d were designed, synthesized, and in vitro tested as p300 inhibitors. At different degrees, all tested compounds were proven to inactivate p300, particularly, derivative 2c was the most active inhibitor, also showing high specificity for p300 as compared to other histone acetyltransferases. Most notably, 2c showed anti-acetylase activity in mammalian cells. These compounds represent a new class of synthetic inhibitors of p300, characterized by simple chemical structures.

Single-catalyst high-weight% hydrogen storage in an N-heterocycle synthesized from lignin hydrogenolysis products and ammonia.

Science.gov (United States)

Forberg, Daniel; Schwob, Tobias; Zaheer, Muhammad; Friedrich, Martin; Miyajima, Nobuyoshi; Kempe, Rhett

2016-10-20

Large-scale energy storage and the utilization of biomass as a sustainable carbon source are global challenges of this century. The reversible storage of hydrogen covalently bound in chemical compounds is a particularly promising energy storage technology. For this, compounds that can be sustainably synthesized and that permit high-weight% hydrogen storage would be highly desirable. Herein, we report that catalytically modified lignin, an indigestible, abundantly available and hitherto barely used biomass, can be harnessed to reversibly store hydrogen. A novel reusable bimetallic catalyst has been developed, which is able to hydrogenate and dehydrogenate N-heterocycles most efficiently. Furthermore, a particular N-heterocycle has been identified that can be synthesized catalytically in one step from the main lignin hydrogenolysis product and ammonia, and in which the new bimetallic catalyst allows multiple cycles of high-weight% hydrogen storage.

Investigation of the Mesostructure of Transition-Metal Monogermanides Synthesized under Pressure

Science.gov (United States)

Safiulina, I. A.; Altynbaev, E. V.; Iashina, E. G.; Heinemann, A.; Fomicheva, L. N.; Tsvyashchenko, A. V.; Grigoriev, S. V.

2018-04-01

The mesostructure of transition-metal monogermanides Mn1 - x Co x Ge is studied by small-angle neutron scattering in a wide range of concentrations x = 0-0.95. These compounds were synthesized under high pressure and are metastable under normal conditions. The experimental dependences I( Q) obtained for the whole series of samples in the range of transferred momenta (6 × 10-2 nm-1 interesting to note that such defects are absent in the isostructural FeGe compound, i.e., the experimental dependences of the intensity are described well by the expression Q - n with an exponent n = 4.1 ± 0.1, which demonstrates the presence of crystallites with a uniform density distribution inside and a sharp boundary characterizing the surface.

Synthesis and optoelectronic characterization of some triphenylamine-based compounds containing strong acceptor substituents

Energy Technology Data Exchange (ETDEWEB)

Grigoras, Mircea, E-mail: grim@icmpp.ro; Ivan, Teofilia; Vacareanu, Loredana; Catargiu, Ana Maria; Tigoianu, Radu

2014-09-15

Three novel triphenylamine-based compounds containing strong electron acceptor groups have been synthesized and their comparative photophysical properties are presented. These compounds were obtained by a two-step method: (i) triphenylamine compounds with one, two and three phenylacetylene arms were synthesized by Sonogashira reaction between iodine-substituted triphenylamines and phenylacetylene, followed by (ii) post-modification of these electron-rich alkynes by addition of the strong electron acceptor, tetracyanoethylene. Characterization of all oligomers was made by FTIR, {sup 1}H-NMR, UV–vis and fluorescence spectroscopy. A batochromic shifting of the UV and photoluminescence maxima was observed with the increase of the acceptor group number. The electrochemical behavior was studied by cyclic voltammetry. The cyclic voltammograms have evidenced that triphenylamine-phenylacetylene compounds undergo only oxidation processes while compounds modified with tetracyanoethylene show both oxidation and reduction peaks associated with donor and acceptor groups, respectively. The donor–acceptor compounds coordinate metal ions (i.e., Hg{sup 2+} and Sn{sup 2+}) by cyano groups resulting in the decreasing of charge transfer band intensity, and they can be used as chemosensors. - Highlights: • Three triphenylamine-based ethynylene compounds were prepared by Sonogashira reaction. • Post-modification of ethynylene linkages by tetracyanethylene cycloaddition and retroconversion led to donor–acceptor compounds. • Photophysical properties of donor–acceptor oligomers were studied in different solvents.

Benzyl 2-((E-Tosyliminomethylphenylcarbamate

Directory of Open Access Journals (Sweden)

Kwang Min Ko

2016-10-01

Full Text Available Benzyl 2-((E-tosyliminomethylpenylcarbamate was prepared in good yield and characterized by the condensation reaction of benzyl 2-formylphenylcarbamate with p-toluenesulfonyl amine. The structure of the newly synthesized compound was determined using 1H, 13C-NMR, IR and mass spectral data.

Curtius rearrangement reactions of 3-(4-azidocarbonyl ...

Indian Academy of Sciences (India)

Unknown

Aedes aegypti mosquito is the vector responsible for dangerous diseases like dengue hemorrhagic fever and yellow fever. An attempt has been made to study the newly synthesized carbamate compounds with respect to their insecticidal properties against fourth instar larvae of Aedes aegypti under labora- tory conditions.

Synthesis, antioxidant and antimicrobial evaluation of thiazolidinone ...

Indian Academy of Sciences (India)

The structures of these newly synthesized compounds have been estab- lished on the basis ... oxidative degradation. Although ... on natural components and with low toxicity. Heterocyclic ... tives,43,44 in this paper we report the synthesis, antiox- idant and ...... bacteria), Aspergillus oryzae, Aspergillus terrus and. Aspergillus ...

Enantioselective Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds.

Science.gov (United States)

Hari, Durga Prasad; Waser, Jerome

2017-06-28

Enantioselective catalytic methods allowing the addition of both a nucleophile and an electrophile onto diazo compounds give a fast access into important building blocks. Herein, we report the highly enantioselective oxyalkynylation of diazo compounds using ethynylbenziodoxol-(on)e reagents and a simple copper bisoxazoline catalyst. The obtained α-benzoyloxy propargylic esters are useful building blocks, which are difficult to synthesize in enantiopure form using other methods. The obtained products could be efficiently transformed into vicinal diols and α-hydroxy propargylic esters without loss in enantiopurity.

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…

The crystal chemistry of novel thorium and uranium compounds with oxo-anions from group VI of periodic table (S, Se, Te, Cr, Mo and W)

Energy Technology Data Exchange (ETDEWEB)

Xiao, Bin

2016-01-26

This dissertation focus on the synthesis, phase studies and physicochemical properties of novel thorium and uranium compounds with the Group VI (S, Se, Te, Cr, Mo, W) of the Periodic Table. All the studied compounds are listed in Table 2.2 from the page 15. I subdivided all the newly synthesized compounds into several chapters according to their structural and topological differences. First, for thorium molybdates and tungstates, almost all of these compounds are based on corner-sharing of ThO{sub x} (x = 6, 8 and 9) and MoO{sub 4} or WO{sub x} (x = 4, 5, 6) polyhedra. Interestingly, all these compounds can be seen as derived from a pure thorium molybdate compound (ThMo{sub 2}O{sub 8}) which was isolated from high-temperature solid-state synthesis method. Therefore, the polymorphs of this most basic ThMo{sub 2}O{sub 8} compound is firstly introduced (see Chapter 3.1 from page 18). The thermodynamic, electronic and vibrational properties of all investigated ThMo{sub 2}O{sub 8} polymorphs were studied using ab initio calculations. Then, two subfamilies of thorium molybdates, that is, rubidium thorium molybdate and cesium thorium molybdate and their thermal and vibrational behaviors were discussed in details in Chapter 4.1 from page 37 and Chapter 4.2 from page 50, respectively. Moreover, some new insights about the complexity of thorium tungstates were also discussed (Chapter 4.3 from page 59). Some novel thorium molybdate and chromate compounds synthesized from aqueous condition are discussed in Chapter 5 from page 71. In the Chapter 8.2.4, the stereochemistry for thorium and uranium compounds are introduced, especially thorium selinites and uranyl tellurites (see Chapter 6.1 from page 82), thorium tellurites (Chapter 6.2 from page 93), and uranyl tellurites (Chapter 6.3 from page 99 for sodium uranyl tellurium and Chapter 6.4 from page 110 for potassium uranyl tellurium, respectively). In the actinide tellurium systems, additional MoO{sub 3}/WO{sub 3} were also

Synthesis and characterization of new oxides and oxynitrides of niobium; Synthese und Charakterisierung neuer Oxide und Oxidnitride des Niobs

Energy Technology Data Exchange (ETDEWEB)

Orthmann, Steven

2017-11-02

By different synthesis routes the first oxide nitrides in the series scandium-niobium-oxygen-nitrogen could be synthesized and characterized. ScNb{sub 4}O{sub 7}N{sub 3}, which crystallizes in the rutile-type structure, exhibit a band gap of 2.62 eV after a short oxidation. Furthermore anion-deficit NbSc{sub 2}(O,N,□){sub 6} with fluorite-type structure could be synthesized. UV-Vis measurements point to a band gap of 3.36 eV after a short oxidation of the product. In the series zirconium-niobium-oxygen-nitrogen new oxides and oxide nitrides could be synthesized. By replacing zirconium with hafnium isotopical compounds with comparable composition could be obtained. The crystal structure of these new compounds is discussed respecting magnetism and the results of electron microscopy and neutron diffraction. By partially substitution of niobium with magnesium or zinc three additional oxide nitrides with the compositions Mg{sub 2}Nb{sub 4}O{sub 2}N{sub 5}, Zn{sub 2}NbO{sub 0,3}N{sub 2,8}, and ZnNb{sub 3}O{sub 0,1}N{sub 4,5}, showing a tetragonal Nb{sub 4}N{sub 5}-type structure, could be synthesized.

Readily-accessible oxidation of d0 organozirconium compounds: The electronic structure of (η5-C5H5)3ZrX compounds

International Nuclear Information System (INIS)

Strittmatter, R.J.; Bursten, B.E.; Rhodes, L.F.; Morris, D.E.; Rogers, R.D.

1990-01-01

In an effort to obtain a comparison between organotransition metal and organoactinide complexes, a series of Cp 3 ZrX compounds have been synthesized. A single crystal X-ray crystallographic study of Cp 3 ZrCl reveals that all three Cp ligands are bound in an η 5 fashion. Electrochemical investigations of this series show a first oxidation of these d 0 compounds approximately one volt less positive than the d 0 Cp 2 ZrX 2 compounds and approximately one-half volt less positive than the d 0 f 0 Cp 3 ThCl compound. These results will be presented along with a discussion of the electronic structure of this series, as determined by Xα-SW and Fenske-Hall calculations

Syntheses, structures and luminescence properties of lanthanide coordination polymers with helical character

International Nuclear Information System (INIS)

Zhou Ruisha; Cui Xiaobing; Song Jiangfeng; Xu Xiaoyu; Xu Jiqing; Wang Tiegang

2008-01-01

A series of lanthanide coordination polymers, (Him) n [Ln(ip) 2 (H 2 O)] n [Ln=La(1), Pr(2), Nd(3) and Dy(4), H 2 ip=isophthalic acid, im=imidazole] and [Y 2 (ip) 3 (H 2 O) 2 ] n .nH 2 O (5), have been synthesized and characterized by elemental analyses, infrared (IR), ultraviolet-visible-near infrared (UV-Vis-NIR) and single-crystal X-ray diffraction analyses. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 features a 2-D network making of two different kinds of quadruple-helical chains. Compounds 2 and 3 present the characteristic emissions of Pr(III) and Nd(III) ions in NIR region, respectively. Compound 4 shows sensitized luminescence of Dy(III) ions in visible region. - Graphical abstract: A series of lanthanide coodination polymers, (Him) n [Ln(ip) 2 (H 2 O)] n [Ln=La(1), Pr(2), Nd(3) and Dy(4)] and [Y 2 (ip) 3 (H 2 O) 2 ] n .nH 2 O (5), have been reported. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 displays a 2-D network making of two kinds of quadruple-helical chains. Display Omitted

Synthesis, biological activity and computational studies of novel azo-compounds

International Nuclear Information System (INIS)

Ashraf, J.; Murtaza, S.; Mughal, E.U.; Sadiq, A.

2017-01-01

In the present protocol, we report the synthesis and characterization of some novel azo-compounds starting from 4-methoxyaniline and 4-aminophenazone, which were diazotized at low temperature. 4-nitrophenol, 2-aminobenzoic acid, benzamide, 4-aminobenzoic acid, resorcinol, o-bromonitrobenzene and 2-nitroaniline were used as active aromatic coupling compounds for the second step. The synthesized compounds were investigated for their potential antibacterial activities by using disc diffusion method against Escherichia coli, Shigellasonnei, Streptococcus pyrogenes, Staphylococcus aureus and Neisseria gonorrhoeae strains. They were also subjected to antioxidant activities by using DPPH method. Results revealed that the compounds of 4-methoxyaniline and 4-aminophenazone showed good antibacterial activity against all strains, where as some azo-compounds have moderate to good antioxidant activities. Furthermore, these compounds were studied by computational analysis. (author)

Synthesis and Biological Activity of 3-Chloro-1-(4-perimidine methylcarbonylamino-4-phenyl-azetidin-2-one

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Dinesh R. Panchasara

2009-01-01

Full Text Available Perimidine-1-acetic acid hydrazide (1 undergoes facile condensation with aromatic aldehydes to afford the corresponding azomethine (i.e. Schiff base derivatives (2a-h in good yield. Cyclocondensation of compounds (2a-h with chloro acetyl chloride affords 3-chloro-1-(4-perimidine methylcarbonylamino-4-phenyl-azetidin-2-ones (3a-h. The structures of these compounds were established on the basis of analytical and spectral data. The newly synthesized compounds were evaluated for their antibacterial and antifungal activities.

Modern materials based on refractory compounds

International Nuclear Information System (INIS)

Kosolapova, T.Ya.

1979-01-01

Discussed are the existing methods for synthesizing powders of binary refractory compounds and high-productivity techniques which hold promise as regards the manufacture of highly disperse and pure powders. Plasmochemical synthesis is shown to be an effective method for obtaining practically all carbides, nitrides and borides. A description is given of three main methods for obtaining single crystals of refractory compounds (TiN, TiC, ZrC, ZrB 2 , NbC) fairly perfect in structure and composition. These processes include deposition from vapour-gas phase, melting in arc plasma and crystallization from solutions in metallic melts. The advantages have been shown of the self-propagating high-temperature synthesis of refractory compounds, ensuring the manufacture of products, close in composition to stoichiometric ones simultaneously with forming of items. Mechanical, thermal, abrasive, and resistive characteristics of the above materials are presented

Synthesis and Microbiological Activity of Some Newly Synthesized Derivatives of 2-Oxo-2H-chromen-2-one

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Majlinda Daci-Ajvazi

2011-01-01

Full Text Available By the action of 2-amino-5-methylthio-1,3,4-thiadiazole, 3-amino-5-methylisoxazole, 2-amino-6-fluorobenzothiazole, 2-amino-5-chloropyridine, respectively, on 4-chloro-2-oxo-2H-chromene-3-sulfonyl chloride, the corresponding 9-methylthio-7,7-dioxo-7,7a-dihydro-5-oxo-7λ6,10-dithia-8,11-diaza-cyclopenta[b] phenantren-6-one, 9-methyl-7,7-dioxo-7H-5,8-dioxa-7λ6-thia-7a,11-diaza-cyclopenta[b] phenantren-6-one, 9-fluoro-7,7-dioxo-7H-5-oxa-7λ6,12-dithia-7a,13-diaza-indeno[1,2-b] phenantren-6-one and 9-Chloro-7,7-dioxo-7H-5-oxa-7λ6-thia-7a,12-diaza-benzo[α]anthracen -6-one were formed and they have been isolated in satisfying yields. Based on the biological activity of chromene-2-ones and heterocyclic compounds condensed in position 3 and 4, we also studied microbiological activity of these new compounds (5-8, against Staphylococcus aureus ATCC 25923, Streptococcus pneumoniae, Aeromonas Salmonicida, Bacillus spp and some of them exhibited significant activity.

New heterocyclic compounds: Synthesis and antitrypanosomal properties.

Science.gov (United States)

Pomel, S; Dubar, F; Forge, D; Loiseau, P M; Biot, C

2015-08-15

Three new series of quinoline, quinolone, and benzimidazole derivatives were synthesized and evaluated in vitro against Trypanosoma brucei gambiense. In the quinoline series, the metallo antimalarial drug candidate (ferroquine, FQ) and its ruthenium analogue (ruthenoquine, RQ, compound 13) showed the highest in vitro activities with IC50 values around 0.1 μM. Unfortunately, both compounds failed to cure Trypanosoma brucei brucei infected mice in vivo. The other heterocyclic compounds were active in vitro with IC50 values varying from 0.8 to 34 μM. One of the most interesting results was a fluoroquinolone derivative (compound 2) that was able to offer a survival time of 8 days after a treatment at the single dose of 100 μmol/kg by intraperitoneal route. Although no clear-cut structure-activity relationships emerged, further pharmacomodulations are worth to be developed in this series. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis of new heterocyclic compounds based on pyrazolopyridine scaffold and evaluation of their neuroprotective potential in MPP+-induced neurodegeneration.

Science.gov (United States)

Jouha, Jabrane; Loubidi, Mohammed; Bouali, Jamila; Hamri, Salha; Hafid, Abderrafia; Suzenet, Franck; Guillaumet, Gérald; Dagcı, Taner; Khouili, Mostafa; Aydın, Fadime; Saso, Luciano; Armagan, Güliz

2017-03-31

Neurodegenerative disorders including Alzheimer's disease, Parkinson's disease, and Huntington's disease affect millions of people in the world. Thus several new approaches to treat brain disorders are under development. The aim of the present study is to synthesize potential neuroprotective heterocyclic compounds based on pyrazolopyridine derivatives and then to evaluate their effects in MPP + -induced neurodegeneration in human neuroblastoma cell line (SH-SY5Y cells). The effects of the compounds on cell viability were measured by MTT assay and the changes in apoptosis-related proteins including bax, Bcl-2, Bcl-xl and caspase-3 were investigated by western blot technique. Based on the cell viability results obtained by MTT assay, the percentage of neuroprotection-induced by compounds against MPP + -induced neurotoxicity in SH-SY5Y cells was between 20% and 30% at 5 μM concentrations of all synthesized compounds. Moreover, the downregulation in pro-apoptotic proteins including bax and caspase-3 were found following the novel synthesized compounds treatments and these effects were observed in a dose-dependent manner. Our results provide an evidence that these heterocyclic compounds based on pyrazolopyridine derivatives may have a role on dopaminergic neuroprotection via antiapoptotic pathways. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

Science.gov (United States)

Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

2018-06-01

Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

Extraterrestrial Organic Compounds in Meteorites

Science.gov (United States)

Botta, Oliver; Bada, Jeffrey L.; Meyer, Michael (Technical Monitor)

2003-01-01

Many organic compounds or their precursors found in meteorites originated in the interstellar or circumstellar medium and were later incorporated into planetesimals during the formation of the solar system. There they either survived intact or underwent further processing to synthesize secondary products on the meteorite parent body. The most distinct feature of CI and CM carbonaceous chondrites, two types of stony meteorites, is their high carbon content (up to 3% of weight), either in the form of carbonates or of organic compounds. The bulk of the organic carbon consists of an insoluble macromolecular material with a complex structure. Also present is a soluble organic fraction, which has been analyzed by several separation and analytical procedures. Low detection limits can be achieved by derivatization of the organic molecules with reagents that allow for analysis by gas chromatography/mass spectroscopy and high performance liquid chromatography. The CM meteorite Murchison has been found to contain more than 70 extraterrestrial amino acids and several other classes of compounds including carboxylic acids, hydroxy carboxylic acids, sulphonic and phosphonic acids, aliphatic, aromatic and polar hydrocarbons, fullerenes, heterocycles as well as carbonyl compounds, alcohols, amines and amides. The organic matter was found to be enriched in deuterium, and distinct organic compounds show isotopic enrichments of carbon and nitrogen relative to terrestrial matter.

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.

Practicing on Newly Dead

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Jewel Abraham

2015-07-01

Full Text Available A newly dead cadaver simulation is practiced on the physical remains of the dead before the onset of rigor mortis. This technique has potential benefits for providing real-life in-situ experience for novice providers in health care practices. Evolving ethical views in health care brings into question some of the ethical aspects associated with newly dead cadaver simulation in terms of justification for practice, autonomy, consent, and the need of disclosure. A clear statement of policies and procedures on newly dead cadaver simulation has yet to be implemented. Although there are benefits and disadvantages to an in-situ cadaver simulation, such practices should not be carried out in secrecy as there is no compelling evidence that suggests such training as imperative. Secrecy in these practices is a violation of honor code of nursing ethics. As health care providers, practitioners are obliged to be ethically honest and trustworthy to their patients. The author explores the ethical aspects of using newly dead cadaver simulation in training novice nursing providers to gain competency in various lifesaving skills, which otherwise cannot be practiced on a living individual. The author explores multiple views on cadaver simulation in relation to ethical theories and practices such as consent and disclosure to family.

Syntheses, structures and third-order non-linear optical properties of homometal clusters containing molybdenum

International Nuclear Information System (INIS)

Li Yong; Lu Jing; Cui Xiaobing; Xu Jiqing; Li Kechang; Sun Huaying; Li Guanghua; Pan Lingyun; Yang Qingxin

2005-01-01

Both the homometal cluster [P(ph 4 )] 2 [Mo 2 O 2 (μ-S) 2 (S 2 ) 2 ] (1) and [Mo 2 O 2 (μ-S) 2 (Et 2 dtc) 2 ] (2) (Et 2 dtc=diethyl-dithiocarbamate) were successfully synthesized by low-temperature solid-state reactions. X-ray single-crystal diffraction studies suggest that compound (1) is a dinuclear anion cluster, and compound (2) is a dinuclear neutral cluster. The two compounds were characterized by elemental analyses, IR spectra and UV-Vis spectra. The third-order non-linear optical (NLO) properties of the clusters were also investigated and all exhibited nice non-linear absorption and self-defocusing performance with moduli of the hyperpolarizabilities 5.145x10 -30 esu for (1) and 5.428x10 -30 esu for (2)

Synthesis of N-(6-Arylbenzo[d]thiazole-2-acetamide Derivatives and Their Biological Activities: An Experimental and Computational Approach.

Science.gov (United States)

Gull, Yasmeen; Rasool, Nasir; Noreen, Mnaza; Altaf, Ataf Ali; Musharraf, Syed Ghulam; Zubair, Muhammad; Nasim, Faiz-Ul-Hassan; Yaqoob, Asma; DeFeo, Vincenzo; Zia-Ul-Haq, Muhammad

2016-02-25

A new series of N-(6-arylbenzo[d]thiazol-2-yl)acetamides were synthesized by C-C coupling methodology in the presence of Pd(0) using various aryl boronic pinacol ester/acids. The newly synthesized compounds were evaluated for various biological activities like antioxidant, haemolytic, antibacterial and urease inhibition. In bioassays these compounds were found to have moderate to good activities. Among the tested biological activities screened these compounds displayed the most significant activity for urease inhibition. In urease inhibition, all compounds were found more active than the standard used. The compound N-(6-(p-tolyl)benzo[d]thiazol-2-yl)acetamide was found to be the most active. To understand this urease inhibition, molecular docking studies were performed. The in silico studies showed that these acetamide derivatives bind to the non-metallic active site of the urease enzyme. Structure-activity studies revealed that H-bonding of compounds with the enzyme is important for its inhibition.

An Efficient Sonochemical Synthesis of Novel Schiff’s Bases, Thiazolidine, and Pyrazolidine Incorporating 1,8-Naphthyridine Moiety and Their Cytotoxic Activity against HePG2 Cell Lines

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N. S. Ahmed

2014-01-01

Full Text Available Novel Schiff’s bases 4a–e, 5a, 5b, and 6, thiazolidine 7a–d, and pyrazolidine 8 have been synthesized using the versatile synthon 4-hydroxy-2,7-dimethyl-1,8-naphthyridine 1. Reactions carried out under ultrasound irradiation showed higher rates and yields than those done under silent conditions. The newly synthesized compounds were evaluated for HepG2 cell growth inhibition. The results obtained revealed that the tested compounds possess inhibitory effect on the growth of HepG2 liver cancer cells. The results were compared to doxorubicin as a reference drug (IC50: 0.04. Compounds 4a and 7b showed the highest inhibition activity against the HepG2 cell line (IC50: 0.047 and 0.041 µM, resp. among all the tested compounds.

Synthesis of selected 5-thio-substituted tetrazole derivatives and evaluation of their antibacterial and antifungal activities

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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.

Methods for synthesizing metal oxide nanowires

Science.gov (United States)

Sunkara, Mahendra Kumar; Kumar, Vivekanand; Kim, Jeong H.; Clark, Ezra Lee

2016-08-09

A method of synthesizing a metal oxide nanowire includes the steps of: combining an amount of a transition metal or a transition metal oxide with an amount of an alkali metal compound to produce a mixture; activating a plasma discharge reactor to create a plasma discharge; exposing the mixture to the plasma discharge for a first predetermined time period such that transition metal oxide nanowires are formed; contacting the transition metal oxide nanowires with an acid solution such that an alkali metal ion is exchanged for a hydrogen ion on each of the transition metal oxide nanowires; and exposing the transition metal oxide nanowires to the plasma discharge for a second predetermined time period to thermally anneal the transition metal oxide nanowires. Transition metal oxide nanowires produced using the synthesis methods described herein are also provided.

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.

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.

Optical properties of zinc oxide-based ternary compounds synthesized by electrodeposition

Energy Technology Data Exchange (ETDEWEB)

Cembrero, J. [Departament d' Enginyeria Mecanica i Materials, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia (Spain); Mollar, M.; Tortosa, M. [Departament de Fisica Aplicada, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia (Spain); Mari, B.

2008-07-01

Structure, morphology and optical properties of ZnO thin films grown by electrodeposition under different conditions changing both solvent (water or dimethylsulfoxide) and substrate (polycrystalline FTO or monocrystalline GaN) are reported. The results point out the advantage of using dimethylsulfoxide when uniform, oriented and highly transparent films are required. On the other hand electrodeposition in aqueous bath produces perfectly defined hexagonal ZnO columns which can be fully oriented by chosing a suitable substrate. Photoluminescence has only been observed for ZnO films grown in aqueous bath. Ternary compounds as ZnMO (M=Cd,Co,Mn) with a controlled ratio between both cations, and morphology and structure like binary ZnO can be easily obtained from dimethylsulfoxide. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Improved ferroelectric and photoluminescence properties in Pr3+ substituted Na0.5Bi0.5TiO3 synthesized using hydrothermal route

Science.gov (United States)

Goutham, Cilaveni; Kandula, Kumara Raja; Raavi, Sai Santhosh Kumar; Asthana, Saket

2018-04-01

Nanocrystalline Pr3+ substituted NBT was synthesized using hydrothermal technique. Pr3+ modifies the ferroelectric NBT optically active and enhances the electrical properties with small structural changes. Aiming to the development of the bottom up optoelectronic devices this optimized nanoscale Na0.5Bi0.5-xPrxTiO3(x = 0.005) compound is synthesized hydrothermally. X-ray diffraction pattern shows that the system is stabilized in the Rhombohedral (space groupR3c) phase indicating the local strain inhomogeneity. PE loop shows that there is a decrement in the Ec value compared with compounds synthesized using conventional methods. The strong red emission assigned to prominent transition of the Pr3+ ions at 610nm was observed along with weak blue-green emission, indicating the potential use of the system. Energy transfer from host system to Pr3+ ions is responsible for red emission while blue green emission is due to quenching of 3P0 induced by intervalence charge transfer state.

Synthesis and in vitro biological evaluation of new pyrazole chalcones and heterocyclic diamides as potential anticancer agents

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Sankappa Rai U.

2015-05-01

Full Text Available Synthesis and characterization of new heterocyclic pyrazole chalcones (4a–e and diamide (6a–e derivatives are described. Pyrazole chalcones were synthesized by the reaction of pyrazole aldehydes and suitable aromatic ketones. Diamides were synthesized by the reaction of phthalic acid and amines. Newly synthesized compounds were characterized by spectral studies and their biological activity was assessed in vitro using MCF-7 (human breast adenocarcinoma and HeLa (human cervical tumor cells cell lines. Few of the synthesized molecules inhibited the growth of the human breast cancer cell lines and human cervical tumor cell lines at low micromolar to nanomolar concentrations.

Synthesis and characterization of volatile technetium compound

International Nuclear Information System (INIS)

Childs, Bradley C.; Poineau, Frederic; Czerwinski, Ken R.

2013-01-01

Technetium-99 is an important fission (T 1/2 = 2.13.105 y) product of the nuclear industry. Technetium in its highest oxidation state (VII) is highly mobile and can represent a threat to the environment. There are over 55 million gallons of high level mixed waste located at the Hanford site. Waste tanks at the Hanford site contain Tc that could potentially leak, and in the context of management of technetium, a glass waste form was proposed to counteract the issue. In the process of synthesizing melt glass between the temperatures of 600°C and 1100°C, volatile technetium compounds were observed in the reaction tube. These compounds displayed characteristic colors based upon the reaction environments of either breathing air or nitrogen gas. A breathing air atmosphere produces a red compound that adheres to the walls of the reaction tube. An atmosphere of nitrogen gas produces a white compound that was observed on the walls of the reaction tube. (author)

Two new POMOF compounds constructed from polyoxoanions, metals and organic ligands

Science.gov (United States)

Xiao, Li-Na; Zhang, Hao; Zhang, Ting-Ting; Zhang, Xiao; Cui, Xiao-Bing

2018-03-01

Two new POMOF compounds, namely [PMo12V2O42][Cu3(4,4'-bpy)3]·(DABCO) (1) and [PMo10V4O42][Cu2(4,4'-bpy)2][Cu(phen)2]2 (2) (DABCO = triethylenediamine, bpy = bipyridine, phen = 1,10-phenanthroline)), have been synthesized and characterized by IR, UV-Vis, XRD, elemental analysis and X-ray diffraction analysis. Crystal structure analyses reveal that compounds 1 and 2 exhibit novel 2-D layered framework structures constructed from bi-capped Keggin molybdenum-vanadium polyoxoanions, metals and organic ligands, respectively. The main difference of the two compounds is that compound 2 contains both Cu2+ and Cu+ complexes. In addition, we also investigate the catalytic properties of the two compounds, both compound 1 and 2 are excellent catalysts for the epoxidation of styrene.

Shaping distinct magnetic interactions in molecular compounds

International Nuclear Information System (INIS)

Filoti, George; Bartolome, Juan; Palade, Petru; Prisecaru, Ion; Valsangiacom, Cristina; Kuncser, Victor; Mindru, Ioana; Patron, Luminita

2011-01-01

Oxalates containing various 3d transitional elements and positive NH 4 or negative OH groups were newly synthesized. Each above-mentioned component has directly influenced the structure, the electronic or interaction properties, while some unexpected behaviors were revealed by various magnetic and Moessbauer measurements. The main magnetic parameters, the long-range anti-ferromagnetic couplings observed at very low temperature and, particularly the uncompensated moment are discussed in detail. The induced lower spin states for bivalent ions and especially the anti-parallel arrangement of the spins belonging to trivalent and bivalent iron inside the molecule are also emphasized. - Research highlights: → Nine new oxalates, with 3d elements, showing interesting characteristics were synthesized. →The oxalate units and the positive or negative groups have induced various magnetic properties. → The Moessbauer data revealed two different positions for each valence state of iron in molecule. → There is a competition of anti-ferromagnetic couplings inside the magnetic units and between them. → An overall ferri-magnetic long range ordering was demonstrated unambiguously.

Synthesis, pharmacological activity evaluation and molecular modeling of new polynuclear heterocyclic compounds containing benzimidazole derivatives.

Science.gov (United States)

Bassyouni, Fatma A; Saleh, Tamer S; ElHefnawi, Mahmoud M; Abd El-Moez, Sherein I; El-Senousy, Waled M; Abdel-Rehim, Mohamed E

2012-12-01

Novel heterocyclic compounds containing benzimidazole derivatives were synthesized from 2-(1H-benzimidazol-2-yl) acetonitrile (1) and arylhydrazononitrile derivative 2 was obtained via coupling of 1 with 4-methyl phenyldiazonium salt, which was then reacted with hydroxylamine hydrochloride to give amidooxime derivative 3. This product was cyclized into the corresponding oxadiazole derivative 4 upon reflux in acetic anhydride. Compound 4 was refluxed in DMF in the presence of triethylamine to give the corresponding 5-(1H-benzimidazol-2-yl)-2-p-tolyl-2H-1,2,3-triazol-4-amine 6. Treatment of compound 6 with ethyl chloroformate afforded 2,6-dihydro-2-(4-methylphenyl)-1,2,3-triazolo[4",5"-4',5']pyrimido[1,6-a]benzimidazole-5(4H)-one (8). 1,2-bis(2-cyanomethyl-1H-benzimidazol-1-yl)ethane-1,2-dione (10) was synthesized via the condensation reaction of 2-(1H-benzimidazol-2-yl) acetonitrile (1) and diethyloxalate. The reactivity of compound 10 towards some diamine reagents was studied. The in vitro antimicrobial activity of the synthesized compounds was investigated against several pathogenic bacterial strains such as Escherichia coli O157, Salmonella typhimurium, E. coli O119, S. paratyphi, Pseudomonas aeruginosa, Staphylococcus aureus, Listeria monocytogenes and Bacillus cereus. The results of MIC revealed that compounds 12a-c showed the most effective antimicrobial activity against tested strains. On the other hand, compounds 12a, b exhibited high activity against rotavirus Wa strain while compounds 12b, c exhibited high activity against adenovirus type 7. In silico target prediction, docking and validation of the compounds 12a-c were performed. The dialkylglycine decarboxylase bacterial enzyme was predicted as a potential bacterial target receptor using pharmacophore-based correspondence with previous leads; giving the highest normalized scores and a high correlation docking score with mean inhibition concentrations. A novel binding mechanism was predicted after docking

Syntheses, spectroscopic and magnetic properties of polystyrene-anchored coordination compounds of thiazolidinone

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D. Kumar

2014-01-01

Full Text Available The reaction between polystyrene 3-formylsalicylate and furoic acid hydrazide in DMF in the presence of ethyl acetate results in the formation of polystyrene N-(2-carbamoylfuranyl-3'-carboxy-2'-hydroxybenzylideneimine (I. A benzene suspension of I reacts with mercaptoacetic acid and forms the polystyrene N-(2-carbamoylfuranyl-C-(3'-carboxy-2'-hydroxyphenylthiazolidin-4-one, PSCH2–LH2 (II. A DMF suspension of II reacts with Mn(II, Ni(II, Cd(II, Fe(III and UO2(VI ions and forms the polystyrene-anchored coordination compounds of the types, [PSCH2–LMn(DMF3], [PSCH2–LNi(DMF3], [PSCH2–LCd(DMF], [PSCH2–LH2FeCl3] and [PSCH2–LHUO2(NO3(DMF]. The polystyrene-anchored coordination compounds have been characterized on the basis of elemental analyses, spectral (IR, reflectance studies and magnetic susceptibility measurements. II acts as a neutral tridentate ONO donor ligand in [PSCH2–LH2FeCl3], a monobasic tridentate ONO donor ligand in [PSCH2–LHUO2(NO3(DMF], a dibasic tridentate ONO donor ligand in [PSCH2–LMn(DMF3], [PSCH2–LNi(DMF3] and [PSCH2–LCd(DMF]. A tetrahedral structure for Cd(II and an octahedral structure for Mn(II, Ni(II, Fe(III and a square-antiprism geometry for UO2(VI complex are suggested. DOI: http://dx.doi.org/10.4314/bcse.v28i1.4

Synthesis of Symmetrical and Asymmetrical Azines Encompassing Naphtho[2,1-b]furan by a Novel Approach

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K. Veena

2011-01-01

Full Text Available The starting material 3-nitro-2-acetylnaphtho[2,1-b]furan (2 was obtained by nitration of 2-acetylnaphtho[2,1-b] furan (1, under mild condition. The compound 1 was synthesized by the reaction of 2-hydroxy-1-naphthaldehyde with chloroacetone, where in both condensation and cyclization took place in single step. The reaction of 3-nitro-2-acetylnaphtho[2,1-b]furan (2 with hydrazine hydrate produced corresponding hydrazone (3 in excellent yield, which on treatment with various aromatic aldehydes under different reaction conditions resulted in the formation of symmetrical azines (4a-e and unsymmetrical azines (5a-e. All the newly synthesized compounds have been characterized by analytical and spectral studies and were screened for antibacterial antibacterial activity against Bacillus subtilus and Alcaligenes fecalies and antifungal activity against Aspergillus nidulans, Aspergillus parasiticus and Aspergillus terrus. The Second Harmonic Generation (SHG efficiency of some of the synthesized compounds was measured by powder technique using Nd:YAG laser.

Design and synthesis of positional isomers of 5 and 6-bromo-1-[(phenyl)sulfonyl]-2-[(4-nitrophenoxy)methyl]-1H-benzimidazoles as possible antimicrobial and antitubercular agents.

Science.gov (United States)

Ranjith, P Karuvalam; Rajeesh, P; Haridas, Karickal R; Susanta, Nayak K; Row, Tayur N Guru; Rishikesan, R; Kumari, N Suchetha

2013-09-15

In this Letter, we report the structure-activity relationship (SAR) studies on series of positional isomers of 5(6)-bromo-1-[(phenyl)sulfonyl]-2-[(4-nitrophenoxy)methyl]-1H-benzimidazoles derivatives 7(a-j) and 8(a-j) synthesized in good yields and characterized by (1)H NMR, (13)C NMR and mass spectral analyses. The crystal structure of 7a was evidenced by X-ray diffraction study. The newly synthesized compounds were evaluated for their in vitro antibacterial activity against Staphylococcus aureus, (Gram-positive), Escherichia coli and Klebsiella pneumoniae (Gram-negative), antifungal activity against Candida albicans, Aspergillus flavus and Rhizopus sp. and antitubercular activity against Mycobacterium tuberculosis H37Rv, Mycobacterium smegmatis, Mycobacterium fortuitum and MDR-TB strains. The synthesized compounds displayed interesting antimicrobial activity. The compounds 7b, 7e and 7h displayed significant activity against Mycobacterium tuberculosis H37Rv strain. Copyright © 2013 Elsevier Ltd. All rights reserved.

Three new Ag(I) coordination architectures based on mixed ligands: Syntheses, structures and photoluminescent properties

Energy Technology Data Exchange (ETDEWEB)

Li, Yamin, E-mail: liyamin@henu.edu.cn [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Xiao, Changyu; Li, Shu; Chen, Qi; Li, Beibei; Liao, Qian; Niu, Jingyang [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

2013-04-15

Three new silver (I) coordination complexes, [Ag{sub 2}(1,2-bdc)(phdat)]{sub n} (1), [Ag{sub 2}(NO{sub 2}-bdc)(phdat)]{sub n} (2), [Ag{sub 4}(nta){sub 3}(phdat)NO{sub 3}]{sub n} (3) (1,2-bdc=phthalic acid dianion, NO{sub 2}-bdc=5-nitro-1,3-benzenedicarboxylic acid dianion, nta=nicotinic acid anion, phdat=2,4-diamine-6-phenyl-1,3,5-triazine) have been hydrothermally synthesized by the reactions of silver nitrate and phdat with the homologous ligands 1,2-H{sub 2}bdc, NO{sub 2}-H{sub 2}bdc, and Hnta, respectively, and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses thermogravimetric analyses (TGA). The compound 1 exhibits a chiral 3D network with cbs/CrB self-dual topological net, which contains two kinds of single helical chains. For compound 2, the 3D network is comprised of two kinds of similar 2D sheets with the topological symbol of sql-type packed in AABBAA mode by Ag–N/O weakly contacts. And compound 3 has 2D double layer architecture, consisting of the 2D plane with hcb-type topological symbol connected by Ag–O weakly coordinations. The photoluminescent properties associated with the crystal structures of three compounds have also been measured. - Graphical abstract: Three new silver(I) coordination complexes 1–3 have been synthesized and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses, thermogravimetric analyses (TGA) and photoluminescent spectra. Highlights: ► The compound 1 exhibits a novel chiral 3D network with two kinds of single helical chains. ► 3D or 2D new Ag coordination complexes. ► The photoluminescent properties have been measured.

Newly graduated nurses' use of knowledge sources

DEFF Research Database (Denmark)

Voldbjerg, Siri Lygum; Grønkjaer, Mette; Sørensen, Erik Elgaard

2016-01-01

AIM: To advance evidence on newly graduated nurses' use of knowledge sources. BACKGROUND: Clinical decisions need to be evidence-based and understanding the knowledge sources that newly graduated nurses use will inform both education and practice. Qualitative studies on newly graduated nurses' use...... underscoring progression in knowledge use and perception of competence and confidence among newly graduated nurses. CONCLUSION: The transition phase, feeling of confidence and ability to use critical thinking and reflection, has a great impact on knowledge sources incorporated in clinical decisions....... The synthesis accentuates that for use of newly graduated nurses' qualifications and skills in evidence-based practice, clinical practice needs to provide a supportive environment which nurtures critical thinking and questions and articulates use of multiple knowledge sources....

Prediction of compounds activity in nuclear receptor signaling and stress pathway assays using machine learning algorithms and low dimensional molecular descriptors

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Filip eStefaniak

2015-12-01

Full Text Available Toxicity evaluation of newly synthesized or used compounds is one of the main challenges during product development in many areas of industry. For example, toxicity is the second reason - after lack of efficacy - for failure in preclinical and clinical studies of drug candidates. To avoid attrition at the late stage of the drug development process, the toxicity analyses are employed at the early stages of a discovery pipeline, along with activity and selectivity enhancing. Although many assays for screening in vitro toxicity are available, their massive application is not always time and cost effective. Thus the need for fast and reliable in silico tools, which can be used not only for toxicity prediction of existing compounds, but also for prioritization of compounds planned for synthesis or acquisition. Here I present the benchmark results of the combination of various attribute selection methods and machine learning algorithms and their application to the data sets of the Tox21 Data Challenge. The best performing method: Best First for attribute selection with the Rotation Forest/ADTree classifier offers good accuracy for most tested cases. For 11 out of 12 targets, the AUROC value for the final evaluation set was ≥0.72, while for three targets the AUROC value was ≥ 0.80, with the average AUROC being 0.784±0.069. The use of two-dimensional descriptors sets enables fast screening and compound prioritization even for a very large database. Open source tools used in this project make the presented approach widely available and encourage the community to further improve the presented scheme.

Ascomycin macrolactam derivative SDZ ASM 981 inhibits the release of granule-associated mediators and of newly synthesized cytokines in RBL 2H3 mast cells in an immunophilin-dependent manner.

Science.gov (United States)

Hultsch, T; Müller, K D; Meingassner, J G; Grassberger, M; Schopf, R E; Knop, J

1998-09-01

Mast cells play an important role in the pathological development of many inflammatory and allergic diseases and inhibition of mast cell activation is a potential target for therapeutic intervention. Therefore, the effect of the novel ascomycin macrolactam derivative SDZ ASM 981 on Fc epsilonRI-mediated activation of rat basophilic leukemia (RBL) cells, as a model for mast cell activation, was investigated. First, the ability to inhibit different mast cell immunophilins in vitro was tested. Using recombinant macrophilin-12 (FKBP-12), inhibition of rotamase activity with an IC50 of approximately 6 nM was observed. The rotamase activity of cyclophilin A (18 kDa) was not affected. Secondly, the effect of SDZ ASM 981 on Fc epsilonRI-mediated mast cell activation was investigated in the RBL cell model. SDZ ASM 981 inhibited exocytosis of preformed mediators (e.g. serotonin) with an IC50 of approximately 30 nM. Transcription and release of newly synthesized mediators (e.g. TNF-alpha) was inhibited with an IC50 of approximately 100 nM. The inhibitory effect of SDZ ASM 981 was antagonized by rapamycin. We conclude that SDZ ASM 981 is a potent inhibitor of Fc epsilonRI-mediated activation of mast cells in vitro. The mechanism of action involves formation of (calcineurin) inhibitory complexes with macrophilins. We suggest that this inhibitory action on mast cells might contribute to the antiinflammatory effect of SDZ ASM 981 observed in vivo (e.g. in aptopic dermatitis and psoriasis).

New 1,2,4-triazine bearing compounds: molecular modeling, synthesis and biotesting

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Negrutska V. V.

2009-12-01

Full Text Available Aim. To enlarge a spectrum of biologically active compounds in the series of the 1,2,4-triazino[5,6-b] [1,4]benzothiazine (1,2,4-TBT derivatives and reveal among them efficient inhibitors of RNA synthesis Methods. The methods of structure optimization of the 3-oxo-1,2,4-TBT by fragment-oriented substitution, the molecular doking of new structures in a virtual target, the rational chemical synthesis of the theoretically predicted compounds and their testing in the system of transcription in vitro. Results. The series of 1,2,4-TBT derivatives with substituents in the benzene and triazine cycles of a base molecule were synthesized. The testing of synthesized compounds in the in vitro transcription system directed by T7 RNA polymerase revealed the structure- and concentration-dependent inhibition of the RNA synthesis by some of these compounds. The experimental and virtual screening data for all investigated compounds have a good correlation. It was found that most effective derivative is the 3-oxo-8-butyl-1,2,4-TBT which completely inhibited transcription at the concentration of 6 mg/ml. Conclusions. The biotesting results allow us to assume that the inhibition of RNA synthesis is caused by binding of the 3-oxo- 8-butyl-1,2,4-TBT to both free RNA polymerase molecules and those including in a transcriptional complex with DNA

Synthesis and anti-lung cancer activity of a novel arsenomolybdate compound

Science.gov (United States)

Zhu, Tian-Tian; Wang, Juan; Chen, Song-Hu

2017-12-01

The new compound based on Wells-Dawson-type arsenomolybdate: [{Cu10(pz)11Cl4}{As2IIIAs2VMo6VMo12VIO62}]·H2O (1) has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, X-ray powder diffraction (XRPD), XPS spectroscopy and thermogravimetric analysis (TG). Compound 1 is consisted of two As caps Wells-dawson-type arsenomolybdate and {Cu10(py)11} complexes by chloride bridge. In addition, the antitumor effects of the title compound 1 were studied on three human lung cancer cells (A549, SK-LU-1 and SW1573). The results showed that compared with the positive reference drug carboplatin, compound 1 displayed efficient antitumor activity.

Novel one-pot process for the synthesis of ethyl 2-imino-4-methyl-2,3-dihydrothiazole-5-carboxylates

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Beyzaei Hamid

2015-01-01

Full Text Available A facile one-pot two-step process for the synthesis of ethyl 2-imino-4-methyl-2,3-dihydrothiazole-5-carboxylates via the cyclocondensation of ethyl 2-thiocyanatoacetoacetate with a variety of hydrazine and hydrazide derivatives has been developed. Ethyl 2-thiocyanatoacetoacetate itself has been synthesized as intermediate from the reaction of ethyl 2-chloroacetoacetate with potassium thiocyanate (KSCN. The molecular structures of these newly synthesized compounds were elucidated on the basis of elemental analysis and spectral data.

Biosynthesis of phenolic compounds in hypocotyl callus cultures of fenugreek (Trigonella foenum graecum L. )

Energy Technology Data Exchange (ETDEWEB)

Dhandapani, M; Antony, A; Subba Rao, P V [Indian Inst. of Science, Bangalore. Dept. of Biochemistry

1977-03-01

Hypocotyl callus cultures of fenugreek were studied to determine their potential for synthesizing phenolics, particularly those which are intermediates in lignin and flavonoid biosynthesis. The cultures were found to be capable of synthesizing an array of phenolic compounds characteristic of higher plants. Both phenylalanine-U-/sup 14/C and cinnamic acid-U-/sup 14/C were found to be efficient precursors of these phenolics.

Functionalized 3-(benzofuran-2-yl-5-(4-methoxyphenyl-4,5-dihydro-1H-pyrazole scaffolds: A new class of antimicrobials and antioxidants

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Javarappa Rangaswamy

2017-05-01

Full Text Available A new class of functionalized 3-(benzofuran-2-yl-5-(4-methoxyphenyl-4,5-dihydro-1H-pyrazole scaffolds (4a–q was synthesized by a four step reaction in good yields. Initially, o-alkyl derivative of salicyaldehyde (1 readily furnished corresponding 2-acetyl benzofuran (2 on treatment with potassium tert-butoxide (t-BuOK in the presence of molecular sieves. Further, Claisen–Schmidt condensation reaction with 4-methoxy benzaldehyde and hydrazine hydrate followed by coupling of benzoyl chlorides afforded target compounds (4a–q. Representative of the synthesized compounds was characterized by IR, 1H NMR, 13C NMR, mass, elemental analysis and evaluated for antimicrobial and antioxidant activities. The results gathered are allowed to conclude that, all newly synthesized analogues exhibit a certain degree of antimicrobial and antioxidant activities. Among the analogues, compounds (4h and (4j showed an excellent antimicrobial activity in the well plate method. Meanwhile, compounds (4e–f, (4l and (4p showed good antioxidant activity, whereas compound (4g and (4q displayed dominant antioxidant efficacy compared to standard butylated hydroxy anisole (BHA.

Synthesis and in-silico molecular docking simulation of 3-chloro-4-substituted-1-(2-(1H-benzimidazol-2-ylphenyl-azetidin-2-ones as novel analgesic anti-inflammatory agent

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Santosh S. Chhajed

2016-11-01

Full Text Available In the present investigation synthesis of some novel 1-(2-(1H-benzimidazol-2-ylphenyl-3-chloro-4-(Un/substitutedphenylazetidin-2-one (3a–3h is reported. All these compounds were characterized by IR, Mass, 1H NMR and elemental analysis. The newly synthesized compounds were screened for analgesic and anti-inflammatory activities on acetic acid induced writhing in mice and carrageenan induced paw edema in rats. Compound 3 g was found to have potent analgesic (46% at 20 mg/kg b.w and anti-inflammatory (66.5% at 20 mg/kg b.w activities as compared to standard drug nimesulide (20 mg/kg b.w. To check binding modes and binding affinity of synthesized compounds were docked into the active sites of enzyme COX-II. Compounds 3a, 3e and 3 h were found to have good affinity for COX-II. A good correlation is found between in silico docking analysis and in biological screening.

Recycling endosomes in human cytotoxic T lymphocytes constitute an auxiliary intracellular trafficking pathway for newly synthesized perforin

Science.gov (United States)

Lesteberg, Kelsey E.; Orange, Jordan S.; Makedonas, George

2018-01-01

Background Although cytotoxic T lymphocytes (CTLs) store perforin within cytoplasmic secretory granules for immediate use, perforin is synthesized anew within hours of TCR stimulation. Previously, we observed new perforin protein at an immunologic synapse independent of secretory lysosomes; herein we aimed to determine how new perforin transits to the synapse if not via lytic granules. Results We analyzed antigen-specific human CTLs via imaging flow cytometry and high-resolution confocal microscopy, with attention to intracellular trafficking components and new perforin. The recycling endosome compartments identified by rab8, rab11a, rab4, and rab37 co-localized with new perforin, as well as the SNAREs vti1b and VAMP4. After ablating the function of the recycling endosome pathway, we observed a relative accumulation of new perforin in rab8 vesicles. Conclusions The recycling endosome pathway may serve as an auxiliary intracellular route for the delivery of new perforin to an immunologic synapse in order to perpetuate a cytotoxic response. PMID:28822075

The rational design of a novel potent analogue of the 5’-AMP-activated protein kinase inhibitor compound C with improved selectivity and cellular activity

Science.gov (United States)

Machrouhi, Fouzia; Ouhamou, Nouara; Laderoute, Keith; Calaoagan, Joy; Bukhtiyarova, Marina; Ehrlich, Paula J.; Klon, Anthony E.

2010-01-01

We have designed and synthesized analogues of compound C, a non-specific inhibitor of 5’-AMP-activated protein kinase (AMPK), using a computational fragment-based drug design (FBDD) approach. Synthesizing only twenty-seven analogues yielded a compound that was equipotent to compound C in the inhibition of the human AMPK (hAMPK) α2 subunit in the heterotrimeric complex in vitro, exhibited significantly improved selectivity against a subset of relevant kinases, and demonstrated enhanced cellular inhibition of AMPK. PMID:20932747

Mutagenicity of 1-Ethyl-2,4,5-triphenyl-1H-imidazole and Six Derivatives in Salmonella typhimurium

OpenAIRE

KORKMAZ, Ferhan; Korkmaz, Ferhan; MERCANGOZ, Ayse

2010-01-01

 Newly synthesized 1-Ethyl-2,4,5-triphenyl-1H-imidazole and its six derivatives were tested by Ames assay. In order to reveal the mutagenic activities of the compounds, two different mutant strains of Salmonella typhimurium (TA98 and TA100) were used in an Ames assay with/without S9 microsomal fraction from rat liver. It was found that the compounds have no mutagenic activities.          &nb...

Acid catalyzed solvent free synthesis of new 1-acyl-4-benzhydryl substituted pyrazoles

International Nuclear Information System (INIS)

Sher, M.; Kausar, T.; Riaz, N.; Sharif, A.

2016-01-01

A convenient, cost effective and environmentally benign methodology has been developed, which delivered fourteen new 1-acyl-4-benzhyrdyl substituted pyrazole derivatives under solvent free conditions. Target compounds were synthesized in good to excellent yields simply by grinding reactants in a pestle and mortar with catalytic amount of conc. H/sub 2/SO/sub 4/. All the newly formed compounds were fully characterized with the help of detailed spectroscopic techniques including FTIR, NMR and GC-MS. (author)

Synthesis, characterization and antibacterial activity of new salicylhydrazide containing azopyrazoles

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Bhupendra P. Patel

2011-03-01

Full Text Available Various ethyl-2-substituted phenyl hydrazono-3-oxobutyrate (2a-h condensation with 2-hydroxy benzoic acid hydrazide (3 to afford 1-(2-hydroxybenzoyl-3-methyl-4-(2- substituted phenyl hydrazono-1H-pyrazol-5(4H-one (4a-h. The structures of all these compounds (4a-h were recognized on basis of analytical and spectral data. The newly synthesized compounds were evaluated for their antimicrobial activity against various bacteria and fungi.

Synthesis and Antimicrobial Evaluation of Some Novel 2-(4-Chlorophenylimino) thiazolidin-4-one Derivatives

Energy Technology Data Exchange (ETDEWEB)

B' Bhatt, H.; Sharma, S. [Hemchandracharya North Gujarat Univ., Gujarat (India)

2012-06-15

A series of 2-(4-chlorophenylimino)-5-((3-(p-substituted phenyl)-1-phenyl-1H-pyrazol-4-yl) methylene) thiazolidin-4-one (3a-h) compounds were prepared from the 2-(4-chlorophenylimino) thiazolidin-4-one (1) and 1-phenyl-3-(psubstituted phenyl)-1H-pyrazole-4-carbaldehyde (2a-h). All compounds were characterized by elemental (C, H, N) analysis and spectral (FT-IR, {sup 1}H NMR and GC-MS) analysis. These newly synthesized compounds were screened for their antibacterial and antifungal activities. Antimicrobial activity was observed and evaluated against the bacterial strains like Eschericha coli (MTCC 443), Pseudomonas aeruginosa (MTCC 1688), Staphylococcus aureus (MTCC 96), Streptococcus pyogenes (MTCC 442) and against the fungal strains like Candida albicans (MTCC 227), Aspergillus niger (MTCC 282) and Aspergillus clavatus (MTCC 1323). All the synthesized compounds were found to possess moderate to excellent antimicrobial activity against above selected strains.

Benzimidazoles as new scaffold of sirtuin inhibitors: green synthesis, in vitro studies, molecular docking analysis and evaluation of their anti-cancer properties.

Science.gov (United States)

Yoon, Yeong Keng; Ali, Mohamed Ashraf; Wei, Ang Chee; Shirazi, Amir Nasrolahi; Parang, Keykavous; Choon, Tan Soo

2014-08-18

Two series of novel benzimidazole derivatives were designed, synthesized and evaluated for their SIRT1 and SIRT2 inhibitory activity. Among the newly synthesized compounds, compound 4j displayed the best inhibitory activity for SIRT1 (IC50 = 54.21 μM) as well as for SIRT2 (IC50 = 26.85 μM). Cell proliferation assay showed that compound 4j possessed good antitumor activity against three different types of cancer cells derived from colon (HCT-116), breast (MDA-MB-468) and blood-leukemia (CCRF-CEM) with cell viability of 40.0%, 53.2% and 27.2% respectively at 50 μM. Docking analysis of representative compound 4j into SIRT2 indicated that the interaction with receptor was primarily due to hydrogen bonding and π-π stacking interactions. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

Novel strategies for microdose studies using non-radiolabeled compounds.

Science.gov (United States)

Maeda, Kazuya; Sugiyama, Yuichi

2011-06-19

Microdose studies using non-radiolabeled compounds enable assessment of the clinical pharmacokinetics of drug candidates in humans without the need to synthesize radiolabeled compounds. We have demonstrated that the quantification limits of many drugs measured by LC-MS/MS are low enough to allow estimation of their pharmacokinetic parameters following administration of a microdose. Our previous microdose studies with LC-MS/MS demonstrated the linear pharmacokinetics of fexofenadine between microdoses and therapeutic doses. We also obtained time profiles of plasma concentrations of nicardipine and its multiple metabolites following administration of a microdose. A significant advantage of using non-radiolabeled compounds is the ability to perform cassette microdose studies. By administering multiple drug candidates to the same subject, we can select compounds with appropriate pharmacokinetic properties simultaneously. We can also clarify major factors dominating the pharmacokinetics of drug candidates by cocktail microdosing of the test compounds and probe substrates with or without specific inhibitors for enzymes/transporters. Copyright © 2011 Elsevier B.V. All rights reserved.

Alternative CHCA-based matrices for the analysis of low molecular weight compounds by UV-MALDI-tandem mass spectrometry.

Science.gov (United States)

Porta, Tiffany; Grivet, Chantal; Knochenmuss, Richard; Varesio, Emmanuel; Hopfgartner, Gérard

2011-02-01

Analysis of low molecular weight compounds (LMWC) in complex matrices by vacuum matrix-assisted laser desorption/ionization (MALDI) often suffers from matrix interferences, which can severely degrade limits of quantitation. It is, therefore, useful to have available a range of suitable matrices, which exhibit complementary regions of interference. Two newly synthesized α-cyanocinnamic acid derivatives are reported here; (E)-2-cyano-3-(naphthalen-2-yl)acrylic acid (NpCCA) and (2E)-3-(anthracen-9-yl)-2-cyanoprop-2enoic acid (AnCCA). Along with the commonly used α-cyano-4-hydroxycinnamic acid (CHCA), and the recently developed 4-chloro-α-cyanocinnamic acid (Cl-CCA) matrices, these constitute a chemically similar series of matrices covering a range of molecular weights, and with correspondingly differing ranges of spectral interference. Their performance was compared by measuring the signal-to-noise ratios (S/N) of 47 analytes, mostly pharmaceuticals, with the different matrices using the selected reaction monitoring (SRM) mode on a triple quadrupole instrument equipped with a vacuum MALDI source. AnCCA, NpCCA and Cl-CCA were found to offer better signal-to-noise ratios in SRM mode than CHCA, but Cl-CCA yielded the best results for 60% of the compounds tested. To better understand the relative performance of this matrix series, the proton affinities (PAs) were measured using the kinetic method. Their relative values were: AnCCA > CHCA > NpCCA > Cl-CCA. This ordering is consistent with the performance data. The synthesis of the new matrices is straightforward and they provide (1) tunability of matrix background interfering ions and (2) enhanced analyte response for certain classes of compounds. Copyright © 2011 John Wiley & Sons, Ltd.

Coordination compounds of cobalt and cadmium with isobutyric acid amide

International Nuclear Information System (INIS)

Tsivadze, A.Yu.; Ivanova, I.S.; Solovkina, O.A.

1983-01-01

Coordination compounds of cobalt and cadmium with isobutyric acid amide (IBAA) of Co(NCS) 2 x(IBAA) 2 (H 2 O) 2 , CoCl 2 (IBAA) 4 , CoI 2 (IBAA) 8 (H 2 O) 2 , CdI 2 (IBAA) 2 composition have been synthesized and characterized. Their infrared absorption spectra (200-400 cm -1 ), electron reflection spectra (200-750 nm) were studied. It is shown that in all compounds there are IBAA molecUles coordinated through an oxygen atom. Thiocyanogroups are coordinated throUgh nitrogen atoms

New Gold(I) Organometallic Compounds with Biological Activity in Cancer Cells

NARCIS (Netherlands)

Bertrand, Benoit; de Almeida, Andreia; van der Burgt, Evelien P. M.; Picquet, Michel; Citta, Anna; Folda, Alessandra; Rigobello, Maria Pia; Le Gendre, Pierre; Bodio, Ewen; Casini, Angela

N-Heterocyclic carbene gold(I) complexes bearing a fluorescent coumarin ligand were synthesized and characterized by various techniques. The compounds were examined for their antiproliferative effects in normal and tumor cells in vitro; they demonstrated moderate activity and a certain degree of

Studying the interaction between three synthesized heterocyclic sulfonamide compounds with hemoglobin by spectroscopy and molecular modeling techniques.

Science.gov (United States)

Naeeminejad, Samane; Assaran Darban, Reza; Beigoli, Sima; Saberi, Mohammad Reza; Chamani, Jamshidkhan

2017-11-01

The interaction between synthesized heterocyclic benzene sulfonamide compounds, N-(7-benzyl-56-biphenyl-2m-tolyl-7H-pyrrolo[23-d]pyrimidine-4-yl)-benzene sulfonamide (HBS 1 ), N-(7-benzyl-56-biphenyl-2-m-tolyl-7H-pyrrolo[23-d] pyrimidine-4-yl)-4-methyl- benzene sulfonamide (HBS 2 ), and N-(7-benzyl-56-biphenyl-2-m-tolyl-7H-pyrrolo[23-d]pyrimidine-4-yl)-4-chloro-benzene sulfonamide (HBS 3 ) with Hb was studied by fluorescence quenching, zeta potentional, circular dichroism, and molecular modeling techniques. The fluorescence spectroscopy experiments were performed in order to study the conformational changes, possibly due to a discrete reorganization of Trp residues during binding between HBS derivatives and Hb. The variation of the K SV value suggested that hydrophobic and electrostatic interactions were the predominant intermolecular forces stabilizing the complex. The K SV1 ans K SV2 values of HBS derivatives with Hb are .6 × 10 13 and 3 × 10 13  M -1 for Hb-HBS 1 , 1 × 10 13 and 4 × 10 13  M -1 for Hb-HBS 2 , .9 × 10 13 , and 6 × 10 13  M -1 for Hb-HBS 3 , respectively. The molecular distances between Hb and HBS derivatives in binary and ternary systems were estimated according to Förster's theory of dipole-dipole non-radiation energy transfer. The quantitative analysis data of circular dichroism spectra demonstrated that the binding of the three HBS derivatives to Hb induced conformational changes in Hb. Changes in the zeta potential of the Hb-HBS derivatives complexes demonstrated a hydrophobic adsorption of the anionic ligand onto the surface of Hb as well as both electrostatic and hydrophobic adsorption in the case of the complex. The modeling data thus confirmed the experimental results. This study is expected to provide important insight into the interaction of Hb with three HBS derivatives to use in various toxicological and therapeutic processes.

Photoresponse and DFT studies of new synthesized 2-benzylidene-3-hydroxy -1-(5,6-diphenyl-1,2,4-triazine-3-yl)hydrazine and optical sensor application

Science.gov (United States)

Taha, A.; Farag, A. A. M.; Adly, O. M. I.; Roushdy, N.; Shebl, Magdy; Ahmed, H. M.

2017-08-01

A newly Schiff base,2-benzylidene-3-hydroxy-1-(5,6-diphenyl-1,2,4-triazine-3-yl)hydrazine] (HBDHT) was synthesized and characterized on the basis of micro-analytical and spectroscopic studies. Basic parameters of the combined compound HBDHT were ascertained on the premise of DFT level actualized on Gaussian 09. Thin films of HBDHT were successfully prepared by spin coating technique and confirmed by atomic force microscopy (AFM). The optical attributes of the studied films were considered utilizing spectrophotometric estimations in a wide spectral range of 200-2500 nm. Some important optical parameters such as extinction index, refractive index, dispersion energy, oscillator energy and high-frequency dielectric constant were extracted. Analysis of the absorption coefficient near the fundamental absorption edge confirms an indirectly allowed transition with an energy gap of 1.7eV. The refractive index dispersion was estimated on basis of single oscillator model expressed by Wemple-Didomenico. Current-voltage (I-V) characteristics were studied in dark and under illumination of 100 mW/cm2 to clarify the sensitivity to light. Moreover, the photo-transient properties were also investigated to confirm that the prepared heterojunction based HBDHT can be operated as a photodiode.

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

A longitudinal study of air contaminants in a newly built preschool. [Sweden

Energy Technology Data Exchange (ETDEWEB)

Berglund, B. (Univ. of Stockholm, Sweden); Johansson, I.; Lindvall, T.

1982-01-01

The air quality in a newly built preschool was investigated in a longitudinal study. Typical air contaminants emanating from building materials were determined, their variation over time (0-18 months) was measured, and the influence of the ventilation system (81%-91% recirculation of return air) on contaminant concentrations was studied. Volatile organic compounds were sampled by adsorption on porous polymer, analysed by a GC/FID system, and identified by MS. A spatial build-up in concentration (ppb or ..mu..g/m/sup 3/ levels) is evident for all the organic compounds, as well as for CO/sub 2/, from the outdoor air, through the ventilation system, and through the rooms to the exhaust air. The longitudinal comparison over time shows that all the organic compounds decline in concentration mainly within the first 6 months of occupancy: 1-buttanol 4-14 times, toluene and pentanal + hexanal 2-4 times, while formaldehyde remained at a constant low level of 90 ppb (110 ..mu..g/m/sup 3/). It is difficult to believe that the problems of poor air quality in 100 preschools in Stockholm are caused by the organic compounds alone unless interactions occur. A preschool building needs to be gassed off during the first 6 months after its construction with no recirculation of return air allowed (outdoor air rate approx 4-5 ach). During at least 1-2 additional years, it is desired that the recirculation rate of return air is restricted, perhaps to 50%.

In vitro comparison of new bisphosphonic acids and zoledronate effects on human gingival fibroblasts viability, inflammation and matrix turnover.

Science.gov (United States)

De Colli, Marianna; Tortorella, Paolo; Marconi, Guya Diletta; Agamennone, Mariangela; Campestre, Cristina; Tauro, Marilena; Cataldi, Amelia; Zara, Susi

2016-11-01

Bisphosphonates (BPs) are drugs clinically used in resorptive diseases. It was already proved that some clinically relevant BPs can inhibit a class of enzymes called matrix metalloproteinases (MMPs), required during tissue remodelling. Combining the arylsulfonamide function with the bisphosphonic group, several compounds were synthesized to obtain selective inhibitors of MMPs. The aim of the present study was to compare the effect of zoledronic acid (ZA), the most potent bisphosphonate available as therapy, with new sulfonamide containing BPs in an in vitro model of human gingival fibroblasts (HGFs). Western blot was used to measure procollagen I, β1 integrin MMP-8 and MMP-9, phase contrast and MTT for cell viability; L-lactate-dehydrogenase (LDH) measurement was performed for toxicity evaluation and ELISA for prostaglandin E 2 (PGE 2 ) secretion assessment. When compared with ZA, the treatment with the newly synthesized compounds shows increasing viability, procollagen I expression and decreased expression of β1 integrin in HGFs. Higher levels of released LDH, PGE 2 and MMP-9 expression are recorded in ZA-treated HGFs. Increased levels of MMP-8 are recorded in newly synthesized compounds-treated samples. These findings allowed to conclude that new tested BPs did not affect HGFs viability and adhesion, did not induce cellular toxicity, were not responsible for inflammatory event induction and could preserve the physiological matrix turnover. It could be hypothesized that the new molecules were better tolerated by soft tissues, resulting in lesser side effects.

Synthesis and pharmacological characterization of novel xanthine carboxylate amides as A2A adenosine receptor ligands exhibiting bronchospasmolytic activity.

Science.gov (United States)

Yadav, Rakesh; Bansal, Ranju; Rohilla, Suman; Kachler, Sonja; Klotz, Karl-Norbert

2016-04-01

The carboxylate amides of 8-phenyl-1,3-dimethylxanthine described herein represent a new series of selective ligands of the adenosine A2A receptors exhibiting bronchospasmolytic activity. The effects of location of 8-phenyl substitutions on the adenosine receptor (AR) binding affinities of the newly synthesized xanthines have also been studied. The compounds displayed moderate to potent binding affinities toward various adenosine receptor subtypes when evaluated through radioligand binding studies. However, most of the compounds showed the maximum affinity for the A2A subtype, some with high selectivity versus all other subtypes. Xanthine carboxylate amide 13b with a diethylaminoethylamino moiety at the para-position of the 8-phenylxanthine scaffold was identified as the most potent A2A adenosine receptor ligand with Ki=0.06μM. Similarly potent and highly A2A-selective are the isovanillin derivatives 16a and 16d. In addition, the newly synthesized xanthine derivatives showed good in vivo bronchospasmolytic activity when tested in guinea pigs. Copyright © 2016 Elsevier Inc. All rights reserved.

Development of manufacturing method of thermal-resisting concrete with highly synthesizing xonotolite

International Nuclear Information System (INIS)

Yamamoto, Takeshi; Hironaga, Michihiko

2006-01-01

Xonotolite is one of the most stable Ca-Si hydration compounds in the cementitious material. The authors have been developing anti-drying shrinkage concrete with focusing on the stable compounds, i.e. Tobermorite and Xonotolite. In this study, we proposed the manufacturing method of anti-drying shrinkage concrete with using low calcium/silica ratio cementitious material and applying autoclave curing. The compressive strength of proposed concrete was about 40N/mm 2 , and drying shrinkage under 110degC for 1 year was ranged from 0.04 to 0.06%. There was no amount released of combined water from the proposed concrete during exposure, so the stability of main synthesized compound in the proposed concrete was clarified. On the other hand, the conventional cementitious mortar showed from 0.1 to 0.13% of drying shrinkage and high amount release of combined water from the surface area of C-S-H colloid with resulting to widen the volume of pore among the colloid particle of C-S-H. (author)

Magnesium-molybdenum compounds as matrixes of 99m Tc generators

International Nuclear Information System (INIS)

Jimenez M, T.S.

2005-01-01

In order to finding new production alternatives of 99 Mo/ 99m Tc generators, easy to produce and with high elutriation efficiencies, it is proposed in this work to develop a generator with basis of magnesium and molybdenum that could be irradiated after their synthesis, given the short half life of the only radioisotope produced by the magnesium: 27 Mg (t 1/2 = 9.46 m). It is necessary to mention that have not been reported works in relation to this type of compound, being then important to carry out basic studies on the formation and behavior of these in relation to their matrix functions of those generated of 99 Mo/ 99m Tc. In this work it was determined the effect that has, the magnesium salt used in the synthesis of those molybdenum-magnesium compounds, the molar ratio Mo: Mg, the concentration of the magnesium salt, the pH of the used ammonium molybdates in the synthesis of the final compounds and the washing of the molybdates of synthesized magnesium, in the performance of the 99 Mo/ 99m Tc generators. Parameters like the elutriation efficiency, the radionuclide purity, radiochemical and chemical of the eluates and their pH, were determined in each case, also its were characterized the synthesized compounds using: neutron activation analysis (NAA), X-ray diffraction (XRD) and scanning electron microscopy of high vacuum (SEM), besides of complementary techniques: infrared spectroscopy (IR), and thermal gravimetric analysis (TGA). (Author)

Synthesis and studies of some organometallic compounds of uranium IV

International Nuclear Information System (INIS)

Marquet-Ellis, Hubert; Folcher, Gerard.

1975-06-01

The organometallic compounds of uranium IV have been well known for a long-time but some difficulties in the synthese subsist. The procedures and the apparatus allowing to obtain these compounds with good yields are described. The cyclopenta dienyl compounds U(C 5 H 5 ) 3 Cl, U(C 5 H 5 ) 4 are prepared by reaction of UCl 4 with Na(C 5 H 5 ) in tetrahydrofurane. The cyclooctatetraene compound U(C 8 H 8 ) 2 ''Uranocene'' is obtained by reaction of K 2 (C 8 H 8 ) on UCl 4 in tetrahydrofurane. The NMR spectrum of the solution during the reaction shows the appearance of the product. These compounds have been identified by chemical analysis and X rays. The visible spectra of U(C 5 H 5 ) 2 Cl and U(C 8 H 8 ) 2 in gaseous phase have been obtained [fr

synthesis and labelling of some nitrogenous heterocyclic compounds

International Nuclear Information System (INIS)

Mahmoud, A.A.L.

2002-01-01

the imidazole nucleus has wide range of pharmaceutical activities . also , radioiodinated compounds are used in nuclear medicine. this thesis deals with the synthesis of 2-(iodophenyl)-4-oxazoline-5-ons e, which are used as starting materials in the synthesis of the corresponding imidazolinone derivatives. also, it deals with radioiodination f the synthesized compounds to evaluate their application in nuclear medicine. interaction of o- iodo hippuric acid (I) with aromatic aldehydes (i.e., benzaldehyde, p- methoxybenzaldehyde and p- nitrobenzaldehyde) in acetic anhydride and in the presence of fused sodium acetate effected cyclization to afford the corresponding 2-(2-iodophenyl)-4-arylidene- 2-oxazoline-5-ones(l l a-c )

Synthesis of phthalocyanines-ALA conjugates: water-soluble compounds with low aggregation.

Science.gov (United States)

de Oliveira, Kleber T; de Assis, Francisco F; Ribeiro, Anderson O; Neri, Claudio R; Fernandes, Adjaci U; Baptista, Mauricio S; Lopes, Norberto P; Serra, Osvaldo A; Iamamoto, Yassuko

2009-10-16

Syntheses of two water-soluble phthalocyanines (Pc) containing 5-aminolevulinic acid (ALA) linked to the core structure are described. These compounds were prepared by using original functionalizations, and they present remarkable structural and photophysical features, indicating that they could be applied to photodynamic therapy (PDT).

INHIBITORY ACTIVITY OF AN IMIDAZOLE COMPOUND ON ECDYSIOSYNTHETIC ORGANS IN MEALWORMS UNDER IN VIVO AND IN VITRO CONDITIONS

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N SOLTANI-MAZOUNI

2000-12-01

Full Text Available KK-42, an imidazole derivative was tested on adult females of Tenebrio molitor L. (Insecta: Coleoptera. The compound was applied topically (1, 5, 10 mg/insect on 0- or 2-day old adult females or added to the culture medium (1 and 10 mM of abdominal sternites explanted from newly ecdysed pupae or ovaries removed from 2- and 4-day old adult females. Ecdysteroid measurements using an enzymo-immunoassay demonstrated that this compound applied on newly emerged adult females reduced the hormonal amounts in ovaries. However, when applied later, i.e. on 2-day old females corresponding to the beginning of the vitellogenesis, it had no significant effect on the amount of ovarian ecdysteroids with the lowest dose. Finally, the compound was also tested on the in vitro production of ecdysteroids. The amount of ecdysteroid released into the culture medium by ovaries or integumental explants were significantly reduced by KK-42.

Volatile organic compounds adsorption using different types of adsorbent

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Pimanmes Chanayotha

2014-09-01

Full Text Available Adsorbents were synthesized from coconut shell, coal and coke by pyrolysis followed by chemical activation process. These synthesized materials were used as adsorbents in adsorption test to determine the amount of volatile organic compounds (VOCs namely, 2-Hydroxyethyl methacrylate (HEMA, Octamethylcyclotetrasiloxane and Alkanes standard solution (C8-C20. The adsorption capacities of both synthesized adsorbents and commercial grade adsorbents (Carbotrap™ B and Carbotrap™ C were also compared. It was found that adsorbent A402, which was produced from coconut shell, activated with 40% (wt. potassium hydroxide and at activating temperature of 800°C for 1 hr, could adsorb higher amount of both HEMA and Octamethylcyclotetrasiloxane than other synthesized adsorbents. The maximum adsorption capacity of adsorbent A402 in adsorbing HEMA and Octamethylcyclotetrasiloxane were 77.87% and 50.82% respectively. These adsorption capabilities were 79.73% and 70.07% of the adsorption capacity of the commercial adsorbent Carbotrap™ B respectively. All three types of the synthesized adsorbent (A402, C302, C402 showed the capability to adsorb alkanes standard solution through the range of C8-C20 . However, their adsorption capacities were high in a specific range of C10-C11. The result from the isotherm plot was indicated that surface adsorption of synthesized adsorbent was isotherm type I while the surface adsorption of commercial adsorbent was isotherm type III.

Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands

International Nuclear Information System (INIS)

Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin

2017-01-01

Nine new lanthanide coordination polymers, namely, [Ln(Hsfpip)(ox) 0.5 (H 2 O)] n ·2n(H 2 O) ((Ln=Eu (1), Tb (2), Dy (3), Ho (4), Er (5), Yb (6), Y(7)), [Ln(H 2 sfpip)(ox)(H 2 O) 4 ] n ·2n(H 2 O) (Ln=Nd (8) Sm (9)), [H 2 ox=oxalic acid, H 3 sfpip=2-(2,4-disulfophenyl)imidazo(4,5-f)(1,10)-phenanthroline] have been synthesized under hydrothermal conditions and characterized by IR spectra, elemental analysis, powder X-ray diffraction and single crystal X-ray diffraction. When sodium oxalate is added, the reactions of lanthanide ions with H 3 sfpip resulted in two types of structures. Compounds 1–7 are obtained at pH 5.0 and exhibit 3D tfz-d networks with ox 2− anions as linkers to bridge the adjacent layers. Compounds 8–9 are obtained at pH 2.0, and display a 1D chain which is further extended to a 3D supramolecular framework through intermolecular hydrogen bonds and π-π interactions. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. Moreover, the thermal stabilities and luminescence properties of 1–9 were also investigated. - Graphical abstract: Nine new lanthanide coordination polymers have been synthesized under hydrothermal conditions. Compounds 1–7 exhibit a 3D tfz-d network. Compounds 8–9 display a 1D chain structure. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. - Highlights: • Nine lanthanide coordination polymers were prepared under hydrothermal conditions. • Their crystal structures have been determined. • The luminescence and thermal stabilities were studied in the solid state.

Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands

Energy Technology Data Exchange (ETDEWEB)

Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming, E-mail: ChemHu1@NWU.EDU.CN; An, Ran; Yang, Meng-Lin; Xue, Ganglin

2017-01-15

Nine new lanthanide coordination polymers, namely, [Ln(Hsfpip)(ox){sub 0.5}(H{sub 2}O)]{sub n}·2n(H{sub 2}O) ((Ln=Eu (1), Tb (2), Dy (3), Ho (4), Er (5), Yb (6), Y(7)), [Ln(H{sub 2}sfpip)(ox)(H{sub 2}O){sub 4}]{sub n}·2n(H{sub 2}O) (Ln=Nd (8) Sm (9)), [H{sub 2}ox=oxalic acid, H{sub 3}sfpip=2-(2,4-disulfophenyl)imidazo(4,5-f)(1,10)-phenanthroline] have been synthesized under hydrothermal conditions and characterized by IR spectra, elemental analysis, powder X-ray diffraction and single crystal X-ray diffraction. When sodium oxalate is added, the reactions of lanthanide ions with H{sub 3}sfpip resulted in two types of structures. Compounds 1–7 are obtained at pH 5.0 and exhibit 3D tfz-d networks with ox{sup 2−} anions as linkers to bridge the adjacent layers. Compounds 8–9 are obtained at pH 2.0, and display a 1D chain which is further extended to a 3D supramolecular framework through intermolecular hydrogen bonds and π-π interactions. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. Moreover, the thermal stabilities and luminescence properties of 1–9 were also investigated. - Graphical abstract: Nine new lanthanide coordination polymers have been synthesized under hydrothermal conditions. Compounds 1–7 exhibit a 3D tfz-d network. Compounds 8–9 display a 1D chain structure. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. - Highlights: • Nine lanthanide coordination polymers were prepared under hydrothermal conditions. • Their crystal structures have been determined. • The luminescence and thermal stabilities were studied in the solid state.

Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

International Nuclear Information System (INIS)

Frankovsky, Rainer

2013-01-01

The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La 3 Pd 4 Ge 4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO 1-x F x . This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe 1-x Mn x AsO 1-y F y were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

A new class of potential chloroquine-resistance reversal agents for Plasmodia: syntheses and biological evaluation of 1-(3'-diethylaminopropyl)-3-(substituted phenylmethylene)pyrrolidines.

Science.gov (United States)

Batra, S; Srivastava, P; Roy, K; Pandey, V C; Bhaduri, A P

2000-09-07

1-(3'-Diethylaminopropyl)-3-(substituted phenylmethylene)pyrrolidines were synthesized and evaluated for CQ-resistant reversal activity. In general the compounds of the series elicit better biological response than their phenylmethyl analogues. The most active compound 4b has been evaluated in vivo in detail, and the results are presented. The possible mode of action of the compounds of this series is by inhibition of the enzyme heme oxygenase, thereby increasing the levels of heme and hemozoin, which are lethal to the parasite.

Study on the Preparation and Antileukemic Activity of New Lipophilic 1-β-D-arabinofuranosylcytosine Derivatives

Science.gov (United States)

Chu, Yanyan; Tian, Zhenhua; Hou, Yingwei; Li, Wenbao

2018-04-01

Cytarabine (1-β-D-arabinofuranosylcytosine, Ara-C), isolated from a Caribbean sponge species Tethyacrypta, is the first antitumor drug from a marine resource. In 1980, the US Food and Drug Administration approved this drug for the treatment of different types of leukemia. This drug has a short plasma half-life, low stability, limited bioavailability, and severe side effects. To improve stability and bioavailability, we synthesized nine novel derivatives by blocking the cytarabine metabolic sites and improving lipophilicity. The cLogP values of the newly synthesized compounds were calculated. All the synthesized compounds were more lipophilic than cytarabine, resulting in membrane permeability and bioavailability improvement. The antitumor activities against leukemia cell line HL-60 were evaluated by using the MTT assay. The bioassay results revealed that the IC50 values of compounds 5, 8 and 9 were 0.080, 0.090 and 0.057 μmol L-1, respectively, which was similar with that of cytarabine (0.056 μmol L-1). In comparison, compound 4 with a phosphate group at O5' was inactive. Because phosphoester bonds are easily hydrolyzed by alkaline phosphatase and are commonly used in producing prodrug strategies, compound 4 might also be metabolized in vivo and generate compound 3 or even cytarabine through a multi-step reaction. Thus, compound 4 might be a promising compound to be developed as a prodrug.

Diterpenes Synthesized from the Natural Serrulatane Leubethanol and Their in Vitro Activities against Mycobacterium tuberculosis

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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.

Microstructure and tribological properties of TiCu2Al intermetallic compound coating

International Nuclear Information System (INIS)

Guo Chun; Zhou Jiansong; Zhao Jierong; Wang Linqian; Yu Youjun; Chen Jianmin; Zhou Huidi

2011-01-01

TiCu 2 Al ternary intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding. Tribological properties of the prepared TiCu 2 Al intermetallic compound coating were systematically evaluated. It was found that the friction coefficient and wear rate was closely related to the normal load and sliding speed, i.e., the friction coefficient of the prepared TiCu 2 Al intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the TiCu 2 Al intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate first increased and then decreased at normal load from 5 to 15 N.

Infrared Absorption Spectra, Radiative Efficiencies, and Global Warming Potentials of Newly-Detected Halogenated Compounds: CFC-113a, CFC-112 and HCFC-133a

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Maryam Etminan

2014-07-01

Full Text Available CFC-113a (CF3CCl3, CFC-112 (CFCl2CFCl2 and HCFC-133a (CF3CH2Cl are three newly detected molecules in the atmosphere that are almost certainly emitted as a result of human activity. It is important to characterise the possible contribution of these gases to radiative forcing of climate change and also to provide information on the CO2-equivalence of their emissions. We report new laboratory measurements of absorption cross-sections of these three compounds at a resolution of 0.01 cm−1 for two temperatures 250 K and 295 K in the spectral range of 600–1730 cm−1. These spectra are then used to calculate the radiative efficiencies and global warming potentials (GWP. The radiative efficiencies are found to be between 0.15 and 0.3 W∙m−2∙ppbv−1. The GWP for a 100 year time horizon, relative to carbon dioxide, ranges from 340 for the relatively short-lived HCFC-133a to 3840 for the longer-lived CFC-112. At current (2012 concentrations, these gases make a trivial contribution to total radiative forcing; however, the concentrations of CFC-113a and HCFC-133a are continuing to increase. The 2012 CO2-equivalent emissions, using the GWP (100, are estimated to be about 4% of the current global CO2-equivalent emissions of HFC-134a.

Comparative catalytic reduction of 4-nitrophenol by polyacrylamide-gold nanocomposite synthesized by hydrothermal autoclaving and conventional heating routes

Science.gov (United States)

Salaheldin, Hosam I.

2017-12-01

Gold nanoparticles (AuNPs) in polymeric polyacrylamide (PAAm) matrix were synthesized using conventional heating and autoclaving thermal techniques. The synthesized Au/PAAm nanocomposite was characterized using UV-vis spectroscopy and high-resolution transmission electron microscopy. The size of the synthesized particles was approximately 6.37 nm and 8.19 nm with the conventional heating and autoclaving thermal techniques, respectively. Electron diffraction x-ray spectroscopy and the Fourier transformation infrared spectroscopy were used for the composition and elemental studies, which confirmed that the Au metallic atoms were synthesized and embedded within a PAAm matrix via a coordination bond between the carbonyl (-CONH2) group and the metallic NPs. X-ray diffraction confirmed the crystalline nature of the fabricated AuNPs with face centered cubic of nanocrystals. The catalytic activity of the as-prepared Au/PAAm nanocomposite for the reduction of 4-nitrophenol to 4-aminophenol was studied in the presence of sodium borohydrate. The synthesized AuNPs had an effective catalytic activity; the smaller NPs synthesized NPs with the conventional heating technique had a higher reaction kinetic rate in comparation with those synthesized with the autoclaving technique. Therefore, the Au/PAAm nanocomposite can be widely used as an eco-friendly, non-toxic, a fast and cost-effective product to remove versatile organic pollutants such as aromatic nitro compounds.

Claisen, Cope and Related Rearrangements in the Synthesis of Flavour and Fragrance Compounds

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Janusz Nowicki

2000-08-01

Full Text Available A review of the use of the Claisen, Cope and related [3,3]-sigmatropic rearrangements, sequential ("tandem" sigmatropic rearrangements and the "ene" reaction in the syntheses of flavour and fragrance compounds is presented.

Development and Characterization of Titanium Compound N anostructures

Science.gov (United States)

Zhou, Zhou

The development and characterization of titanium compound nanostructures have been achieved, for potential applications in energy industry. Oil and gas, one of the traditional industry fields, observes accumulating demands on active implementations of nanotechnology, for the numerous advantages that nanomaterials can introduce to both product performances and field operations. By using chemical vapor deposition and liquid exfoliation, various titanium compound nanostructures have been synthesized through this project. Attractively, these two material fabrication methods have been recognized to be industrial friendly in terms of cost efficiency and productivity. The development of nanostructures, aiming at oil and gas field applications, presents novel solutions for existing issues, such as low durability of drilling tools, high friction in mechanical operations and ineffective heat dissipation. Titanium compound nanostructures, including titanium borides, nitrides and sulfides are therefore investigated for such applications as protective coating, lubrication and thermal management.

Synthesis and biological evaluation of novel urea and thiourea derivatives of valacyclovir

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Katla Ramana Venkata

2014-01-01

Full Text Available A series of novel urea and thiourea derivatives of valacyclovir were efficiently synthesized in high yields and evaluated their antiviral activity. 2-((6-Amino-4-oxo-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-ylmethoxyethyl-2-amino-3-ethylbutanoate (valacyclovir 1 is reacted with various aromatic isocyanates/thiocyanates 2 in the presence of N, N- dimethyl piperazine as a base in THF: pyridine (4:1 to obtain valacyclovir urea/thiourea derivatives 3(a-j. The structures of the title compounds 3(a-j were confirmed by IR, NMR (1H, 13C, mass spectral and elemental analysis. The newly synthesized compounds were screened for their antiviral activity against Tobacco mosaic virus (TMV and antioxidant activity was evaluated by DPPH, SOD and GST methods. The title compounds exhibited potent antiviral and good antioxidant activities.

Hybrid Pharmacophoric Approach in the Design and Synthesis of Coumarin Linked Pyrazolinyl as Urease Inhibitors, Kinetic Mechanism and Molecular Docking.

Science.gov (United States)

Saeed, Aamer; Mahesar, Parvez Ali; Channar, Pervaiz Ali; Larik, Fayaz Ali; Abbas, Qamar; Hassan, Mubashir; Raza, Hussain; Seo, Sung-Yum

2017-08-01

The current research article reports the synthesis of coumarinyl pyrazolinyl thioamide derivatives and their biological activity as inhibitors of jack bean urease. The coumarinyl pyrazolinyl thioamides were synthesized by reacting thiosemicarbazide with newly synthesized chalcones to afford the products in good yields and the synthesized compounds were purified by recrystallization. Coumarinyl pyrazolinyl thioamide derivatives 5a - 5q showed significant activity against Urease enzyme and also exhibited good antioxidant potential. The compound 3-(2-oxo-2H-chromen-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (5n) was found to be superior agent in the series with an IC 50  = 0.358 ± 0.017 μm compared to standard thiourea with an IC 50  = 4720 ± 174 μm. To undermine the binding mode of inhibition kinetic studies were performed for most potent derivative and it was found that compound 5n inhibits urease enzyme by non-competitive mode of inhibition. Molecular docking studies were carried out to delineate the binding affinity of the synthesized derivatives. © 2017 Wiley-VHCA AG, Zurich, Switzerland.

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.

Water linked 3D coordination polymers: Syntheses, structures and applications

Energy Technology Data Exchange (ETDEWEB)

Singh, Suryabhan, E-mail: sbs.bhu@gmail.com; Bhim, Anupam

2016-12-15

Three new coordination polymers (CPs) based on Cd and Pb, [Cd(OBA)(μ-H{sub 2}O)(H{sub 2}O)]{sub n}1, [Pb(OBA)(μ-H{sub 2}O)]{sub n}2 [where OBA=4,4’-Oxybis(benzoate)] and [Pb(SDBA)(H{sub 2}O)]{sub n}.1/4DMF 3 (SDBA=4,4’-Sulfonyldibenzoate), have been synthesized and characterized. The single crystal structural studies reveal that CPs 1 and 2 have three dimensional structure. A water molecule bridges two metal centres which appears to the responsible for the dimensionality increase from 2D to 3D. Compound 3 has a supramolecular 3D structure involving water molecule and hydrogen bonds. A structural transformation is observed when 3 was heated at 100 °C or kept in methanol, forming [Pb(SDBA)]{sub n}4. Compound 4 is used as supporting matrix for palladium nanoparticles, PdNPs@4. The PdNPs@4 exhibits good catalytic activity toward the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in the presence of NaBH{sub 4} at room temperature. Luminescence studies revealed that all CPs could be an effective sensor for nitroaromatic explosives. - Graphical abstract: Three new CPs based on Cd and Pb, have been synthesized and characterized. A water molecule bridges two metal centres which appears to the responsible for the dimensionality increase from 2D to 3D. One of the CP is used as supporting matrix for palladium nanoparticles, PdNPs@4. The PdNPs@4 exhibits good catalytic activity toward the reduction of 4-nitrophenol. Luminescence studies shown that all CPs could be an effective sensor for nitroaromatic explosives. - Highlights: • Three new CPs based on Cd and Pb, have been synthesized and characterized. • A water molecule bridges two metal centres which appears to the responsible for the dimensionality increase from 2D to 3D. • One of the CP is used as supporting matrix for palladium nanoparticles, PdNPs@4. • Luminescence studies shown that all CPs could be an effective sensor for nitroaromatic explosives.

Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid

Energy Technology Data Exchange (ETDEWEB)

Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong, E-mail: sunyq@fzu.edu.cn; Chen, Yi-Ping

2017-02-15

Two series of lanthanide-carboxylates, [Ln(2,2′-dtba)(2,2′-Hdtba)(EtOH)]{sub n} (I:Ln=Eu(1a), Dy(1b)) and [Ln(2,2′-dtba)(2,2′-Hdtba)(4,4′-bpy){sub 0.5}]{sub n} (II:Ln=Eu(2a), Dy(2b), Tb(2c) 2,2′-H{sub 2}dtba=2,2′-dithiodibenzoic acid, 4,4′-bpy=4,4′-bipyridine) have been synthesized under hydrothermal conditions. Interestingly, the H{sub 2}dtba organic ligand was generated by in situ S–S reaction of 2-mercaptobenzoic acid. Compounds I and II possess different 2D layered structures based on similar 1D [Ln(2,2′-dtba)]{sup +} chains. Photoluminescence studies reveal that compounds I and II exhibit strong lanthanide characteristic emission bands. Remarkably, Compounds 1b and 2a both exhibit good photocatalytic activity for degradation of Rhodamine-B (Rh-B) under the simulated sunlight irradiation. - Graphical abstract: Two series of lanthanide-carboxylates have been in situ synthesized under hydrothermal conditions. The lanthanide-carboxylates exhibit strong lanthanide characteristic emission bands and good photocatalytic activity for degradation of Rhodamine-B. - Highlights: • 2D layered lanthanide-carboxylates with 2,2′-dithiodibenzoic acid. • In situ S–S reaction of 2-mercaptobenzoic acid under hydrothermal condition. • The Emission spectra of I and II exhibit the characteristic transition of lanthanide ions. • Compounds 1b and 2a exhibit good photocatalytic activity for degradation of Rhodamine-B.

Study of bismuth oxide compounds as cathodic materials in lithium accumulators

International Nuclear Information System (INIS)

Apostolova, R.D.; Shembel', E.M.

1999-01-01

Two groups of bismuth oxide base compounds: rare earth bismuthides - SmBiO 3 and EuBiO 3 , as well as the Aurivillius phase - Bi 4 V 2 O 11 , were synthesized and electrochemically studied as novel cathodic materials for high-energy lithium current sources [ru

Hydrazine-hydrothermal method to synthesize three-dimensional chalcogenide framework for photocatalytic hydrogen generation

International Nuclear Information System (INIS)

Liu Yi; Kanhere, Pushkar D.; Wong, Chui Ling; Tian Yuefeng; Feng Yuhua; Boey, Freddy; Wu, Tom; Chen Hongyu; White, Tim J.; Chen Zhong; Zhang Qichun

2010-01-01

A novel chalcogenide, [Mn 2 Sb 2 S 5 (N 2 H 4 ) 3 ] (1), has been synthesized by the hydrazine-hydrothermal method. X-ray crystallography study reveals that the new compound 1 crystallizes in space group P1-bar (no. 2) of the triclinic system. The structure features an open neutral three-dimensional framework, where two-dimensional mesh-like inorganic layers are bridged by intra- and inter-layer hydrazine ligands. Both two Mn1 and Mn2 sites adopt distorted octahedral coordination. While two Sb1 and Sb2 sites exhibit two different coordination geometries, the Sb1 site is coordinated with three S atoms to generate a SbS 3 trigonal-pyramidal geometry, and the Sb2 site adopts a SbS 4 trigonal bipyramidal coordination geometry. It has an optical band gap of about ∼2.09 eV, which was deduced from the diffuse reflectance spectrum, and displays photocatalytic behaviors under visible light irradiation. Magnetic susceptibility measurements show compound 1 obeys the Curie-Weiss law in the range of 50-300 K. -- Graphical abstract: A novel chalcogenide, [Mn 2 Sb 2 S 5 (N 2 H 4 ) 3 ] (1), synthesized by hydrazine-hydrothermal method, has a band gap of about ∼2.09 eV and displays photocatalytic behaviors under visible light irradiation. Display Omitted

Determination of organotin compounds in the foodweb of a shallow freshwater lake in the Netherlands

NARCIS (Netherlands)

Stäb, J.A.; Traas, T.P.; Stroomberg, G.; van Kesteren, J.; Leonards, P.E.G.; van Hattum, A.G.M.; Brinkman, U.A.T.; Cofino, W.P.

1996-01-01

An extensive study on the presence of nine organotin compounds (OT) in a freshwater foodweb was made, using newly developed analytical procedures in order to obtain insight in accumulation and degradation processes. Tributyltin (TBT), Triphenyltin (TPT) and their degradation products were detected.

Infrared spectroscopy of some organocobalt (III) compounds

International Nuclear Information System (INIS)

Benedetti, A.V.; Mauro, A.E.

1982-01-01

The compounds [MeCo(DH) 2 py], [MeCo(DH) 2 H 2 O] (M = methyl; DH = dimethyl-glyoxymate; py = pyridine) and others of general formulae [Co(L)(H 2 O) 2 ] ClO 4 , where L = SALOPHEN = bis (salicylaldehyde)-o-phenylenediimine; SALCN = 1,2-bis (salicylaldehyde) cyclohexylenediimine; SALEN = bis (salicylaldehyde) ethylenediimine; BAE = bis (acetylacetone)-ethylenediimine were synthesized and studied by infrared spectroscopy. The frequencies observed have been assigned to specific group vibrations. (Author) [pt

Synthesis of deuterium-labelled compounds for FOTEK project; Syntese af deuterium-maerkede forbindelser til FOeTEK projektet

Energy Technology Data Exchange (ETDEWEB)

Joergensen, O.; Egsgaard, H.; Larsen, E. [Forskningscenter Risoe, Roskilde (Denmark)

1996-06-01

In the FoTech project there have been utilized labelled compounds of stable isotopes as internal standards. Some of these compounds are commercially available ({sup 13}C-labelled PCB congeners, {sup 13}C-labelled diethylstilbestrol for determination of anabolic steroids). Others, like D{sub 9}-clenbuterol, D{sub 3}-clenbuterol, D{sub 3}-zeramol and D{sub 3}-dimetridazol have been synthesized. General aspects of deuterium compounds labelling are considered. (EG).

Newly Homeless Youth Typically Return Home

OpenAIRE

Milburn, Norweeta G.; Rosenthal, Doreen; Rotheram-Borus, Mary Jane; Mallett, Shelley; Batterham, Philip; Rice, Eric; Solorio, Rosa

2007-01-01

165 newly homeless adolescents from Melbourne, Australia and 261 from Los Angeles, United States were surveyed and followed for two years. Most newly homeless adolescents returned home (70% U.S., 47% Australia) for significant amounts of time (39% U.S., 17% Australia more than 12 months) within two years of becoming homeless.

Synthesis of organic compounds 15 N enriched

International Nuclear Information System (INIS)

Oliveira, Claudineia Raquel de; Bendassolli, Jose Albertino; Prestes, Clelber Vieira; Tavares, Glauco Arnold

2002-01-01

The aim of this work was to develop urea- 15 N and glycine- 15 N synthesis for agronomic and biological studies. The production of these compounds was evaluated due to the fact of increasing use of urea, comparing to others solid fertilizers and the importance of glycine in the studies of protein metabolism. A non-conventional method was carried out to synthesize urea. The process involved reaction among Co, NH 3 anidrid and S at low temperature (100 deg C) and of pressure (0,81 mPa) compared to the conventional method. Monolise halets reaction was carried out for glycine synthesis with chloroacetic and ammonia 2 deg C. Both compounds are economic viable, they can be produced at a lower price than the trade market one. (author)

Microstructure and tribological properties of TiAg intermetallic compound coating

International Nuclear Information System (INIS)

Guo Chun; Chen Jianmin; Zhou Jiansong; Zhao Jierong; Wang Linqian; Yu Youjun; Zhou Huidi

2011-01-01

TiAg intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding using Ag powder as the precursor. It has been found that the prepared coating mainly comprised TiAg and Ti phases. The high resolution transmission electron microscopy results further conform the existence of TiAg intermetallic compound in the prepared coating. The magnified high resolution transmission electron microscopy images shown that the laser cladding coating contains TiAg nanocrystalline with the size of about 4 nm. Tribological properties of the prepared TiAg intermetallic compound coating were systematically evaluated. It was found that the friction coefficient and wear rate was closely related to the normal load and sliding speed, i.e., the friction coefficient of the prepared TiAg intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the TiAg intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate increased as the normal load increased.

Microstructure and tribological properties of TiAg intermetallic compound coating

Energy Technology Data Exchange (ETDEWEB)

Guo Chun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Graduate University of Chinese Academy of Sciences, Beijing 100039 (China); Chen Jianmin, E-mail: chenjm@lzb.ac.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhou Jiansong [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhao Jierong; Wang Linqian; Yu Youjun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Graduate University of Chinese Academy of Sciences, Beijing 100039 (China); Zhou Huidi [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

2011-10-01

TiAg intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding using Ag powder as the precursor. It has been found that the prepared coating mainly comprised TiAg and Ti phases. The high resolution transmission electron microscopy results further conform the existence of TiAg intermetallic compound in the prepared coating. The magnified high resolution transmission electron microscopy images shown that the laser cladding coating contains TiAg nanocrystalline with the size of about 4 nm. Tribological properties of the prepared TiAg intermetallic compound coating were systematically evaluated. It was found that the friction coefficient and wear rate was closely related to the normal load and sliding speed, i.e., the friction coefficient of the prepared TiAg intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the TiAg intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate increased as the normal load increased.

Stereocontrolled dopamine receptor binding and subtype selectivity of clebopride analogues synthesized from aspartic acid.

Science.gov (United States)

Einsiedel, Jürgen; Weber, Klaus; Thomas, Christoph; Lehmann, Thomas; Hübner, Harald; Gmeiner, Peter

2003-10-06

Employing the achiral 4-aminopiperidine derivative clebopride as a lead compound, chiral analogues were developed displaying dopamine receptor binding profiles that proved to be strongly dependent on the stereochemistry. Compared to the D1 receptor, the test compounds showed high selectivity for the D2-like subtypes including D2(long), D2(short), D3 and D4. The highest D4 and D3 affinities were observed for the cis-3-amino-4-methylpyrrolidines 3e and the enantiomer ent3e resulting in K(i) values of 0.23 and 1.8 nM, respectively. The benzamides of type 3 and 5 were synthesized in enantiopure form starting from (S)-aspartic acid and its unnatural optical antipode.

Characterization of rhenium compounds obtained by electrochemical synthesis after aging process

Energy Technology Data Exchange (ETDEWEB)

Vargas-Uscategui, Alejandro, E-mail: avargasuscat@ing.uchile.cl [Departamento de Ingeniería de Minas, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile); Mosquera, Edgar [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile); López-Encarnación, Juan M. [Department of Mathematics-Physics and Department of Chemistry, University of Puerto Rico at Cayey, 205 Ave. Antonio R. Barceló, Cayey, PR 00736, USA. (Puerto Rico); Chornik, Boris [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada Av. 2008, Santiago (Chile); Katiyar, Ram S. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico San Juan, San Juan, PR 00931-3343 (United States); Cifuentes, Luis [Departamento de Ingeniería de Minas, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Tupper Av. 2069, Santiago (Chile)

2014-12-15

The proper identification of the molecular nature of the aged rhenium compound obtained by means of electrodeposition from an alkaline aqueous electrolyte was determined. Chemical, structural and vibrational experimental characterization of the aged Re compound showed agreement with quantum-computations, thereby allowing the unambiguous identification of the Re compound as H(ReO{sub 4})H{sub 2}O. - Graphical abstract: Rhenium oxides were electrodeposited on a copper surface and after environmental aging was formed the H(ReO{sub 4})H{sub 2}O compound. The characterization of the synthesized material was made through the comparison of experimental evidence with quantum mechanical computations carried out by means of density functional theory (DFT). - Highlights: • Aged rhenium compound obtained by means of electrodeposition was studied. • The study was made by combining experimental and DFT-computational information. • The aged electrodeposited material is consistent with the H(ReO{sub 4})H{sub 2}O compound.

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.

Synthesis and intramolecular cyclizationof thiosemicarbazide morpholilacetic acid

Directory of Open Access Journals (Sweden)

Moldyr Dyusebaeva

2015-12-01

Full Text Available The paper gives details on the synthesis of four new, potentially biologically active compounds based on amorpholineheterocycle structure. By alkylation of morpholine with ethyl bromoacetate, a morfolilacetic acid ethyl ester was synthesized. Its reaction with hydrazine hydrate led to the hydrazide. We developed the method for synthesis and studied cyclization of thiosemicarbazide morfolilaceticacidin in alkaline medium with formation of bisgeterocyclic system. The possibility of the existence of this compound in two tautomeric forms: thione and thiol, i.e. a 3- (1'-morpholyl-methyl -1,2,4-triazole-5-thione and 3- (1-morpholyl-1'-methyl -5-mercapto-1,2,4-triazole was described. In neutral medium, one product was obtained. According to spectral data, it is attributed to the structure of 3-(1'-morpholil-methyl-1,2,4-triazole-5-thione. Structure of newly synthesized compounds is confirmed by IR and 1H-NMR spectra and data of elemental analysis. These compounds are potentially biologically active substances and are promising for further research.

Triaryl Benzimidazoles as a New Class of Antibacterial Agents against Resistant Pathogenic Microorganisms.

Science.gov (United States)

Picconi, Pietro; Hind, Charlotte; Jamshidi, Shirin; Nahar, Kazi; Clifford, Melanie; Wand, Matthew E; Sutton, J Mark; Rahman, Khondaker Miraz

2017-07-27

A new class of nontoxic triaryl benzimidazole compounds, derived from existing classes of DNA minor groove binders, were designed, synthesized, and evaluated for their antibacterial activity against multidrug resistant (MDR) Gram-positive and Gram-negative species. Molecular modeling experiments suggest that the newly synthesized class cannot be accommodated within the minor groove of DNA due to a change in the shape of the molecules. Compounds 8, 13, and 14 were found to be the most active of the series, with MICs in the range of 0.5-4 μg/mL against the MDR Staphylococci and Enterococci species. Compound 13 showed moderate activity against the MDR Gram-negative strains, with MICs in the range of 16-32 μg/mL. Active compounds showed a bactericidal mode of action, and a mechanistic study suggested the inhibition of bacterial gyrase as the mechanism of action (MOA) of this chemical class. The MOA was further supported by the molecular modeling study.

Magnetic behaviour of a new compound, Eu{sub 2}CuSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Majumdar, Subham; Mallik, R; Sampathkumaran, E V [Tata Institute of Fundamental Research, Mumbai (India)

1999-07-01

As a part of our program to synthesize new ternary Eu compounds, we report here the formation of Eu{sub 2}CuSi{sub 3} for the first time and its magnetic behaviour by magnetic susceptibility, electrical-resistivity and heat-capacity measurements. This compound is found to crystallize in an AlB{sub 2}-derived hexagonal structure. The results establish that Eu ions are divalent, undergoing long-range ferromagnetic-ordering below 38 K. (author)

Characterization of the apoptotic response of human leukemia cells to organosulfur compounds

International Nuclear Information System (INIS)

Wong, W Wei-Lynn; Langler, Richard F; Penn, Linda Z; Boutros, Paul C; Wasylishen, Amanda R; Guckert, Kristal D; O'Brien, Erin M; Griffiths, Rebecca; Martirosyan, Anna R; Bros, Christina; Jurisica, Igor

2010-01-01

Novel therapeutic agents that selectively induce tumor cell death are urgently needed in the clinical management of cancers. Such agents would constitute effective adjuvant approaches to traditional chemotherapy regimens. Organosulfur compounds (OSCs), such as diallyl disulfide, have demonstrated anti-proliferative effects on cancer cells. We have previously shown that synthesized relatives of dysoxysulfone, a natural OSC derived from the Fijian medicinal plant, Dysoxylum richi, possess tumor-specific antiproliferative effects and are thus promising lead candidates. Because our structure-activity analyses showed that regions flanking the disulfide bond mediated specificity, we synthesized 18 novel OSCs by structural modification of the most promising dysoxysulfone derivatives. These compounds were tested for anti-proliferative and apoptotic activity in both normal and leukemic cells. Six OSCs exhibited tumor-specific killing, having no effect on normal bone marrow, and are thus candidates for future toxicity studies. We then employed mRNA expression profiling to characterize the mechanisms by which different OSCs induce apoptosis. Using Gene Ontology analysis we show that each OSC altered a unique set of pathways, and that these differences could be partially rationalized from a transcription factor binding site analysis. For example, five compounds altered genes with a large enrichment of p53 binding sites in their promoter regions (p < 0.0001). Taken together, these data establish OSCs derivatized from dysoxysulfone as a novel group of compounds for development as anti-cancer agents

Two-dimensional inorganic–organic hybrid semiconductors composed of double-layered ZnS and monoamines with aromatic and heterocyclic aliphatic rings: Syntheses, structures, and properties

International Nuclear Information System (INIS)

Wang, Sujing; Li, Jing

2015-01-01

As an addition to the II–VI based inorganic–organic hybrid semiconductor family, five new two-dimensional (2D) double-layered structures have been synthesized employing monoamines with different aromatic or heterocyclic aliphatic rings. Zn 2 S 2 (bza) (1), Zn 2 S 2 (mbza) (2), Zn 2 S 2 (fbza) (3), Zn 2 S 2 (pca) (4), and Zn 2 S 2 (thfa) (5) (bza=benzylamine, mbza=4-methoxybenzylamine, fbza=4-flurobenzylamine, pca=3-picolylamine, and thfa=tetrahydrofurfurylamine) are prepared by solvothermal reactions and characterized by different analytical methods, including powder X-ray diffraction, optical diffuse reflection, thermogravimetric analysis and photoluminescence spectroscopy. The powder X-ray diffraction patterns show that all five compounds adopt 2D double-layered structures. Optical diffuse reflectance spectra of these compounds suggest that they have notably lower band gaps than those of the similar compounds composed of aliphatic alkyl amines. Their photoluminescence properties and thermal stability are also analyzed. - Graphical abstract: Five new members of two-dimensional double-layered 2D-Zn 2 S 2 (L) (L=Ligand) structures employing monoamines with different aromatic or heterocyclic aliphatic rings have been designed, synthesized, and characterized. - Highlights: • A new sub-family of II-VI based hybrid semiconductors are designed, synthesized, and structurally characterized using amines with aromatic or aliphatic cyclic rings. • These compounds have notably lower band gaps than those made of aliphatic alkyl amines, greatly broadening the range of band gaps of this material family. • They emit strongly with systematically tunable emission intensity and energy

Forms of Knowledge Incorporated in Clinical Decision-making among Newly-Graduated Nurses: A Metasynthesis

DEFF Research Database (Denmark)

Voldbjerg, Siri; Elgaard Sørensen, Erik; Grønkjær, Mette

2014-01-01

Clinical-decision-making is of decisive importance to how evidence-based practice is put into practice. Schools of Nursing have a responsibility to teach and train nursing students to make clinical decisions within a frame of evidence-based practice. Clinical decision-making among nurses has been...... explored from numerous angles using a diversity of methodologies. Existing research has mainly focused on promoting and inhibiting factors for implementation of evidence-based practice and incorporation of research evidence in the clinical-decision. Little attention has been given to the nurses' behavior......, including the knowledge that actually informs the newly graduated nurses’ clinical decision. The aim of the study is to combine and synthesize results from qualitative research. Noblit and Hare’s meta-ethnographic approach is used to conduct a metasynthesis of qualitative research that has studied...

Structural investigation of a new antimicrobial thiazolidine compound

Energy Technology Data Exchange (ETDEWEB)

Cozar, I. B.; Pîrnău, A. [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Street, RO-400293 Cluj-Napoca (Romania); Vedeanu, N.; Nastasă, C. [Iuliu Hatieganu University of Medicine and Pharmacy, Faculty of Pharmacy, RO-400023 Cluj-Napoca (Romania)

2013-11-13

Thiazoles and their derivatives have attracted the interest over the last decades because of their varied biological activities: antibacterial, antiviral, antifungal, inflammation or in the treatment of allergies. A new synthesized compound 3-[2-(4-Methyl-2-phenyl-thiazol-5-yl)-2-oxo-ethyl]-thazolidine-2,4-dione was investigated by FT-IR, FT-Raman, {sup 1}H, {sup 13}C NMR spectroscopies and also by DFT calculations at B3LYP/6-31G(d) level of theory. The very good correlation found between the experimental and theoretical data shows that the optimized molecular structure is very close to reality. Also the NMR spectra show a monomeric behaviour of this compound in solutions.

Investigation of transport properties of FeTe compound

Science.gov (United States)

Lodhi, Pavitra Devi; Solanki, Neha; Choudhary, K. K.; Kaurav, Netram

2018-05-01

Transport properties of FeTe parent compound has been investigated by measurements of electrical resistivity, magnetic susceptibility and Seebeck coefficient. The sample was synthesized through a standard solid state reaction route via vacuum encapsulation and characterized by x-ray diffraction, which indicated a tetragonal phase with space group P4/nmm. The parent FeTe compound does not exhibit superconductivity but shows an anomaly in the resistivity measurement at around 67 K, which corresponds to a structural phase transition along with in the vicinity of a magnetic phase transition. In the low temperature regime, Seebeck coefficient, S(T), exhibited an anomalous dip feature and negative throughout the temperature range, indicating electron-like charge carrier conduction mechanism.

Antimicrobial azobenzene compounds and their potential use in biomaterials

Science.gov (United States)

Sessa, L.; Concilio, S.; Iannelli, P.; De Santis, F.; Porta, A.; Piotto, S.

2016-04-01

We recently synthesized a class of active compounds with azobenzene structure [1] and lowest in silico toxicity values. The antimicrobial activity of these molecules and their thermal stability are very promising and indicate that they may have interesting and therapeutically significant applications. This work aims to develop new materials with antibacterial and antifungal activity inserting different percentages of synthetic antimicrobial azo compounds in commercial polymer matrices. We realized thin films using solvent casting and melt compounding techniques. The obtained materials retained the proprieties of the pure matrices. This means that azo dye dissolved in the matrix does not influence the thermal behavior and the morphology of the material. Tested films exhibited the capability to inhibit biofilms formation of S. aureus and C. albicans. Spectrophotometric investigation of the azo compound released from the polymer matrices confirmed that the realized materials might be interesting for biomedical tools, antibacterial surfaces, and films for active packaging.

[Facultative and obligate aerobic methylobacteria synthesize cytokinins].

Science.gov (United States)

Ivanova, E G; Doronina, N V; Shepeliakovskaia, A O; Laman, A G; Brovko, F A; Trotsenko, Iu A

2000-01-01

The presence and expression of genes controlling the synthesis and secretion of cytokinins by the pink-pigmented facultative methylotroph Methylobacterium mesophilicum VKM B-2143 with the serine pathway and nonpigmented obligate methylotroph Methylovorus mays VKM B-2221 with the ribulose monophosphate pathway of C1 metabolism were shown using the polymerase chain reaction (PCR) and reverse transcription-PCR methods. The presence of the corresponding mRNA in M. mesophilicum cells grown on methanol or succinate suggests that the expression of these genes is constitutive. The cytokinin activity of culture liquid and its fractions was determined by a biotest with Amarantus caudatus L. seedlings. Using enzyme-linked immunosorbent analysis, we detected zeatin (riboside) in the culture liquid of both bacteria studied. The data obtained show that the aerobic methylobacteria are phytosymbionts that are able to utilize the single- and polycarbon compounds secreted by symbiotic plants and to synthesize cytokinins.

Synthesis and Biological Activity of 3-(2-Furanyl-6-Aryl-1,2,4-Triazolo[3,4-b]-1,3,4 –Thiadiazoles

Directory of Open Access Journals (Sweden)

Zi-Yi Zhang

2002-08-01

Full Text Available 3-(2-Furanyl-4-amino-5-mercapto-1,2,4-triazole (1 was prepared from 2-furoic acid through a multi-step reaction sequence. Compound 1 reacted with aromatic acids in the presence of phosphorus oxychloride to give 3-(2-furanyl-6-aryl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles (2. The structures of all the newly synthesized compounds have been confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and mass spectra. The bioassay indicated most of the title compounds possess significant growth promoting effects on mung bean radicles.

Histological evaluation of tissue reactions to newly synthetized calcium silicate- and hydroxyapatite-based bioactive materials: in vivo study

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Opačić-Galić Vanja

2017-01-01

Full Text Available Introduction/Objective. Development of materials which could be used as biological bone substitutes is one of the most valuable and active fields of biomaterial research. The goal of the study was to research the reaction of tissue on calcium silicate- (CS and hydroxyapatitebased (CS-HA newly synthesized nanomaterials, after being implanted into the subcutaneous tissue of a rats and direct pulp capping of rabbit teeth. Methods. The tested materials were implanted in 40 Wistar male rats, sacrificed after seven, 15, 30, and 60 days. The direct pulp capping was performed on the teeth of rabbits. Cavities were prepared on the vestibular surface of the incisors. The animals were sacrificed after 10 and 15 days. The control material was mineral trioxide aggregate (MTA. Histological analysis covered the tracking of inflammatory reaction cellular components, presence of gigantic cells, and necrosis of the tissue. Results. Seven days after the implantation, the strongest inflammatory response was given by the MTA (3.3 Ѓ} 0.48, while CS and CS-HA scored 3 ± 0.71. After 60 days, the rate of inflammatory reactions dropped, which was the least visible with CS-HA (0.2 ± 0.45. The least visible inflammatory reaction of the rabbits’ pulp tissue was spotted with the CS (1.83 ± 0.75, than with the MTA and CS-HA (2.67 ± 1.53, 3 ± 0.63. Conclusion. The newly synthesized materials caused a slight reaction of the subcutaneous tissue. CS-HA showed the best tissue tolerance. Nanostructural biomaterials caused a slight to moderate inflammatory reaction of the rabbits’ pulp tissue only in the immediate vicinity of the implanted material.

Stability, Reactivity, and Constituent Interaction in TiSe2-Based Metastable Misfit Layer Compounds Synthesized from Designed Amorphous Precursors

Science.gov (United States)

Merrill, Devin R.

A series of intergrowth compounds with the basic formula [(MSe) 1+delta]m(TiSe2)n are reported. The compounds are prepared from modulated elemental reactants and display interesting structural and electronic behavior. Section 1 of this dissertation outlines initial attempts to characterize constituent interaction. The first member of the SnSe based subclass is reported and displays the highest Seebeck coefficient of any m = n = 1 compound reported to date, and a surprising amount of order is observed, compared to previously reported compounds. With properly established deposition parameters, the synthesis was extended to included the m = 2-4 compounds. These compounds display interesting electronic behavior that suggests the band structure shifts considerably as the SnSe block is expanded, affecting the interaction between the constituent layers. The first compound based on BiSe is then reported, suggesting that the Bi structure donates more conduction electrons to the band structure. Targeted substitution through kinetic control is the focus of Section 2, and a family of (PbxSn1-xSe)1+deltaTiSe 2 is reported over the entire range of x, even though a miscibility gap exists in the bulk PbxSn1-xSe system. The resulting alloyed intergrowth compounds also display equal or higher mobility than the end members, suggesting modulation doping could be used to affect transport properties. As a proof of principle, the analogous system based on a Bi xSn1-xSe constituent was prepared to attempt to systematically affect carrier concentration. It was found that while carrier concentration can be controlled, the evolving structure affects the doping efficiency of the Bi atoms and mobility in the structure. Section 3 outlines attempts to form higher order TiSe2-based heterostructures and the important chemical considerations observed during the preparation of these materials. The 3 component systems in the Pb-Sn-Ti-Se system can be formed at low temperature, with SnSe2 rather than

Synthesis of Novel C-2- or C-15-Labeled BODIPY—Estrone Conjugates

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Ildikó Bacsa

2018-04-01

Full Text Available Novel BODIPY–estrone conjugates were synthesized via Cu(I-catalyzed azide–alkyne cycloaddition (CuAAC. Estrone-alkynes or an estrone-azide as starting compounds were synthesized via Michael addition or Sonogashira reaction as key steps. Fluorescent dyes based on BODIPY-core were provided by azide or alkyne functional groups. Fluorescent labeling of estrone was efficiently achieved at the C-2 or C-15 position. The newly-elaborated coupling procedures might have a broad applicability in the synthesis of fluorescent-labeled estrone conjugates suitable for biological assays.

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

Science.gov (United States)

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.

Microstructure and tribological properties of TiCu{sub 2}Al intermetallic compound coating

Energy Technology Data Exchange (ETDEWEB)

Guo Chun, E-mail: guochun@licp.cas.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Graduate University of Chinese Academy of Sciences, Beijing 100039 (China); Zhou Jiansong [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhao Jierong; Wang Linqian; Yu Youjun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Graduate University of Chinese Academy of Sciences, Beijing 100039 (China); Chen Jianmin; Zhou Huidi [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

2011-04-15

TiCu{sub 2}Al ternary intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding. Tribological properties of the prepared TiCu{sub 2}Al intermetallic compound coating were systematically evaluated. It was found that the friction coefficient and wear rate was closely related to the normal load and sliding speed, i.e., the friction coefficient of the prepared TiCu{sub 2}Al intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the TiCu{sub 2}Al intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate first increased and then decreased at normal load from 5 to 15 N.

Synthesis, Characterization, and Antimicrobial Activities of Coordination Compounds of Aspartic Acid

Directory of Open Access Journals (Sweden)

T. O. Aiyelabola

2016-01-01

Full Text Available Coordination compounds of aspartic acid were synthesized in basic and acidic media, with metal ligand M : L stoichiometric ratio 1 : 2. The complexes were characterized using infrared, electronic and magnetic susceptibility measurements, and mass spectrometry. Antimicrobial activity of the compounds was determined against three Gram-positive and three Gram-negative bacteria and one fungus. The results obtained indicated that the availability of donor atoms used for coordination was a function of the pH of the solution in which the reaction was carried out. This resulted in varying geometrical structures for the complexes. The compounds exhibited a broad spectrum of activity and in some cases better activity than the standard.

Adsorptive removal of bisphenol A using synthesized magnetite nanoparticles

Science.gov (United States)

Orimolade, B. O.; Adekola, F. A.; Adebayo, G. B.

2018-03-01

Bisphenol A (BPA) is an organic compound which is often used as plasticizer and has been reported to be hazardous to man. In this research the efficiency of removal of BPA from water by magnetite through adsorption process was studied. The magnetite was synthesized using reverse co-precipitation method and fully characterized. Various physicochemical parameters affecting the adsorption of BPA using magnetite were studied as well. The optimum time for the adsorption process was found to be 60 min at pH of 6, adsorbent dose of 0.2 g and 50 ppm of BPA. The adsorption data were fitted by the Langmuir adsorption isotherm best with a regression value of 0.957. The R L value was 0.179 which revealed that the process is favorable. The Freundlich constant n which was 1.901 also revealed that the adsorption is normal and favorable. The data were in agreement with the pseudo-second-order kinetics with regression value of 0.98. From the thermodynamic studies, the process was found to be exothermic and the Gibb's free energy value which was negative showed that the adsorption was spontaneous. The synthesized magnetite therefore offers great potential for the remediation of bisphenol A-contaminated media.

Novel endotoxin-sequestering compounds with terephthalaldehyde-bis-guanylhydrazone scaffolds.

Science.gov (United States)

Khownium, Kriangsak; Wood, Stewart J; Miller, Kelly A; Balakrishna, Rajalakshmi; Nguyen, Thuan B; Kimbrell, Matthew R; Georg, Gunda I; David, Sunil A

2006-03-01

We have shown that lipopolyamines bind to the lipid A moiety of lipopolysaccharide, a constituent of Gram-negative bacterial membranes, and neutralize its toxicity in animal models of endotoxic shock. In an effort to identify non-polyamine scaffolds with similar endotoxin-recognizing features, we had observed an unusually high frequency of hits containing guanylhydrazone scaffolds in high-throughput screens. We now describe the syntheses and preliminary structure-activity relationships in a homologous series of bis-guanylhydrazone compounds decorated with hydrophobic functionalities. These first-generation compounds bind and neutralize lipopolysaccharide with a potency comparable to that of polymyxin B, a peptide antibiotic known to sequester LPS.

Evaluation of heterocyclic steroids and curcumin derivatives as anti-breast cancer agents: Studying the effect on apoptosis in MCF-7 breast cancer cells.

Science.gov (United States)

Elmegeed, Gamal A; Yahya, Shaymaa M M; Abd-Elhalim, Mervat M; Mohamed, Mervat S; Mohareb, Rafat M; Elsayed, Ghada H

2016-11-01

Anticancer agents consisting of hybrid molecules are used to improve effectiveness and diminish drug resistance. The current study aimed to introduce newly synthesized hetero-steroids of promising anticancer effects. Besides, the pro-apoptotic effects of new compounds were investigated extensively. Several pyrimidino-, triazolopyrimidino-, pyridazino-, and curcumin-steroid derivatives were synthesized, elucidated and confirmed using the spectral and analytical data. The synthesized hetero-steroids, compounds 9, 10, 11, 12, 13, 14, 15, 18, 20, 21, 22 and 24, were tested for their cytotoxic effects versus human breast cancer cells (MCF-7) using neutral red supravital dye uptake assay. Compound 24 (IC50=18μM) showed more inhibitory influence on MCF-7 growth. Using QRT-PCR (Quantitative real time-polymerase chain reaction), CCND1, Survivin, BCL-2, CDC2, P21 and P53, genes expression levels were investigated. The study results disclose that compounds 4, 7, 18, 24 knocked down the expression levels of CCND1, Survivin, BCL-2 and CDC2. However, P21 and P53 were up-regulated by compounds 21, 22. This study introduced promising pro-apoptotic anticancer agents acting through the modulation of key regulators of apoptosis and cell cycle genes. Copyright © 2016 Elsevier Inc. All rights reserved.

Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

International Nuclear Information System (INIS)

Pachmayr, Ursula Elisabeth

2017-01-01

This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe_1_-_xS_x was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li_0_._8Fe_0_._2)OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li_0_._8Fe_0_._2)OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe_4 tetrahedra were found via this synthesis method. The iron selenides A_2Fe_4Se_6 (A = K, Rb, Cs) consist of double chains of [Fe_2Se_3]"1"-, whereas a new compound Na_6(H_2O)_1_8Fe_4Se_8 exhibits [Fe_4Se_8]"6"- 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard to iron-chalcogenide based superconductors this synthesis strategy is encouraging. It seems probable

Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

Energy Technology Data Exchange (ETDEWEB)

Pachmayr, Ursula Elisabeth

2017-04-06

This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe{sub 1-x}S{sub x} was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li{sub 0.8}Fe{sub 0.2})OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li{sub 0.8}Fe{sub 0.2})OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe{sub 4} tetrahedra were found via this synthesis method. The iron selenides A{sub 2}Fe{sub 4}Se{sub 6} (A = K, Rb, Cs) consist of double chains of [Fe{sub 2}Se{sub 3}]{sup 1-}, whereas a new compound Na{sub 6}(H{sub 2}O){sub 18}Fe{sub 4}Se{sub 8} exhibits [Fe{sub 4}Se{sub 8}]{sup 6-} 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard

Thin films of molecular materials synthesized from fisher's carbene ferrocenyl: Film formation and electrical properties

International Nuclear Information System (INIS)

Sanchez-Vergara, M.E.; Ortiz, A.; Alvarez-Toledano, C.; Moreno, A.; Alvarez, J.R.

2008-01-01

The synthesis of materials from Fisher's carbene ferrocenyl of the elements chromium, molybdenum and tungsten was carried out. The Fisher's compounds that were synthesized included the following combinations of two different metallic atoms: iron with chromium, iron with molybdenum and iron with tungsten. The molecular solids' preparation was done in electro-synthesis cells with platinum electrodes. Thin films were prepared by vacuum thermal evaporation on quartz substrates and crystalline silicon wafers. Pellets and thin films from these compounds were characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive spectroscopy, atomic force microscopy and ellipsometry. The powder and thin films synthesized from these materials show the same intra-molecular bonds shown by infrared spectroscopy results, suggesting that thermal evaporation does not alter these bonds in spite of the thin films being amorphous, in contrast with other bimetallic complexes where material decomposition occurs. The differences in the conductivity values of the prepared films are very small, so they may be attributed to the different metallic ions employed in each case. The tungsten complex exhibits a higher conductivity than the molybdenum and chromium complexes at room temperature. Electrical conductivity values found for thin films are higher than for pellets made of the same molecular materials

Coordination compounds of cobalt and cadmium with isobutyric acid amide

Energy Technology Data Exchange (ETDEWEB)

Tsivadze, A.Yu.; Ivanova, I.S.; Solovkina, O.A. (AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

1983-06-01

Coordination compounds of cobalt and cadmium with isobutyric acid amide (IBAA) of Co(NCS)/sub 2/x(IBAA)/sub 2/(H/sub 2/O)/sub 2/, CoCl/sub 2/(IBAA)/sub 4/, CoI/sub 2/(IBAA)/sub 8/(H/sub 2/O)/sub 2/, CdI/sub 2/(IBAA)/sub 2/ composition have been synthesized and characterized. Their infrared absorption spectra (200-400 cm/sup -1/), electron reflection spectra (200-750 nm) were studied. It is shown that in all compounds there are IBAA molecUles coordinated through an oxygen atom. Thiocyanogroups are coordinated through nitrogen atoms.

A synthetic cannabinoid FDU-NNEI, two 2H-indazole isomers of synthetic cannabinoids AB-CHMINACA and NNEI indazole analog (MN-18), a phenethylamine derivative N-OH-EDMA, and a cathinone derivative dimethoxy-α-PHP, newly identified in illegal products.

Science.gov (United States)

Uchiyama, Nahoko; Shimokawa, Yoshihiko; Kikura-Hanajiri, Ruri; Demizu, Yosuke; Goda, Yukihiro; Hakamatsuka, Takashi

Six new psychoactive substances were identified together with two other substances (compounds 1 - 8 ) in illegal products by our ongoing survey in Japan between January and July 2014. A new synthetic cannabinoid, FDU-NNEI [1-(4-fluorobenzyl)- N -(naphthalen-1-yl)-1 H -indole-3-carboxamide, 2 ], was detected with the newly distributed synthetic cannabinoid FDU-PB-22 ( 1 ). Two 2 H -indazole isomers of synthetic cannabinoids, AB-CHMINACA 2 H -indazole analog ( 3 ) and NNEI 2 H -indazole analog ( 4 ), were newly identified with 1 H -indazoles [AB-CHMINACA and NNEI indazole analog (MN-18)]. In addition, 2-methylpropyl N -(naphthalen-1-yl) carbamate ( 5 ) and isobutyl 1-pentyl-1 H -indazole-3-carboxylate ( 6 ) were detected in illegal products. Compound 6 is considered to be a by-product of the preparation of NNEI indazole analog from compound 5 and 1-pentyl-1 H -indazole. A phenethylamine derivative, N -OH-EDMA [ N -hydroxy-3,4-ethylenedioxy- N -methylamphetamine, 7 ], and a cathinone derivative, dimethoxy-α-PHP (dimethoxy-α-pyrrolidinohexanophenone, 8 ), were newly identified in illegal products. Among them, compounds 1 and 8 have been controlled as designated substances (Shitei-Yakubutsu) under the Pharmaceutical Affairs Law in Japan since August and November 2014, respectively.

Syntheses, structures, molecular and cationic recognitions and catalytic properties of two lanthanide coordination polymers based on a flexible tricarboxylate

Energy Technology Data Exchange (ETDEWEB)

Zhu, Yu; Wang, Yan-Mei; Xu, Ji; Liu, Pan; Weththasinha, H.A.B.M.D.; Wu, Yun-Long; Lu, Xiao-Qing; Xie, Ji-Min, E-mail: xiejm391@sohu.com

2014-11-15

Two lanthanide coordination polymers, namely, ([La(TTTA)(H{sub 2}O){sub 2}]·2H{sub 2}O){sub n} (La-TTTA) and [Nd(TTTA)(H{sub 2}O){sub 2}]·2H{sub 2}O){sub n} (Nd-TTTA) have been hydrothermally synthesized through the reaction of lanthanide ions (La{sup 3+} and Nd{sup 3+}) with the flexible tripodal ligand 2,2′,2″-[1,3,5-triazine-2,4,6-triyltris(thio)]tris-acetic acid (H{sub 3}TTTA). La-TTTA and Nd-TTTA are isostructural and both show three dimensional structures. La-TTTA and Nd-TTTA show good recognition of amine molecules via quenching the luminescent intensities in amines emulsions. They can also recognize Fe{sup 3+}, Cu{sup 2+}, Mg{sup 2+}, Cr{sup 3+} and Co{sup 2+} ions with the quenching the peak around 361 nm when the compounds immersed in ionic solutions. The two compounds act as efficient Lewis acid catalysts for the cyanosilylation of benzaldehyde and derivatives in high yields shortly due to the strong Lewis acidity and the possible open sites of the lanthanide ions. - Graphical abstract: We have synthesized two isostructural 3D compounds based on H{sub 3}TTTA. They are chemical sensor of amine solvents and cations. They have higher yields and TOFs to catalyze cyanosilylation reactions. - Highlights: • The compounds show recognition of amine molecules via quenching luminescent intensities. • The compounds recognize Fe{sup 3+}, Cu{sup 2+}, Mg{sup 2+}, Cr{sup 3+} and Co{sup 2+} ions via quenching the peak around 361 nm. • They act as efficient Lewis acid catalysts for the cyanosilylation reactions in high yields.

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.

Immunoparesis in newly diagnosed Multiple Myeloma patients

DEFF Research Database (Denmark)

Sorrig, Rasmus; Klausen, Tobias W.; Salomo, Morten

2017-01-01

Immunoparesis (hypogammaglobulinemia) is associated to an unfavorable prognosis in newly diagnosed Multiple myeloma (MM) patients. However, this finding has not been validated in an unselected population-based cohort. We analyzed 2558 newly diagnosed MM patients in the Danish Multiple Myeloma...

Substituted piperazines as nootropic agents: 2- or 3-phenyl derivatives structurally related to the cognition-enhancer DM235.

Science.gov (United States)

Guandalini, Luca; Martino, Maria Vittoria; Di Cesare Mannelli, Lorenzo; Bartolucci, Gianluca; Melani, Fabrizio; Malik, Ruchi; Dei, Silvia; Floriddia, Elisa; Manetti, Dina; Orlandi, Francesca; Teodori, Elisabetta; Ghelardini, Carla; Romanelli, Maria Novella

2015-04-15

A series of 2-phenyl- or 3-phenyl piperazines, structurally related to DM235 and DM232, two potent nootropic agents, have been prepared and tested in the mouse passive-avoidance test, to assess their ability to revert scopolamine-induced amnesia. Although the newly synthesized molecules were less potent than the parent compounds, some useful information has been obtained from structure-activity relationships. A small but significant enantioselectivity has been found for the most potent compound 5a. Copyright © 2015 Elsevier Ltd. All rights reserved.

Syntheses and electronic structures of decamethylmetallocenes

International Nuclear Information System (INIS)

Robbins, J.L.

1981-04-01

The synthesis of decamethylmanganocene [(eta-C 5 (CH 3 ) 5 ) 2 Mn or (Me 5 Cp) 2 Mn)] is described. Magnetic susceptibility and electron paramagnetic resonance (EPR) studies show that (Me 5 Cp) 2 Mn is a low-spin, 17-electron compound with an orbitally degenerate, 2 E/sub 2g/ [e/sub 2g/ 3 a/sub 1g/ 2 ] ground state. An x-ray crystallographic study of (Me 5 Cp) 2 Mn shows that it is a monomeric, D/sub 5d/ decamethylmetallocene with metal to ring carbon distances that are about 0.3 A shorter than those determined for high-spin manganocenes. The syntheses of new (Me 5 Cp) 2 M (M = Mg,V,Cr,Co, and Ni) and [(Me 5 Cp) 2 M]PF 6 (M = Cr,Co, and Ni) compounds are described. In addition, a preparative route to a novel, dicationic decamethylmetallocene, [(Me 5 Cp) 2 Ni](PF 6 ) 2 is reported. Infrared, nuclear magnetic resonance, magnetic susceptibility, and/or x-ray crystallographic studies indicate that all the above compounds are D/sub 5d/ or D/sub 5h/ decamethylmetallocenes with low-spin electronic configurations. Cyclic voltammetry studies verify the reversibility and the one-electron nature of the (Me 5 Cp) 2 M → [(Me 5 Cp) 2 M] + (M = Cr,Mn,Fe,Co,Ni), [(Me 5 Cp) 2 Mn] - → (Me 5 Cp) 2 Mn and [(Me 5 Cp) 2 Ni] + → [Me 5 Cp) 2 Ni] 2+ redox reactions. These studies reveal that the neutral decamethylmetallocenes are much more easily oxidized than their metallocene counterparts. This result attests to the electron-donating properties of the ten substituent methyl groups. Proton and carbon-13 NMR data are reported for the diamagnetic Mg(II), Mn(I), Fe(II), Co(III), and Ni(IV) decamethylmetallocenes and for [(Me 5 Cp) 2 V(CO) 2 ] + . The uv-visible absorption spectra of the 15-, 18- and 20- electron decamethylmetallocenes are also reported

In-vehicle VOCs composition of unconditioned, newly produced cars.

Science.gov (United States)

Brodzik, Krzysztof; Faber, Joanna; Łomankiewicz, Damian; Gołda-Kopek, Anna

2014-05-01

The in-vehicle volatile organic compounds (VOCs) concentrations gains the attention of both car producers and users. In the present study, an attempt was made to determine if analysis of air samples collected from an unconditioned car cabin can be used as a quality control measure. The VOCs composition of in-vehicle air was analyzed by means of active sampling on Carbograph 1TD and Tenax TA sorbents, followed by thermal desorption and simultaneous analysis on flame ionization and mass detector (TD-GC/FID-MS). Nine newly produced cars of the same brand and model were chosen for this study. Within these, four of the vehicles were equipped with identical interior materials and five others differed in terms of upholstery and the presence of a sunroof; one car was convertible. The sampling event took place outside of the car assembly plant and the cars tested left the assembly line no later than 24 hr before the sampling took place. More than 250 compounds were present in the samples collected; the identification of more than 160 was confirmed by comparative mass spectra analysis and 80 were confirmed by both comparison with single/multiple compounds standards and mass spectra analysis. In general, aliphatic hydrocarbons represented more than 60% of the total VOCs (TVOC) determined. Depending on the vehicle, the concentration of aromatic hydrocarbons varied from 12% to 27% of total VOCs. The very short period between car production and sampling of the in-vehicle air permits the assumption that the entire TVOC originates from off-gassing of interior materials. The results of this study expand the knowledge of in-vehicle pollution by presenting information about car cabin air quality immediately after car production. Copyright © 2014 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Natural Compounds as Regulators of the Cancer Cell Metabolism

Directory of Open Access Journals (Sweden)

Claudia Cerella

2013-01-01

Full Text Available Even though altered metabolism is an “old” physiological mechanism, only recently its targeting became a therapeutically interesting strategy and by now it is considered an emerging hallmark of cancer. Nevertheless, a very poor number of compounds are under investigation as potential modulators of cell metabolism. Candidate agents should display selectivity of action towards cancer cells without side effects. This ideal favorable profile would perfectly overlap the requisites of new anticancer therapies and chemopreventive strategies as well. Nature represents a still largely unexplored source of bioactive molecules with a therapeutic potential. Many of these compounds have already been characterized for their multiple anticancer activities. Many of them are absorbed with the diet and therefore possess a known profile in terms of tolerability and bioavailability compared to newly synthetized chemical compounds. The discovery of important cross-talks between mediators of the most therapeutically targeted aberrancies in cancer (i.e., cell proliferation, survival, and migration and the metabolic machinery allows to predict the possibility that many anticancer activities ascribed to a number of natural compounds may be due, in part, to their ability of modulating metabolic pathways. In this review, we attempt an overview of what is currently known about the potential of natural compounds as modulators of cancer cell metabolism.

Synthesis of some biologically active 2,4’-bipyridine-5-carbonitriles carrying the 4-hydroxyphenylthio moiety

Directory of Open Access Journals (Sweden)

T. KARABASANAGOUDA

2009-07-01

Full Text Available A series of new 4-aryl-2’-[(4-hydroxyphenylthio]-6oxo-1,6-dihydro-2,4’-bipyridine-5-carbonitriles (3a–k and 6-amino-4aryl-2’-[(4-hydroxyphenylthio]-2,4’-bipyridine-5-carbonitriles (4a–h were synthesized from 4-hydroxythiophenol (1. The reaction of 4-hydroxythiophenol with 4-acetyl-2-chloropyridine yielded 1-{2-[(4-hydroxyphenylthio]pyridin-4-yl}ethanone (2. Further treatment of 2 with ethyl cyanoacetate in the presence of ammonium acetate with various aromatic aldehydes furnished the compounds 3a–k. On the other hand, condensation of 2 with aromatic aldehydes in the presence of alcoholic malononitrile in ammonium acetate gave compounds 4a–h. The structures of the newly synthesized compounds were established on the basis of their elemental analysis, as well as their IR, 1H- and 13C-NMR and mass spectral data. All the title compounds were subjected to in vitro antibacterial testing against two strains and antifungal screening against two fungi. Some of the compounds showed promising activity.

Synthesis of Novel β-Keto-Enol Derivatives Tethered Pyrazole, Pyridine and Furan as New Potential Antifungal and Anti-Breast Cancer Agents

Directory of Open Access Journals (Sweden)

Smaail Radi

2015-11-01

Full Text Available Recently, a new generation of highly promising inhibitors bearing β-keto-enol functionality has emerged. Reported herein is the first synthesis and use of novel designed drugs based on the β-keto-enol group embedded with heterocyclic moieties such as pyrazole, pyridine, and furan, prepared in a one-step procedure by mixed Claisen condensation. All the newly synthesized compounds were characterized by FT-IR, 1H-NMR, 13C-NMR, ESI/LC-MS, elemental analysis, and evaluated for their in vitro antiproliferative activity against breast cancer (MDA-MB241 human cell lines and fungal strains (Fusarium oxysporum f.sp albedinis FAO. Three of the synthesized compounds showed potent activity against fungal strains with IC50 values in the range of 0.055–0.092 µM. The results revealed that these compounds showed better IC50 values while compared with positive controls.

Design and Synthesis of Some New Quinoline Based 1,2,3-Triazoles as Antimicrobial and Antimalarial Agents

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Parthasaradhi Y.

2015-09-01

Full Text Available A series of novel 6-bromo-2-chloro-3-(4-phenyl-[1,2,3]triazol-1-ylmethyl-quinoline and its derivatives (5a-j were synthesized in good yields from the intermediates (6-bromo-2-chloro-quinolin-3-yl-methanol (2, methanesulfonic acid (6-bromo-2-chloroquinolin-3-ylmethyl methanesulfonate (3 and 3-azidomethyl-6-bromo-2-chloro-quinoline (4. The synthetic route leading to the title compounds is commenced from commercially available 6-bromo-2-chloro-quinolin-3-carbaldehyde (1. The chemical structures of the newly synthesized compounds were elucidated by their IR, 1H and 13C NMR, mass spectral data and elemental analysis. Further, all the target compounds were screened for their antimicrobial activity against various microorganisms and antimalarial activity towards P. falciparum. DOI: http://dx.doi.org/10.17807/orbital.v7i3.692 

Preparation and properties of Mg/Al layered double hydroxide-oleate and -stearate intercalation compounds

International Nuclear Information System (INIS)

Inomata, Kazuya; Ogawa, Makoto

2006-01-01

Mg/Al layered double hydroxide-oleate and -stearate intercalation compounds were successfully synthesized by the reconstruction method under hydrothermal conditions from calcined hydrotalcite. The intercalation compounds were characterized by the high structural regularity as evidenced by the sharp and intense X-ray diffraction peaks. The oleate intercalated layered double hydroxide exhibits unique physicochemical properties such as a reversible thermoresponsive change in the basal spacing and swelling in organic solvents such as n-alkanes. (author)

Structure-Function Evaluation of Imidazopyridine Derivatives Selective for δ-Subunit-Containing γ-Aminobutyric Acid Type A (GABAA) Receptors.

Science.gov (United States)

Yakoub, Kirsten; Jung, Sascha; Sattler, Christian; Damerow, Helen; Weber, Judith; Kretzschmann, Annika; Cankaya, Aylin S; Piel, Markus; Rösch, Frank; Haugaard, Anne S; Frølund, Bente; Schirmeister, Tanja; Lüddens, Hartmut

2018-03-08

δ-Selective compounds 1 and 2 (DS1, compound 22; DS2, compound 16) were introduced as functionally selective modulators of δ-containing GABA type A receptors (GABA A R). In our hands, [ 3 H]EBOB-binding experiments with recombinant GABA A R and compound 22 showed no proof of δ-selectivity, although there was a minimally higher preference for the α4β3δ and α6β2/3δ receptors with respect to potency. In order to delineate the structural determinants of δ preferences, we synthesized 25 derivatives of DS1 and DS2, and investigated their structure-activity relationships (SAR). Four of our derivatives showed selectivity for α6β3δ receptors (29, 38, 39, and 41). For all of them, the major factors that distinguished them from compound 22 were variations at the para-positions of their benzamide groups. However, two compounds (29 and 39), when tested in the presence of GABA, revealed effects at several additional GABA A R. The newly synthesized compounds will still serve as useful tools to investigate α6β3δ receptors.

Formal total syntheses of classic natural product target molecules via palladium-catalyzed enantioselective alkylation

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Yiyang Liu

2014-10-01

Full Text Available Pd-catalyzed enantioselective alkylation in conjunction with further synthetic elaboration enables the formal total syntheses of a number of “classic” natural product target molecules. This publication highlights recent methods for setting quaternary and tetrasubstituted tertiary carbon stereocenters to address the synthetic hurdles encountered over many decades across multiple compound classes spanning carbohydrate derivatives, terpenes, and alkaloids. These enantioselective methods will impact both academic and industrial settings, where the synthesis of stereogenic quaternary carbons is a continuing challenge.

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.

Identification of isomers of organometallic compounds

Energy Technology Data Exchange (ETDEWEB)

Mbue, Sona Peter; Cho, Kwang Hwi [Dept. of Bioinformatics and Life Science, School of Systems Biomedical Science, Soongsil University,Seoul (Korea, Republic of)

2015-06-15

The yaChI is a newly suggested chemical naming system. However, yaChI is a derivative of the IUPAC InChI with a modified algorithm that includes additional layers of chemical structure information. Consequently, yaChI string contains more structure details while preserving the original structure file information and can distinctively identify very closely related compounds reducing the chances of ambiguity in chemical compound databases as opposed to the general SMILES, InChI, and InChIKey. This study examines the relative performances of yaChI, SMILES, InChI, and InChIKey in duplication check for isomers. For simplicity, a small data set of 28 organometallic compounds (structural isomers of Rh-containing compounds) subdivided into three major groups (A, B, and C) based on the number and the type of ligands attached to the center atom was used to study the performances of each encoding scheme in describing chemical structures. SMILES, InChI, and InChIKey were generated using Openbabel and RDkit, whereas yaChI strings were generated with in-house program. Strings generated from SMILES, InChI, and InChIKey though different, resulted to only three unique chemical identifiers, with each belonging to one group indicating the presence of only three unique compounds in the study data. However, yaChI results depicted that all structures in each group are indeed unique and differ among themselves as well as those from other groups, mapping each structure with a unique identifier given a total number of 28 unique structures in the study data. This high perception of yaChI probe justifies its accuracy and reliability in duplication check among closely related compounds especially structures exhibiting stereo properties.

Synthesis and Antimicrobial Activity of New Schiff Base Compounds Containing 2-Hydroxy-4-pentadecylbenzaldehyde Moiety

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Gadada Naganagowda

2014-01-01

Full Text Available Various novel Schiff base compounds have been synthesized by reaction of 2-hydroxy-4-pentadecylbenzaldehyde with substituted benzothiophene-2-carboxylic acid hydrazide and different substituted aromatic or heterocyclic amines in the presence of acetic acid in ethanol. The structures of all these compounds were confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR, and mass spectral data and have been screened for antibacterial and antifungal activity.

Two-dimensional inorganic–organic hybrid semiconductors composed of double-layered ZnS and monoamines with aromatic and heterocyclic aliphatic rings: Syntheses, structures, and properties

Energy Technology Data Exchange (ETDEWEB)

Wang, Sujing; Li, Jing, E-mail: jingli@rutgers.edu

2015-04-15

As an addition to the II–VI based inorganic–organic hybrid semiconductor family, five new two-dimensional (2D) double-layered structures have been synthesized employing monoamines with different aromatic or heterocyclic aliphatic rings. Zn{sub 2}S{sub 2}(bza) (1), Zn{sub 2}S{sub 2}(mbza) (2), Zn{sub 2}S{sub 2}(fbza) (3), Zn{sub 2}S{sub 2}(pca) (4), and Zn{sub 2}S{sub 2}(thfa) (5) (bza=benzylamine, mbza=4-methoxybenzylamine, fbza=4-flurobenzylamine, pca=3-picolylamine, and thfa=tetrahydrofurfurylamine) are prepared by solvothermal reactions and characterized by different analytical methods, including powder X-ray diffraction, optical diffuse reflection, thermogravimetric analysis and photoluminescence spectroscopy. The powder X-ray diffraction patterns show that all five compounds adopt 2D double-layered structures. Optical diffuse reflectance spectra of these compounds suggest that they have notably lower band gaps than those of the similar compounds composed of aliphatic alkyl amines. Their photoluminescence properties and thermal stability are also analyzed. - Graphical abstract: Five new members of two-dimensional double-layered 2D-Zn{sub 2}S{sub 2}(L) (L=Ligand) structures employing monoamines with different aromatic or heterocyclic aliphatic rings have been designed, synthesized, and characterized. - Highlights: • A new sub-family of II-VI based hybrid semiconductors are designed, synthesized, and structurally characterized using amines with aromatic or aliphatic cyclic rings. • These compounds have notably lower band gaps than those made of aliphatic alkyl amines, greatly broadening the range of band gaps of this material family. • They emit strongly with systematically tunable emission intensity and energy.

High-Tc Superconductors Based on FeAs Compounds

CERN Document Server

Izyumov, Yuri

2010-01-01

Physical properties and models of electronic structure are analyzed for a new class of high-TC superconductors which belong to iron-based layered compounds. Despite their variable chemical composition and differences in the crystal structure, these compounds possess similar physical characteristics, due to electron carriers in the FeAs layers and the interaction of these carriers with fluctuations of the magnetic order. A tremendous interest towards these materials is explained by the prospects of their practical use. In this monograph, a full picture of the formation of physical properties of these materials, in the context of existing theory models and electron structure studies, is given. The book is aimed at a broad circle of readers: physicists who study electronic properties of the FeAs compounds, chemists who synthesize them and specialists in the field of electronic structure calculations in solids. It is helpful not only to researchers active in the fields of superconductivity and magnetism, but also...

Effect of nonionic compound emulsifiers Tween80 and Span80 on the properties of microencapsulated phase change materials.

Science.gov (United States)

Zhan, Shiping; Zhou, Zhiyi; Wang, Weijing; Zhao, Qicheng; Hou, Weimin

2014-01-01

In this article, the nonionic compound emulsifiers Tween80 and Span80 were used to prepare microcapsules containing phase change materials (microPCMs) with melamine-formaldehyde (MF) shells by in situ polymerization method. The effects of compound emulsifiers Tween80 and Span80 on the structure, morphologies and properties of microPCMs containing paraffin were studied. SEM morphological investigation suggests that a complex of Tween80 and Span80 as emulsifiers are optimal for the fabrication of microPCMs in this study compared to Tween60 or OP-10. The diameter distributions of microPCMs synthesized with different amounts of compound emulsifiers are uniform, whereas compound emulsifiers' amount affect the mean diameter of microPCMs decreasing from 5.34 to 3.05 µm. These microPCMs with the core/shell weight ratio 3/1 have smoother surface and a higher core content of 68.7% than other core/shell ratio. Anti-osmosis measurements indicate that microPCMs have good compactness and stable performance compared to those synthesized by one type of emulsifier.

Generational differences among newly licensed registered nurses.

Science.gov (United States)

Keepnews, David M; Brewer, Carol S; Kovner, Christine T; Shin, Juh Hyun

2010-01-01

Responses of 2369 newly licensed registered nurses from 3 generational cohorts-Baby Boomers, Generation X, and Generation Y-were studied to identify differences in their characteristics, work-related experiences, and attitudes. These responses revealed significant differences among generations in: job satisfaction, organizational commitment, work motivation, work-to-family conflict, family-to-work conflict, distributive justice, promotional opportunities, supervisory support, mentor support, procedural justice, and perceptions of local job opportunities. Health organizations and their leaders need to anticipate intergenerational differences among newly licensed nurses and should provide for supportive working environments that recognize those differences. Orientation and residency programs for newly licensed nurses should be tailored to the varying needs of different generations. Future research should focus on evaluating the effectiveness of orientation and residency programs with regard to different generations so that these programs can be tailored to meet the varying needs of newly licensed nurses at the start of their careers. Copyright 2010 Mosby, Inc. All rights reserved.

Magnetic and photocatalytic studies on Zn1-xMgxFe2O4 nanocolloids synthesized by solvothermal reflux method.

Science.gov (United States)

Manohar, A; Krishnamoorthi, C

2017-12-01

Biocompatible magnetic semiconductor Zn 1-x Mg x Fe 2 O 4 (x=0, 0.1, 0.3, 0.5 & 0.7) nanoparticles of around 10nm diameter were synthesized by solvothermal reflux method. The method produces well separated and narrow size distributed nanoparticles. Crystal structure, morphology, particles surface properties, surfactant quantity, colloidal stability, magnetic properties and photocatalytic properties of the synthesized nanoparticles were studied. Different characterizations confirmed that all compounds were single crystals and superparamagnetic at room temperature. Saturation mass magnetization (M s =57.5emu/g) enhances with substituent Mg 2+ concentration due to promotion of mixed spinel (normal and inverse) structure. Photocatalytic activity of all synthesized magnetic semiconductor nanoparticles were studied through methylene blue degradation. The degradation of 98% methylene blue was observed on 60 min irradiation of light. It is observed that photocatalytic activity slightly enhances with substituent Mg 2+ concentration. The synthesized biocompatible magnetic semiconductor nanoparticles can be utilized as photocatalysts and could also be recycled and separated by applying an external magnetic field. Copyright © 2017 Elsevier B.V. All rights reserved.

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)

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)

Potential anticancer properties of bioactive compounds of Gymnema sylvestre and its biofunctionalized silver nanoparticles.

Science.gov (United States)

Arunachalam, Kantha Deivi; Arun, Lilly Baptista; Annamalai, Sathesh Kumar; Arunachalam, Aarrthy M

2015-01-01

Gymnema sylvestre is an ethno-pharmacologically important medicinal plant used in many polyherbal formulations for its potential health benefits. Silver nanoparticles (SNPs) were biofunctionalized using aqueous leaf extracts of G. sylvestre. The anticancer properties of the bioactive compounds and the biofunctionalized SNPs were compared using the HT29 human adenoma colon cancer cell line. The preliminary phytochemical screening for bioactive compounds from aqueous extracts revealed the presence of alkaloids, triterpenes, flavonoids, steroids, and saponins. Biofunctionalized SNPs were synthesized using silver nitrate and characterized by ultraviolet-visible spectroscopy, scanning electron microscopy, energy-dispersive X-ray analysis, Fourier transform infrared spectroscopy, and X-ray diffraction for size and shape. The characterized biofunctionalized G. sylvestre were tested for its in vitro anticancer activity against HT29 human colon adenocarcinoma cells. The biofunctionlized G. sylvestre SNPs showed the surface plasmon resonance band at 430 nm. The scanning electron microscopy images showed the presence of spherical nanoparticles of various sizes, which were further determined using the Scherrer equation. In vitro cytotoxic activity of the biofunctionalized green-synthesized SNPs (GSNPs) indicated that the sensitivity of HT29 human colon adenocarcinoma cells for cytotoxic drugs is higher than that of Vero cell line for the same cytotoxic agents and also higher than the bioactive compound of the aqueous extract. Our results show that the anticancer properties of the bioactive compounds of G. sylvestre can be enhanced through biofunctionalizing the SNPs using the bioactive compounds present in the plant extract without compromising their medicinal properties.

A Compound Herbal Preparation (CHP) in the Treatment of Children with ADHD: A Randomized Controlled Trial

Science.gov (United States)

Katz, M.; Adar Levine, A.; Kol-Degani, H.; Kav-Venaki, L.

2010-01-01

Objective: Evaluation of the efficacy of a patented, compound herbal preparation (CHP) in improving attention, cognition, and impulse control in children with ADHD. Method: Design: A randomized, double-blind, placebo-controlled trial. Setting: University-affiliated tertiary medical center. Participants: 120 children newly diagnosed with ADHD,…

OPTIMIZATION OF TRANSESTERIFICATION PARAMETERS FOR OPTIMAL BIODIESEL YIELD FROM CRUDE JATROPHA OIL USING A NEWLY SYNTHESIZED SEASHELL CATALYST

Directory of Open Access Journals (Sweden)

A. N. R. REDDY

2017-10-01

Full Text Available Heterogeneous catalysts are promising catalysts for optimal biodiesel yield from transesterification of vegetable oils. In this work calcium oxide (CaO heterogeneous catalyst was synthesized from Polymedosa erosa seashell. Calcination was carried out at 900ºC for 2h and characterized using Fourier transform infrared spectroscopy. Catalytic efficiency of CaO was testified in transesterification of crude Jatropha oil (CJO. A response surface methodology (RSM based on five-level-two-factor central composite design (CCD was employed to optimize two critical transesterification parameters catalyst concentration to pretreated CJO (0.01-0.03 w/w % and the reaction time (90 min - 150 min. A JB yield of 96.48% was estimated at 0.023 w/w% catalyst and 125.76 min reaction using response optimizer. The legitimacy of the predicted model was verified through the experiments. The validation experiments conformed a yield of JB 96.4%±0.01% as optimal at 0.023 w/w% catalyst to pretreated oil ratio and 126 min reaction time.

Syntheses, structures, and characterizations of a new second-order nonlinear optical material: Pb2(SeO3)(NO3)2

International Nuclear Information System (INIS)

Meng, Chang-Yu; Geng, Lei; Chen, Wen-Ting; Wei, Ming-Fang; Dai, Kai; Lu, Hong-Yan; Cheng, Wen-Dan

2015-01-01

Highlights: • The new polar compound Pb 2 (SeO 3 )(NO 3 ) 2 was synthesized by the conventional hydrothermal method. • The compound was characterized structurally and optically, showing SHG efficiency about 2 times that of KDP. • The electronic band structures and density of states are investigated theoretically. - Abstract: A new polar compound Pb 2 (SeO 3 )(NO 3 ) 2 was synthesized by the conventional facile hydrothermal method at middle temperature 200 °C and characterized by X-ray single crystal diffraction, powder diffraction, UV–vis−NIR optical absorption spectrum and infrared spectrum. It crystallizes in the orthorhombic system, space group Pmn2 1 with a = 5.4669(3) Å, b = 10.3277(6) Å, c = 7.2610(4) Å, V = 409.96(4) Å 3 . The compound features a 2D [Pb 2 (SeO 3 )] 2 ∞ architectures composed of SeO 3 and PbO 2 /PbO 3 units. Two unequivalent N(1)O 3 and N(2)O 3 units is inserted between adjacent [Pb 2 (SeO 3 )] 2 ∞ layers to stabilize the whole crystal structure. Second-harmonic generation (SHG) efficiency has been evaluated for powder Pb 2 (SeO 3 )(NO 3 ) 2 samples, showing about 2 times that of KDP reference. Moreover, the compound can achieve I-type phase-matching according to measurements by the Kurtz–Perry method. Theoretical investigations based on the first-principle DFT method were also performed to gain further insights into the crystal structure and optical properties relationship. The calculated band gap value of 3.38 eV is consistent with the optical reflectance measurements value of 3.76 eV

The syntheses of radiolabelled Org 5222 and its main metabolite Org 30526

International Nuclear Information System (INIS)

Vader, Jan; Kaspersen, Frans; Sperling, Eric; Schlachter, Irene; Terpstra, Annie; Hilberink, Peter; Wagenaars, Gerard

1994-01-01

The syntheses of trans-5-chloro-2,3,3a-12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7] oxepino[4 ,5-c]pyrrole (Org 5222), a potential antipsychotic compound, labelled with 3 H, 14 C and 36 Cl and trans-5-chloro-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]-oxepino[4, 5-c] pyrrole (Org 30526) labelled with 3 H are described. 3 H-labelled Org 5222 of low specific activity was prepared by a base catalyzed exchange with tritiated water of an amide precursor, 3 H-labelled Org 5222 with a high specific activity by a catalytic reductive dehalogenation. 3 H-labelled Org 30526 was prepared both by demethylation of 3 H-Org 5222 and by catalytic reductive iodination of 11-iodo-Org 30526. 14 C-labelled Org 5222 was synthesized in 6 steps using 14 C-sarcosine as starting material. 36 Cl-labelled Org 5222 was prepared by diazotation reaction in the presence of H 36 Cl. (author)

Development of potent ALK inhibitor and its molecular inhibitory mechanism against NSCLC harboring EML4-ALK proteins

Energy Technology Data Exchange (ETDEWEB)

Kang, Chung Hyo [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); College of Pharmacy, Chungnam National University, Daejeon (Korea, Republic of); Yun, Jeong In [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Lee, Kwangho [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Medicinal & Pharmaceutical Chemistry, Korea University of Science and Technology, Daejeon 305-350 (Korea, Republic of); Lee, Chong Ock; Lee, Heung Kyoung [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Yun, Chang-Soo; Hwang, Jong Yeon; Cho, Sung Yun; Jung, Heejung; Kim, Pilho [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Medicinal & Pharmaceutical Chemistry, Korea University of Science and Technology, Daejeon 305-350 (Korea, Republic of); Ha, Jae Du; Jeon, Jeong Hee; Choi, Sang Un [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Jeong, Hye Gwang [College of Pharmacy, Chungnam National University, Daejeon (Korea, Republic of); Kim, Hyoung Rae, E-mail: hyungrk@krict.re.kr [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Park, Chi Hoon, E-mail: chpark@krict.re.kr [Bio & Drug Discovery Division, Korea Research Institute of Chemical Technology, PO Box 107, Daejeon 305-600 (Korea, Republic of); Medicinal & Pharmaceutical Chemistry, Korea University of Science and Technology, Daejeon 305-350 (Korea, Republic of)

2015-08-28

Here, we show the newly synthesized and potent ALK inhibitor having similar scaffold to KRCA-0008, which was reported previously, and its molecular mechanism against cancer cells harboring EML4-ALK fusion protein. Through ALK wild type enzyme assay, we selected two compounds, KRCA-0080 and KRCA-0087, which have trifluoromethyl instead of chloride in R2 position. We characterized these newly synthesized compounds by in vitro and in vivo assays. Enzyme assay shows that KRCA-0080 is more potent against various ALK mutants, including L1196M, G1202R, T1151-L1152insT, and C1156Y, which are seen in crizotinib-resistant patients, than KRCA-0008 is. Cell based assays demonstrate our compounds downregulate the cellular signaling, such as Akt and Erk, by suppressing ALK activity to inhibit the proliferation of the cells harboring EML4-ALK. Interestingly, our compounds induced strong G1/S arrest in H3122 cells leading to the apoptosis, which is proved by PARP-1 cleavage. In vivo H3122 xenograft assay, we found that KRCA-0080 shows significant reduction in tumor size compared to crizotinib and KRCA-0008 by 15–20%. Conclusively, we report a potent ALK inhibitor which shows significant in vivo efficacy as well as excellent inhibitory activity against various ALK mutants. - Highlights: • We synthesized KRCA-0008 derivatives having trifluoromethyl instead of chloride. • KRCA-0080 shows superior activity against several ALK mutants to KRCA-0008. • Cellular assays show our ALK inhibitors suppress only EML4-ALK positive cells. • Our ALK inhibitors induce G1/S arrest to lead apoptosis in H3122 cells. • KRCA-0080 has superior in vivo efficacy to crizotinib and KRCA-0008 by 15–20%.

Construction of New Coordination Polymers from 4’-(2,4-disulfophenyl)- 3,2’:6’3”-terpyridine: Polymorphism, pH-dependent syntheses, structures, and properties

Energy Technology Data Exchange (ETDEWEB)

Zhang, Li; Li, Chao-Jie; He, Jia-En; Chen, Yin-Yu [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Zheng, Sheng-Run, E-mail: zhengsr@scnu.edu.cn [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Guangzhou, 510006 (China); Fan, Jun [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Zhang, Wei-Guang, E-mail: wgzhang@scnu.edu.cn [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Guangzhou, 510006 (China)

2016-01-15

Nine new coordination compounds, namely, [Co(HDSPTP){sub 2}(H{sub 2}O){sub 4}]·4H{sub 2}O (H{sub 2}DSPTP=4’-(2,4-disulfophenyl)-3,2’:6’3”-terpyridine, 1 and 2), {[Ni(DSPTP)(H_2O)_4]·3H_2O}{sub n} (3), {[Cu(HDSPTP)_2(H_2O)_3]·8H_2O}{sub n} (4), {[Cu(HDSPTP)_2(H_2O)_3]·6H_2O}{sub n} (5), {[Cu(DSPTP)(H_2O)_2]·H_2O}{sub n} (6), {[Zn(DSPTP)(H_2O)_2]·2H_2O}{sub n} (7), {[Cd(DSPTP)(H_2O)_2]·2H_2O}{sub n} (8), and [Ag{sub 2}(DSPTP)(H{sub 2}O)]{sub n} (9), were constructed based on a new ligand containing both terpyridyl and sulfo groups. The reactions of H{sub 2}DSPTP with Co(NO{sub 3}){sub 2}.6H{sub 2}O resulted in two mononuclear complexes (compounds 1 and 2). They are polymorphisms that display different hydrogen bonding networks. They are selectively synthesized by altering the added alkalis. The reaction of H{sub 2}DSPTP with Ni(NO{sub 3}){sub 2}·6H{sub 2}O resulted in a 1D “S-shaped” coordination chain (compound 3). The reactions of Cu(II) with H{sub 2}DSPTP at different pH value resulted in the following three compounds: two kinds of 1D chains obtained at pH 3.0 and 4.0 for compounds 4 and 5, respectively, and a 3D framework based on binuclear ring units with 4-connected sra topology (Compound 6). The reactions of H{sub 2}DSPTP with ds-block ions resulted in the following three compounds: a Zn(II) (compound 7) and a Cd(II) (compound 8) 3D frameworks with structures similar to that in compound 6, and a 3D framework based on tetranuclear Ag(I) SBUs with binodal (4,8)-connected flu type 3D framework topology. The structural diversity is mainly attributed to the rich coordination modes (from monodentate to µ{sub 7}-mode) and conformations (cis–cis and cis–trans) of HDSPTP{sup −}/DSPTP{sup 2−} ligands and the metal center and can be controllable synthesized by altering the alkalis, and pH value. Thermal stability of all compounds was performed, and the thermal behaviors of compounds 6 and 8 were further explored by PXRD. Compound 6 exhibits

Taste-active compounds in a traditional Italian food: 'lampascioni'.

Science.gov (United States)

Borgonovo, Gigliola; Caimi, Sara; Morini, Gabriella; Scaglioni, Leonardo; Bassoli, Angela

2008-06-01

Nature is a rich source of taste-active compounds, in particular of plant origin, many of which have unusual tastes. Many of these are found in traditional food, where spontaneous plants are used as ingredients. Some taste-active compounds were identified in the bulbs of Muscari comosum, a spontaneous plant belonging to the family of the Liliaceae, very common in the Mediterranean area, and used in traditional gastronomy (called 'lampascioni' in South Italy). The bulbs were extracted with a series of solvents of different polarity. The different fractions were submitted to a preliminary sensory evaluation, and the most interesting ones, characterized by a strong bitter taste and some chemestetic properties, were submitted to further purification and structural analysis. From the ethereal extract, several 3-benzyl-4-chromanones and one stilbene derivative were isolated. Pure compounds were examined for their taste activity by means of sensory evaluation, and proved to be responsible for the characteristic taste of this food. Some of these compounds have been synthesized de novo to confirm their structure.

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)

Water linked 3D coordination polymers: Syntheses, structures and applications

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Singh, Suryabhan; Bhim, Anupam

2016-12-01

Three new coordination polymers (CPs) based on Cd and Pb, [Cd(OBA)(μ-H2O)(H2O)]n1, [Pb(OBA)(μ-H2O)]n2 [where OBA=4,4'-Oxybis(benzoate)] and [Pb(SDBA)(H2O)]n.1/4DMF 3 (SDBA=4,4'-Sulfonyldibenzoate), have been synthesized and characterized. The single crystal structural studies reveal that CPs 1 and 2 have three dimensional structure. A water molecule bridges two metal centres which appears to the responsible for the dimensionality increase from 2D to 3D. Compound 3 has a supramolecular 3D structure involving water molecule and hydrogen bonds. A structural transformation is observed when 3 was heated at 100 °C or kept in methanol, forming [Pb(SDBA)]n4. Compound 4 is used as supporting matrix for palladium nanoparticles, PdNPs@4. The PdNPs@4 exhibits good catalytic activity toward the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in the presence of NaBH4 at room temperature. Luminescence studies revealed that all CPs could be an effective sensor for nitroaromatic explosives.

Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

International Nuclear Information System (INIS)

Qian, Cheng; Kong, Fang; Mao, Jiang-Gao

2016-01-01

A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy) 2 V 2 O 4 (SeO 3 ) 2 (1), Cu(2,2-bipy)V 2 O 4 (SeO 3 ) 2 ·0.5H 2 O (2) and Cu 2 (2,2-bipy) 2 V 5 O 12 (SeO 3 ) 2 (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy) 2 V 2 O 4 (SeO 3 ) 2 } 2 dimeric cluster composed of two {Ni(2,2-bipy) 2 } 2+ moieties connected by the {V 4 O 8 (SeO 3 ) 4 } 4- cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V 2 O 4 (SeO 3 ) 2 } n chain in which the {Cu 2 (2,2-bipy) 2 } 4+ moieties are bridged by the {V 4 O 8 (SeO 3 ) 4 } 4− clusters. Compound 3 displays a 2D structure consisted of mixed valence vanadium selenites layers {V IV V V 4 Se IV 2 O 18 } n 4− and {Cu(2,2-bipy)} 2+ complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V 4 O 8 (SeO 3 ) 4 } 4− cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties. - Graphical abstract: We got three new vanadium selenites with organically linked copper/nickel complex, namely, Ni(2,2-bipy) 2 V 2 O 4 (SeO 3 ) 2 (1), Cu(2,2-bipy)V 2 O 4 (SeO 3 ) 2 ·0.5H 2 O (2) and Cu 2 (2,2-bipy) 2 V 5 O 12 (SeO 3 ) 2 (3) by hydrothermally syntheses. They display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. Display Omitted - Highlights: • Three new compounds display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. • The Tetranuclear {V 4 O 8 (SeO 3 ) 4 } 4− cluster and the vanadate {V 5 O 17 } n 2D layer are observed firstly. • Optical Properties and Magnetic Properties of three compounds are reported.

Thermal behaviour of nicotinic acid, sodium nicotinate and its compounds with some bivalent transition metal ions

Energy Technology Data Exchange (ETDEWEB)

Nascimento, A.L.C.S. do; Caires, F.J., E-mail: caires.flavio@yahoo.com.br; Gomes, D.J.C.; Gigante, A.C.; Ionashiro, M.

2014-01-10

Graphical abstract: - Highlights: • The transition metal ion nicotinates were synthesized. • The TG–DTA curves provided previously unreported information about thermal behaviour. • The gaseous products released were detected by TG–DSC coupled to FTIR. - Abstract: Solid-state M(L){sub 2}·nH{sub 2}O compounds, where M stands for bivalent transition metals (Mn, Fe, Co, Ni, Cu and Zn), L is nicotinate and n = 0–4.5, have been synthesized. Characterization and thermal behaviour of these compounds were investigated employing elemental analysis based on the mass losses observed in the TG–DTA curves, complexometry, X-ray diffractometry, infrared spectroscopy (FTIR), simultaneous thermogravimetric and differential thermal analysis (TG–DTA) and TG–DSC coupled to FTIR. The thermal behaviour of nicotinic acid and its sodium salt was also investigated. For the hydrated transition metal compounds, the dehydration and thermal decomposition of the anhydrous compounds occur in a single step. For the sodium nicotinate, the final residue up to 765 °C is sodium carbonate and for the transition metal nicotinates, the final residues are Mn{sub 3}O{sub 4}, Fe{sub 2}O{sub 3}, Co{sub 3}O{sub 4}, NiO, CuO and ZnO. The results also provided information concerning the thermal stability, thermal decomposition and identification of the gaseous products evolved during the thermal decomposition of the compounds.

Thermal behaviour of nicotinic acid, sodium nicotinate and its compounds with some bivalent transition metal ions

International Nuclear Information System (INIS)

Nascimento, A.L.C.S. do; Caires, F.J.; Gomes, D.J.C.; Gigante, A.C.; Ionashiro, M.

2014-01-01

Graphical abstract: - Highlights: • The transition metal ion nicotinates were synthesized. • The TG–DTA curves provided previously unreported information about thermal behaviour. • The gaseous products released were detected by TG–DSC coupled to FTIR. - Abstract: Solid-state M(L) 2 ·nH 2 O compounds, where M stands for bivalent transition metals (Mn, Fe, Co, Ni, Cu and Zn), L is nicotinate and n = 0–4.5, have been synthesized. Characterization and thermal behaviour of these compounds were investigated employing elemental analysis based on the mass losses observed in the TG–DTA curves, complexometry, X-ray diffractometry, infrared spectroscopy (FTIR), simultaneous thermogravimetric and differential thermal analysis (TG–DTA) and TG–DSC coupled to FTIR. The thermal behaviour of nicotinic acid and its sodium salt was also investigated. For the hydrated transition metal compounds, the dehydration and thermal decomposition of the anhydrous compounds occur in a single step. For the sodium nicotinate, the final residue up to 765 °C is sodium carbonate and for the transition metal nicotinates, the final residues are Mn 3 O 4 , Fe 2 O 3 , Co 3 O 4 , NiO, CuO and ZnO. The results also provided information concerning the thermal stability, thermal decomposition and identification of the gaseous products evolved during the thermal decomposition of the compounds

ynthesis and Characterization of 1-Aryl-5-hepta-O-acetyl-β-D-maltosyl-2-S-benzyl-2,4-isodithiobiurets

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R. D. Ghuge

2012-01-01

Full Text Available The facile synthesis of 1-aryl-5-hepta-o-acetyl-β-D-maltosyl-2-S-benzyl-2,4-isodithiobiurets (IIIa-g has been achieved by the interaction of 1-hepta-O-acetyl-β–D-maltosyl isothiocyanate (I with various1-aryl-S-benzyl isothiocarbamides (IIa-g. All the newly synthesized N-maltosylated compounds characterized by elemental analysis, IR, NMR and Mass spectral studies.

Establishment probability in newly founded populations

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Gusset Markus

2012-06-01

Full Text Available Abstract Background Establishment success in newly founded populations relies on reaching the established phase, which is defined by characteristic fluctuations of the population’s state variables. Stochastic population models can be used to quantify the establishment probability of newly founded populations; however, so far no simple but robust method for doing so existed. To determine a critical initial number of individuals that need to be released to reach the established phase, we used a novel application of the “Wissel plot”, where –ln(1 – P0(t is plotted against time t. This plot is based on the equation P0t=1–c1e–ω1t, which relates the probability of extinction by time t, P0(t, to two constants: c1 describes the probability of a newly founded population to reach the established phase, whereas ω1 describes the population’s probability of extinction per short time interval once established. Results For illustration, we applied the method to a previously developed stochastic population model of the endangered African wild dog (Lycaon pictus. A newly founded population reaches the established phase if the intercept of the (extrapolated linear parts of the “Wissel plot” with the y-axis, which is –ln(c1, is negative. For wild dogs in our model, this is the case if a critical initial number of four packs, consisting of eight individuals each, are released. Conclusions The method we present to quantify the establishment probability of newly founded populations is generic and inferences thus are transferable to other systems across the field of conservation biology. In contrast to other methods, our approach disaggregates the components of a population’s viability by distinguishing establishment from persistence.

Design, synthesis and pharmacological evaluation of some novel derivatives of 1-{[3-(furan-2-yl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazine

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Jagdish Kumar

2017-01-01

Full Text Available A novel series of 1-{[3-(furan-2-yl-5-substituted phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazine, compounds 3a–l have been synthesized. The synthetic work was carried out beginning from 2-acetylfuran through Claisen Schmidt condensation with different types of aromatic aldehyde, affording 1-(furan-2-yl-3-substitutedphenylprop-2-en-1-ones which on cyclization with hydroxylamine hydrochloride resulted in 3-(furan-2-yl-5-substitutedphenyl-4,5-dihydro-1,2-oxazole formation. The isoxazolines were subjected to Mannich’s reaction in the presence of N-methyl piperazine to produce the desired product. The chemical structures of the compounds were proved by IR, 1H NMR, 13C-NMR and Mass spectrometric data. The antidepressant activities of the compounds were investigated by Porsolt’s behavioral despair (forced swimming test on albino mice. Moreover, the antianxiety activity of the newly synthesized compounds was investigated by the plus maze method. Compounds 3a and 3k reduced the duration of immobility times of 152.00–152.33% at 10 mg/kg dose level and compounds 3a and 3k have also shown significant antianxiety activity.

Physicochemical characterization of silver nanoparticles synthesize using Aloe Vera (Aloe barbadensis)

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Kuponiyi, Abiola; Kassama, Lamin; Kukhtareva, Tatiana

2014-08-01

Production of silver nanoparticles (AgNPs) using different biological methods is gaining recognition due to their multiple applications. Although, several physical and chemical methods have been used for the synthesis and stabilizing of AgNPs, yet, a green chemistry method is preferable because it is cost effective and environmentally friendly. The synthesis was done using Aloe Vera (AV) extract because it has chemical compounds such as "Antrokinon" that are known for its antibacterial, antivirus and anticancer properties. We hypothesize that AV extract can produce a stable nanoparticles within the 100 nm range and be biologically active. The biological compounds were extracted from AV skin with water and ethanol which was used as the reduction agent for the synthesis of nanoparticles. The biological extract and AgNO3 were blended and heated to synthesize AgNPs. The reaction process was monitored using UV-Visible spectroscopy. Fourier Transfer Infrared spectroscopy (FTIR) was used for the characterization of biological compounds and their substituent groups before and after the reaction process. Dynamic Light scattering (DLS) method was used to characterize particle size of AgNPs and their biomolecular stability. Results showed that biological compounds such as aliphatic amines, alkenes (=C-H), alkanes (C-H), alcohol (O-H) and unsaturated esters(C-O), which has an average particle size of 109 and 215.8 nm and polydispersity index of 0.451 and 0.375 for ethanol and water extract, respectively. According to TEM measurements the size of AgNPs are in the range 5-20 nm The results suggested that ethanol derived AgNPs contained higher yield of organic compounds, thus has better solubility power than water. Ag NPs can be used to control salmonella in poultry industry.

Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series

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Robert D. Long

2010-04-01

Full Text Available Several N-alkyl and N,N-dialkylaminomethanesulfonic acids were synthesized (as zwitterions and/or sodium salts to be tested for utility as biological buffers at lower pH levels than existing Good buffer compounds (aminoalkanesulfonates with a minimum of two carbons between amine and sulfonic acid groups as originally described by Norman Good, and in common use as biological buffers. Our hypothesis was that a shorter carbon chain (one carbon between the amino and sulfonic acid groups should lower the ammonium ion pKa values. The alkylaminomethanesulfonate compounds were synthesized in aqueous solution by reaction of primary or secondary amines with formaldehyde/sodium hydrogensulfite addition compound. The pKa values of the ammonium ions of this series of compounds (compared to existing Good buffers was found to correlate well with the length of the carbon chain between the amino and sulfonate moeties, with a significant decrease in amine basicity in the aminomethanesulfonate compounds (pKa decrease of 2 units or more compared to existing Good buffers. An exception was found for the 2-hydroxypiperazine series which shows only a small pKa decrease, probably due to the site of protonation in this compound (as confirmed by X-ray crystal structure. X-ray crystallographic structures of two members of the series are reported. Several of these compounds have pKa values that would indicate potential utility for buffering at pH levels below the normal physiological range (pKa values in the range of 3 to 6 without aqueous solubility problems – a range that is problematic for currently available Good buffers. Unfortunately, the alkylaminomethanesulfonates were found to degrade (with loss of their buffering ability at pH levels below the pKa value and were unstable at elevated temperature (as when autoclaving – thus limiting their utility.

Synthesis and characterization of an energetic compound Cu(Mtta)2(NO3)2 and effect on thermal decomposition of ammonium perchlorate

International Nuclear Information System (INIS)

Yang, Qi; Chen, Sanping; Xie, Gang; Gao, Shengli

2011-01-01

Highlights: ► A new energetic compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized and structural characterized. ► Sensitivity tests reveal that the compound is insensitive to mechanical stimuli. ► Cu(Mtta) 2 (NO 3 ) 2 accelerates the decomposition of Ammonium perchlorate (AP), which is the key component of composite solid propellant. - Abstract: An energetic coordination compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized by using 1-methyltetrazole (Mtta) as ligand and its structure has been characterized by X-ray single crystal diffraction. The central copper (II) cation was coordinated by four O atoms from two Mtta ligands and two N atoms from two NO 3 − anions to form a six-coordinated and distorted octahedral structure. 2D superamolecular layer structure was formed by the extensive intermolecular hydrogen bonds between Mtta ligands and NO 3 − anions. Thermal decomposition process of the compound was predicted based on DSC and TG-DTG analyses results. The kinetic parameters of the first exothermic process of the compound were studied by the Kissinger's and Ozawa–Doyle's methods. Sensitivity tests revealed that the compound was insensitive to mechanical stimuli. In addition, compound was explored as additive to promote the thermal decomposition of ammonium perchlorate (AP) by differential scanning calorimetry.

Very large virtual compound spaces: construction, storage and utility in drug discovery.

Science.gov (United States)

Peng, Zhengwei

2013-09-01

Recent activities in the construction, storage and exploration of very large virtual compound spaces are reviewed by this report. As expected, the systematic exploration of compound spaces at the highest resolution (individual atoms and bonds) is intrinsically intractable. By contrast, by staying within a finite number of reactions and a finite number of reactants or fragments, several virtual compound spaces have been constructed in a combinatorial fashion with sizes ranging from 10(11)11 to 10(20)20 compounds. Multiple search methods have been developed to perform searches (e.g. similarity, exact and substructure) into those compound spaces without the need for full enumeration. The up-front investment spent on synthetic feasibility during the construction of some of those virtual compound spaces enables a wider adoption by medicinal chemists to design and synthesize important compounds for drug discovery. Recent activities in the area of exploring virtual compound spaces via the evolutionary approach based on Genetic Algorithm also suggests a positive shift of focus from method development to workflow, integration and ease of use, all of which are required for this approach to be widely adopted by medicinal chemists.

Syntheses, structures and properties of four 3D microporous lanthanide coordination polymers based on 3,5-pyrazoledicarboxylate and oxalate ligands

International Nuclear Information System (INIS)

Song, Juan; Wang, Ji-Jiang; Hu, Huai-Ming; Wu, Qing-Ran; Xie, Juan; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin

2014-01-01

Four three-dimensional lanthanide coordination polymers with reversible structural interconversions, [Ln 2 (Hpdc) 2 (C 2 O 4 )(H 2 O) 4 ] n ·2nH 2 O [Ln=Sm (1), Eu (2), Tb (3) and Dy (4)], have been synthesized by hydrothermal reactions of lanthanide nitrates with 3,5-pyrazoledicarboxylic (H 3 pdc) and oxalic acids. It is noteworthy that there is an in situ reaction in 1, in which H 3 pdc was decomposed into (ox) 2− with Cu(II)–Sm(III) synergistic effect under hydrothermal conditions. These compounds are isostructural and crystallized in the monoclinic P2 1 /c space group. The Ln(III) ions are eight-coordinated with dodecahedron coordination geometry. These polyhedra are linked by oxalate groups to form 1D zigzag chain, which are further connected by 3,5-pyrazoledicarboxylate to extend similar 3D frameworks with channels along c-axis in 1–4. These coordination polymers display the characteristic emission bands of the Ln(III) ions in the solid state and possess good thermal stabilities. - Graphical abstract: Four 3D microporous lanthanide coordination polymers with reversible structural interconversion have been synthesized. They exhibit characteristic emission bands of the lanthanide ions and possess great thermal stability. - Highlights: • Four lanthanide coordination polymers have been hydrothermal synthesized. • There is an in situ reaction in 1 in which H 3 pdc was decomposed into (ox) 2− with the Cu(II)–Sm(III) synergistic effect under hydrothermal conditions. • TGA and XRD studies reveal that upon hydration–dehydration, compounds 1–4 undergo a reversible structural interconversion process through a cooling-heating cycle. • Compounds 1–4 exhibit characteristic lanthanide-centered luminescence

Abstracts of the papers presented at the workshop 'synthesis and application of radioactively labelled organic compounds'

International Nuclear Information System (INIS)

1988-10-01

The abstracts of the 12 papers read at the Rossendorf workshop comprise syntheses and radioactive labelling of organic compounds such as herbicides, steroids, peptides and others and their application as tracers, above all in kinetic studies

Synthesis of morpholine derivatives and Bunte's salt as compounds of potential radioprotective activity

Energy Technology Data Exchange (ETDEWEB)

Strzelczyk, M.; Kucharski, A. (Wojskowa Akademia Medyczna, Lodz (Poland))

1980-01-01

The purpose of the present study was to obtain several compounds possessing radioprotective activity. The syntheses yielded seven undescribed compounds i.e.: benzyl ester of the N-morpholinecarbathionothioglicol acid, ester bis S-(morpholine-4-thiocarbonyl)-2-thioethyl, morpholine salt of the N-morpholinecarbothionothiolic acid, sodium and potassium salt of S-morpholine-4-carbonyl, methylthiosulfate, sodium and potassium salt of beta-hydroxyethyl thiosulfate. Moreover, with the aid of other methods following compounds were synthetized: beta-S-(morpholine-4-thiocarbonyl) ethyl thiopropioniane, amide of the S-(morpholine-4-thiocarbonyl)-thioglicol acid, acid S-(morpholine-4-thiocarbonyl)-thioglicol acid, sodium salt of the S-(morpholine-4-thiocarbonyl)-thioglicol acid. The structure of these compounds was confirmed using elementary and spectral analysis.

Extracellular polymer substance synthesized by a halophilic bacterium Chromohalobacter canadensis 28.

Science.gov (United States)

Radchenkova, Nadja; Boyadzhieva, Ivanka; Atanasova, Nikolina; Poli, Annarita; Finore, Ilaria; Di Donato, Paola; Nicolaus, Barbara; Panchev, Ivan; Kuncheva, Margarita; Kambourova, Margarita

2018-04-03

Halophilic microorganisms are producers of a lot of new compounds whose properties suggest promising perspectives for their biotechnological exploration. Moderate halophilic bacterium Chromohalobacter canadensis 28 was isolated from Pomorie salterns as an extracellular polymer substance (EP) producer. The best carbon source for extracellular polymer production was found to be lactose, a sugar received as a by-product from the dairy industry. After optimization of the culture medium and physicochemical conditions for cultivation, polymer biosynthesis increased more than 2-fold. The highest level of extracellular polymer synthesis by C. canadensis 28 was observed in an unusually high NaCl concentration (15% w/v). Chemical analysis of the purified polymer revealed the presence of an exopolysaccharide (EPS) fraction (14.3% w/w) and protein fraction (72% w/w). HPLC analysis of the protein fraction showed the main presence of polyglutamic acid (PGA) (75.7% w/w). EPS fraction analysis revealed the following sugar composition (% w/w): glucosamine 36.7, glucose 32.3, rhamnose 25.4, xylose 1.7, and not identified sugar 3.9. The hydrogel formed by PGA and EPS fractions showed high swelling behavior, very good emulsifying and stabilizing properties, and good foaming ability. This is the first report for halophilic bacterium able to synthesize a polymer containing PGA fraction. The synthesized biopolymer shows an extremely high hydrophilicity, due to the simultaneous presence of PGA and EPS. The analysis of its functional properties and the presence of glucosamine in the highest proportion in EPS fraction clearly determine the potential of EP synthesized by C. canadensis 28 for application in the cosmetics industry.

Organic compounds preparation with 14 C

International Nuclear Information System (INIS)

Shirvani, Gholam Hossein.

1996-09-01

Active urea is a basic reagent for the synthesis of active uric-8- 14 C acid. In our manner, activated Barium carbonate with specified activity was placed in a special furnace with ability of passing gases. Then, ammonia gas was passed through it at about 850 Degree C to obtain Barium Cyanamide. Reaction of the produced compound with CO 2 , and then acidification of the mixture, gave activated urea. Condensation of the urea with Ethylcyanoacetate, produce 6-Aminouracil which upon nitrosation, reduction and then condensation with urea, the desired Uric-8- 14 C acid was synthesized. (author). 148 refs.,

A simple, convenient, and one pot synthetic route for the preparation of 1,3,5-thiadiazines-2-thione heterocyclic compounds and their antifungal activity

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Sohail Saeed

2015-12-01

Full Text Available A series of new heterocyclic 1,3,5-thiadiazines-2-thione with aroyl/aryl substituents (3a-c were synthesized by reacting isothiocyanates with N- (propan-2-ylpropan-2- amine in the presence of tetrabutylammonium bromide as phase transfer catalyst. The structures of these novel compounds were characterized by IR, mass spectrometry, and elemental analysis. The crystal structures were determined from single-crystal X-ray diffraction data. The synthesized compounds were tested in vitro against Fusarium solani, A. fumigatus, and Aspergillus flavus using standard drugs.

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

Science.gov (United States)

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.

Synthesis of labeled compounds

International Nuclear Information System (INIS)

Whaley, T.W.

1977-01-01

Intermediate compounds labeled with 13 C included methane, sodium cyanide, methanol, ethanol, and acetonitrile. A new method for synthesizing 15 N-labeled 4-ethylsulfonyl-1-naphthalene-sulfonamide was developed. Studies were conducted on pathways to oleic-1- 13 C acid and a second pathway investigated was based on carbonation of 8-heptadecynylmagnesium bromide with CO 2 to prepare sterolic acid. Biosynthetic preparations included glucose- 13 C from starch isolated from tobacco leaves following photosynthetic incubation with 13 CO 2 and galactose- 13 C from galactosylglycerol- 13 C from kelp. Research on growth of organisms emphasized photosynthetic growth of algae in which all cellular carbon is labeled. Preliminary experiments were performed to optimize the growth of Escherichia coli on sodium acetate- 13 C

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

Science.gov (United States)

Mounet, Nicolas; Gibertini, Marco; Schwaller, Philippe; Campi, Davide; Merkys, Andrius; Marrazzo, Antimo; Sohier, Thibault; Castelli, Ivano Eligio; Cepellotti, Andrea; Pizzi, Giovanni; Marzari, Nicola

2018-02-01

Two-dimensional (2D) materials have emerged as promising candidates for next-generation electronic and optoelectronic applications. Yet, only a few dozen 2D materials have been successfully synthesized or exfoliated. Here, we search for 2D materials that can be easily exfoliated from their parent compounds. Starting from 108,423 unique, experimentally known 3D compounds, we identify a subset of 5,619 compounds that appear layered according to robust geometric and bonding criteria. High-throughput calculations using van der Waals density functional theory, validated against experimental structural data and calculated random phase approximation binding energies, further allowed the identification of 1,825 compounds that are either easily or potentially exfoliable. In particular, the subset of 1,036 easily exfoliable cases provides novel structural prototypes and simple ternary compounds as well as a large portfolio of materials to search from for optimal properties. For a subset of 258 compounds, we explore vibrational, electronic, magnetic and topological properties, identifying 56 ferromagnetic and antiferromagnetic systems, including half-metals and half-semiconductors.

Tunable Cascade Reaction of Aryl Diazonium Salts and Trialkylamine: Synthesis of Monofluorinated Arylhydrazones and gem-Difluorinated Azo Compounds.

Science.gov (United States)

Guo, Rui; Zhang, Zhengjuan; Shi, Feng; Tang, Pingping

2016-03-04

The first example of a mild and tunable cascade reaction of aryl diazonium salts and trialkylamine in the presence of Selectfluor to prepare monofluorinated arylhydrazones and gem-difluorinated azo compounds without metal has been explored. In the presence of H2O, the monofluorinated arylhydrazones were observed in moderate to good yield. In the absence of H2O, the gem-difluorinated azo compounds were obtained. The fluorinated arylhydrazones were utilized to synthesize fluorinated pyrazoles and other nitrogen-containing compounds.

Synthesis of novel pyrazoline based bis (1,2,3-triazole scaffolds via click chemistry

Directory of Open Access Journals (Sweden)

Kiran Kothuri

2017-01-01

Full Text Available A series of novel bis(1,2,3-triazoles derivatives 7a–m were synthesized by the 1,3-dipolar cycloaddition (click-reaction of 1-methyl-3,5-bis(2- -(prop-2-yn-1-yloxyphenyl-4,5-dihydro-1H-pyrazole (5 with various aralkyl azides 6a–m in the presence of sodium ascorbate and copper sulphate with good yields. The required precursor 5 was synthesized by reacting (E-1,3- -bis(2-hydroxyphenylprop-2-en-1-one (3 with methylhydrazine hydrate via 2,2′-(1-methyl-4,5-dihydro-1H-pyrazole-3,5-diyldiphenol 4, followed by reaction with propargyl bromide. The homogeneity of all the newly synthesized compounds was checked by TLC. The IR, NMR, mass spectral data and elemental analysis were in accord with the assigned structure. The title compounds were evaluated for their antibacterial activity against various bacterial strains, i.e., Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Bacillus subtilis; compounds 7f–7h and 7j were found to be moderately active against the bacteria, when compared with that of the standard drug. Furthermore, the same library of compounds was evaluated for their antioxidant activity using the nitric oxide radical scavenging activity. The results of the study showed that compounds 7e–7h and 7k–7m showed good radical scavenging activity.

Combustion synthesized nanocrystalline Li3V2(PO4)3/C cathode for lithium-ion batteries

International Nuclear Information System (INIS)

Nathiya, K.; Bhuvaneswari, D.; Gangulibabu; Kalaiselvi, N.

2012-01-01

Graphical abstract: Nanocrystalline Li 3 V 2 (PO 4 ) 3 /C compound has been synthesized using a novel corn assisted combustion (CAC) method, wherein the composite prepared at 850 °C is found to exhibit superior physical and electrochemical properties than the one synthesized at 800 °C (Fig. 1). Despite the charge disproportionation of V 4+ and a possible solid solution behavior of Li 3 V 2 (PO 4 ) 3 cathode upon insertion and de-insertion of Li + ions, the structural stability of the same is appreciable, even with the extraction of third lithium at 4.6 V (Fig. 2). An appreciable specific capacity of 174 mAh g −1 with an excellent columbic efficiency (99%) and better capacity retention upon high rate applications have been exhibited by Li 3 V 2 (PO 4 ) 3 /C cathode, thus demonstrating the feasibility of CAC method in preparing the title compound to best suit with the needs of lithium battery applications. Display Omitted Highlights: ► Novel corn assisted combustion method has been used to synthesize Li 3 V 2 (PO 4 ) 3 /C. ► Corn is a cheap and eco benign combustible fuel to facilitate CAC synthesis. ► Li 3 V 2 (PO 4 ) 3 /C exhibits an appreciable specific capacity of 174 mAh g −1 (C/10 rate). ► Currently observed columbic efficiency of 99% is better than the reported behavior. ► Suitability of Li 3 V 2 (PO 4 ) 3 /C cathode up to 10C rate is demonstrated. -- Abstract: Nanocrystalline Li 3 V 2 (PO 4 ) 3 /C composite synthesized using a novel corn assisted combustion method at 850 °C exhibits superior physical and electrochemical properties than the one synthesized at 800 °C. Despite the charge disproportionation of V 4+ and a possible solid solution behavior of Li 3 V 2 (PO 4 ) 3 cathode upon insertion and extraction of Li + ions, the structural stability of the same is appreciable, even with the extraction of third lithium at 4.6 V. An appreciable specific capacity of 174 mAh g −1 and better capacity retention upon high rate applications have been

Synthesis and characterization of some novel 1,2,4-triazoles, 1,3,4-thiadiazoles and Schiff bases incorporating imidazole moiety as potential antimicrobial agents

KAUST Repository

Aouad, Mohamed Reda

2015-05-23

(1,4,5-Triphenylimidazol-2-yl-thio)butyric acid hydrazide (3) was obtained via alkylation of 1,4,5-triphenylimidazol-2- thiol (1) with ethylbromobutyrate, followed by addition of hydrazine hydrate. Treatment of acid hydrazide 3 with carbon disulfide in an ethanolic potassium hydroxide solution gave the intermediate potassium dithiocarbazinate salt, which was cyclized to 4-amino-5-[(1,4,5-triphenylimidazol- -2-yl)thiopropyl]-2H-1,2,4-triazole-3-thione (4) in the presence of hydrazine hydrate. Condensation of compound 3 with alkyl/arylisothiocyanate afforded the corresponding 1-[4-(1,4,5-triphenylimidazol-2-ylthio)butanoyl]-4-alkyl/arylthiosemicarbazides (5-7), which upon refluxing with sodium hydroxide, yielded the corresponding 1,2,4-triazole - -3-thiols 8-10. Under acidic conditions, compounds 4-6 were converted to aminothiadiazoles 11-13. Moreover, the series of Schiff bases 14-18 were synthesized from the condensation of compound 3 with different aromatic aldehydes. The newly synthesized compounds were characterized by IR, 1H NMR, 13C NMR and mass spectral analyses. They were also preliminarily screened for their antimicrobial activity.

Rh(III)-Catalyzed C-H Activation of Benzoylacetonitriles and Tandem Cyclization with Diazo Compounds to Substituted Benzo[ de]chromenes.

Science.gov (United States)

Fang, Feifei; Zhang, Chunmei; Zhou, Chaofan; Li, Yazhou; Zhou, Yu; Liu, Hong

2018-04-06

Rh (III)-catalyzed C-H activation of benzoylacetonitriles in coupling with diazo compounds was developed to synthesize diversified substituted benzo[ de]chromenes via a formal (4 + 2) cycloaddition with a diazo compound and subsequent tandem (4 + 2) cycloaddition with another diazo compound. Intriguingly, synthesis of substituted benzo[ de]chromenes and their decarboxylation products could be realized by controlling the reaction conditions. These reactions have a broad range of substrates, moderate to good yields, and high regioselectivity.

Metabolism of isoeugenol via isoeugenol-diol by a newly isolated strain of Bacillus subtilis HS8.

Science.gov (United States)

Zhang, Yongmei; Xu, Ping; Han, Shuai; Yan, Haiqin; Ma, Cuiqing

2006-12-01

A bacterium designated as HS8 was newly isolated from soil based on its ability to degrade isoeugenol. The strain was identified as Bacillus subtilis according to its 16S rDNA sequence analysis and biochemical characteristics. The metabolic pathway for the degradation of isoeugenol was examined. Isoeugenol-diol, for the first time, was detected as an intermediate from isoeugenol to vanillin by a bacterial strain. Isoeugenol was converted to vanillin via isoeugenol-diol, and vanillin was then metabolized via vanillic acid to guaiacol by strain HS8. These metabolites, vanillin, vanillic acid, and guaiacol, are all valuable aromatic compounds in flavor production. At the same time, the bipolymerization of isoeugenol was observed, which produced dehydrodiisoeugenol and decreased the vanillin yield. High level of vanillic acid decarboxylase activity was detected in cell-free extract. These findings provided a detailed profile of isoeugenol metabolism by a B. subtilis strain for the first time, which would improve the production of valuable aromatic compounds by biotechnology.

Thin films of molecular materials synthesized from fisher's carbene ferrocenyl: Film formation and electrical properties

Energy Technology Data Exchange (ETDEWEB)

Sanchez-Vergara, M.E. [Coordinacion de Ingenieria Mecatronica. Escuela de Ingenieria, Universidad Anahuac del Norte. Avenida Lomas de la Anahuac s/n, Col. Lomas Anahuac, 52786, Huixquilucan (Mexico)], E-mail: elena.sanchez@anahuac.mx; Ortiz, A. [Instituto de Investigaciones en Materiales. Universidad Nacional Autonoma de Mexico. A. P. 70-360, 04510, Mexico, DF (Mexico); Alvarez-Toledano, C.; Moreno, A. [Instituto de Quimica, Universidad Nacional Autonoma de Mexico. Circuito Exterior, Ciudad Universitaria, 04510, Mexico, DF (Mexico); Alvarez, J.R. [Instituto Tecnologico y de Estudios Superiores de Monterrey, Campus Ciudad de Mexico. Calle del Puente 222, Col. Ejidos de Huipulco, 14380, Mexico, DF (Mexico)

2008-07-31

The synthesis of materials from Fisher's carbene ferrocenyl of the elements chromium, molybdenum and tungsten was carried out. The Fisher's compounds that were synthesized included the following combinations of two different metallic atoms: iron with chromium, iron with molybdenum and iron with tungsten. The molecular solids' preparation was done in electro-synthesis cells with platinum electrodes. Thin films were prepared by vacuum thermal evaporation on quartz substrates and crystalline silicon wafers. Pellets and thin films from these compounds were characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive spectroscopy, atomic force microscopy and ellipsometry. The powder and thin films synthesized from these materials show the same intra-molecular bonds shown by infrared spectroscopy results, suggesting that thermal evaporation does not alter these bonds in spite of the thin films being amorphous, in contrast with other bimetallic complexes where material decomposition occurs. The differences in the conductivity values of the prepared films are very small, so they may be attributed to the different metallic ions employed in each case. The tungsten complex exhibits a higher conductivity than the molybdenum and chromium complexes at room temperature. Electrical conductivity values found for thin films are higher than for pellets made of the same molecular materials.

Investigation on chemistry of model compounds of technetium radiopharmaceuticals

International Nuclear Information System (INIS)

Muenze, R.; Hartmann, E.

1983-01-01

The report summarized experimental and theoretical results concerning the chemical structures and the biodistribution of hydrophilic technetium chelates with hydroxycarboxylic and aminopolycarboxylic acids, thiol compounds and aliphatic and aromatic nitrogen compounds as ligands. Methods which are suitable for synthesizing and characterizing defined chelates of Tc(V), Tc(IV) and Tc(III) have been developed for crystlline substances and species in solution, respectively. For certain types of technetium chelates three dimensional structure models were calculated from atomic parameters. The electron energies and electron distribution of Tc(V) thiol compounds were calculated by quantum chemical methods in order to interprete physical properties of these substances. Biodistribution studies revealed relationships between the osteotropic behaviour and the structure of phosphorous and non-phosphorous technetium chelates and between the kidney uptake and ligand exchange ability of Tc(V) hydroxycarboxylates. Important parameters for the production of technetium-99m kits have been elaborated and used for the optimization of radiopharmaceuticals (bone-, kidney and hepatobiliaer agents). (author)

Syntheses and electronic structures of decamethylmetallocenes

Energy Technology Data Exchange (ETDEWEB)

Robbins, J.L.

1981-04-01

The synthesis of decamethylmanganocene ((eta-C/sub 5/(CH/sub 3/)/sub 5/)/sub 2/Mn or (Me/sub 5/Cp)/sub 2/Mn)) is described. Magnetic susceptibility and electron paramagnetic resonance (EPR) studies show that (Me/sub 5/Cp)/sub 2/Mn is a low-spin, 17-electron compound with an orbitally degenerate, /sup 2/E/sub 2g/ (e/sub 2g//sup 3/ a/sub 1g//sup 2/) ground state. An x-ray crystallographic study of (Me/sub 5/Cp)/sub 2/Mn shows that it is a monomeric, D/sub 5d/ decamethylmetallocene with metal to ring carbon distances that are about 0.3 A shorter than those determined for high-spin manganocenes. The syntheses of new (Me/sub 5/Cp)/sub 2/M (M = Mg,V,Cr,Co, and Ni) and ((Me/sub 5/Cp)/sub 2/M)PF/sub 6/ (M = Cr,Co, and Ni) compounds are described. In addition, a preparative route to a novel, dicationic decamethylmetallocene, ((Me/sub 5/Cp)/sub 2/Ni)(PF/sub 6/)/sub 2/ is reported. Infrared, nuclear magnetic resonance, magnetic susceptibility, and/or x-ray crystallographic studies indicate that all the above compounds are D/sub 5d/ or D/sub 5h/ decamethylmetallocenes with low-spin electronic configurations. Cyclic voltammetry studies verify the reversibility and the one-electron nature of the (Me/sub 5/Cp)/sub 2/M ..-->.. ((Me/sub 5/Cp)/sub 2/M)/sup +/ (M = Cr,Mn,Fe,Co,Ni), ((Me/sub 5/Cp)/sub 2/Mn)/sup -/ ..-->.. (Me/sub 5/Cp)/sub 2/Mn and ((Me/sub 5/Cp)/sub 2/Ni)/sup +/ ..-->.. (Me/sub 5/Cp)/sub 2/Ni)/sup 2 +/ redox reactions. These studies reveal that the neutral decamethylmetallocenes are much more easily oxidized than their metallocene counterparts. This result attests to the electron-donating properties of the ten substituent methyl groups. Proton and carbon-13 NMR data are reported for the diamagnetic Mg(II), Mn(I), Fe(II), Co(III), and Ni(IV) decamethylmetallocenes and for ((Me/sub 5/Cp)/sub 2/V(CO)/sub 2/)/sup +/. The uv-visible absorption spectra of the 15-, 18- and 20- electron decamethylmetallocenes are also reported.

Novel Schiff Bases Based on the Quinolinone Skeleton: Syntheses, X-ray Structures and Fluorescent Properties

Directory of Open Access Journals (Sweden)

Zdeněk Trávníček

2014-09-01

Full Text Available A series of a new type of Schiff bases 1–7, derived from 2-phenyl-3-amino-4(1H-quinolinone and R-salicyladehyde derivatives wherein R = 3-hydroxy (1, 3,4-dihydroxy (2, 3-methoxy (3, 3-carboxy (4, 3-allyl (5, 5-chloro (6, and 5-nitro (7, was synthesized and structurally characterized. Each of the molecules 1, 3 and 7 consists of three planar moieties (i.e., a quinolinone and two phenyl rings, which are mutually oriented differently depending on the appropriate substituent R and the extent of non-covalent contacts stabilizing the crystal structures. The compounds were studied for their fluorescence properties, where compound 6 yielded the strongest intensity both in the solid phase and in 100 μM ethanol solution with a quantum yield of φ = 3.6% as compared to quinine sulfate used as a standard. The in vitro cytotoxicity of these compounds was tested against the human osteosarcoma (HOS and breast adenocarcinoma (MCF7 cell lines, revealing no activity up to the concentration of 50 µM.

Syntheses, characterizations and crystal structures of three new organically templated or organically bonded zinc selenates

International Nuclear Information System (INIS)

Feng Meiling; Mao Jianggao; Song Junling

2004-01-01

Three new organically templated or organically bonded zinc selenates, namely, {H 2 bipy}Zn(SeO 4 ) 2 (H 2 O) 2 1 (bipy=4,4'-bipyridine), {H 2 pip}{Zn(SeO 4 ) 2 (H 2 O) 4 }·2H 2 O 2 (pip=piprazine), and Zn(SeO 4 )(phen)(H 2 O) 2 3 (phen=1,10-phenanthroline) have been synthesized by hydrothermal reactions. The structure of compound 1 features a 1D chain composed of [Zn(SeO 4 ) 2 (H 2 O) 2 ] 2- anions. Compound 2 has a 2D layer structure built from {Zn(SeO 4 ) 2 (H 2 O) 4 } 2- anions that are cross-linked by doubly protonated piperazine cations via N-H···O hydrogen bonds. The structure of compound 3 contains a 1D chain of Zn(SeO 4 )(phen)(H 2 O) 2 , such chains are further interlinked by hydrogen bonds and π···π interactions to form a layer. The different roles the templates played have also been discussed

Magnetically Recoverable Supported Ruthenium Catalyst for Hydrogenation of Alkynes and Transfer Hydrogenation of Carbonyl Compounds

Science.gov (United States)

A ruthenium (Ru) catalyst supported on magnetic nanoparticles (NiFe2O4) has been successfully synthesized and used for hydrogenation of alkynes at room temperature as well as transfer hydrogenation of a number of carbonyl compounds under microwave irradiation conditions. The cata...

LFG-500, a newly synthesized flavonoid, attenuates lipopolysaccharide-induced acute lung injury and inflammation in mice.

Science.gov (United States)

Li, Chenglin; Yang, Dan; Cao, Xin; Wang, Fan; Jiang, Haijing; Guo, Hao; Du, Lei; Guo, Qinglong; Yin, Xiaoxing

2016-08-01

Acute lung injury (ALI) often causes significant morbidity and mortality worldwide. Improved treatment and effective strategies are still required for ALI patients. Our previous studies demonstrated that LFG-500, a novel synthesized flavonoid, has potent anti-cancer activities, while its anti-inflammatory effect has not been revealed. In the present study, the in vivo protective effect of LFG-500 on the amelioration of lipopolysaccharide (LPS)-induced ALI and inflammation was detected. LFG-500 attenuated LPS-induced histological alterations, suppressed the infiltration of inflammatory cells in lung tissues and bronchoalveolar lavage fluid, as well as inhibited the secretion of several inflammatory cytokines, such as tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β), and IL-6 in lung tissues after LPS challenge. In addition, the in vitro effects and mechanisms were studied in LPS stimulated RAW 264.7 cells and THP-1 cells. LFG-500 significantly decreased the secretion and expression of TNF-α, IL-1β, and IL-6 through inhibiting the transcriptional activation of NF-κB. Moreover, overexpression of NF-κB p65 reversed the inhibitory effect of LFG-500 on LPS-induced NF-κB activation and inflammatory cytokine secretion. Further elucidation of the mechanism revealed that p38 and JNK MAPK pathways were involved in the anti-inflammation effect of LFG-500, through which LFG-500 inhibited the classical IKK-dependent pathway and led to inactivation of NF-κB. More importantly, LFG-500 suppressed the expression and nuclear localization of NF-κB in LPS-induced ALI mice. Taken together, these results demonstrated that LFG-500 could attenuate LPS-induced ALI and inflammation by suppressing NF-κB activation, which provides new evidence for the anti-inflammation activity of LFG-500. Copyright © 2016 Elsevier Inc. All rights reserved.

Design of a Slowed-Rotor Compound Helicopter for Future Joint Service Missions

Science.gov (United States)

Silva, Christopher; Yeo, Hyeonsoo; Johnson, Wayne R.

2010-01-01

A slowed-rotor compound helicopter has been synthesized using the NASA Design and Analysis of Rotorcraft (NDARC) conceptual design software. An overview of the design process and the capabilities of NDARC are presented. The benefits of trading rotor speed, wing-rotor lift share, and trim strategies are presented for an example set of sizing conditions and missions.

Influence of branched quaternary ammonium surfactant molecules as levelers for copper electroplating from acidic sulfate bath

International Nuclear Information System (INIS)

Wang, An-yin; Chen, Biao; Fang, Lei; Yu, Jian-jun; Wang, Li-min

2013-01-01

A family of branched quaternary ammonium surfactants (compounds 1a–1c) with different carbon chains were synthesized for levelers applied in copper electroplating. Their inhibitory actions on copper electroplating were characterized by cyclic voltammetry (CV). Compound 1b, as representative structure type, was tested by means of different electrochemical methods including CV, polarization curve and electrochemical impedance spectroscopy (EIS) with different concentrations. The interaction between compound 1b and copper surface was investigated using atomic force microscope (AFM) and X-ray photoelectron spectra (XPS). The results indicated that our newly synthesized compounds, particular 1b, were effective levelers used for copper electroplating. Compound 1b could adsorb on copper surface to form an adsorption layer. The adsorption behavior of compound 1b on copper surface indicated that compound 1b could inhibit the copper electrodeposition, which provided favorable conditions used as a leveler. Moreover, the addition of compound 1b could increase the cathodic polarization, which was attributed to the adsorption of compound 1b during copper electroplating process. In addition, various surface morphologies and crystalline orientation of the plated copper films caused by different concentrations of compound 1b were characterized by scanning electron microscope (SEM) and X-ray diffraction (XRD) respectively. Effects of compound 1b on refining the grain size and changing the preferential orientation of the plated copper films were exhibited