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Sample records for diquinone moieties technical

  1. Predicting the localized/delocalized character of mixed-valence diquinone radical anions. Toward the right answer for the right reason.

    PubMed

    Renz, Manuel; Kaupp, Martin

    2012-11-01

    The Robin-Day class II/III mixed-valence character is established quantum-chemically for a series of mixed-valence diquinone radical anions. Particular emphasis is placed on the radical anion of tetrathiafulvalenedibenzoquinone, Q-TTF-Q, which has recently been used to evaluate constrained density functional approaches (CDFT) and new range hybrid functionals. Using a computational protocol based on hybrid functionals with 35-42% exact-exchange admixture and inclusion of solvent models during the structure optimization, it is demonstrated that a) Q-TTF-Q(•-), 1, and the related diquinone radical anions 2-4 are all delocalized class III species in the gas phase and in nonpolar solvents, in contrast to previous assumptions; b) 1,4,5,8-anthracenetetraone radical anion, 2, remains class III in polar aprotic solvents, c) systems 1, 3 and 4 become class II, providing excellent agreement between computed and experimental intervalence charge-transfer excitations, thermal electron-transfer (ET) barriers and ESR hyperfine couplings. The direct conductor-like screening model for real solvents (D-COSMO-RS) allows the inclusion of specific hydrogen-bonding effects without the computational effort of molecular dynamics simulations and provides increased ET barriers, as well as a predicted incipient symmetry breaking for 2, due to hydrogen bonding in alcohol solvents. For the first time D-COSMO-RS optimizations in solvent mixtures have been evaluated. As previous computational studies of Q-TTF-Q(•-) neglected solvent effects during structure optimizations and obtained charge localization in gas-phase optimizations by CDFT or by exaggerated exact-exchange admixtures, they provided at best the right answer for the wrong reason. PMID:23025699

  2. Synthesis of the Sugar Moieties

    NASA Astrophysics Data System (ADS)

    Grynkiewicz, Grzegorz; Szeja, Wieslaw

    Biological activity of the anthracycline antibiotics, which have found wide application in clinical oncology, is strongly related to their glycosidic structure. Modification or switch of the saccharide moiety became an important line of new drug discovery and study of their mechanism of action. Natural glycons (sugar moieties) of the anthracycline antibiotics belong to the 2,6-dideoxypyranose family and their principal representative, daunosamine, is 3-amino-2,3,6-trideoxy- l-lyxo-pyranose. Some newer chemical syntheses of this sugar, from a chiral pool as well as from achiral starting materials, are presented and their capability for scale-up and process development are commented upon. Rational sugar structural modifications, which are either useful for synthetic purposes or offer advantages in experimental therapy of cancer, are discussed from the chemical point of view.

  3. Mesoporous hybrid organosilica containing urethane moieties

    SciTech Connect

    Seo, You-Kyong; Park, Sung-Bae; Ho Park, Dong . E-mail: chempdh@inje.ac.kr

    2006-04-15

    Mesoporous hybrid material containing urethane moieties in functionalized long chain organic group have been synthesized by using bis[3-(triethoxysilyl) propyl urethane]ethane (BTESPUE) and tetraethoxysilane as structural ingredients. The incorporation of BTESPUE within the framework of mesoporous material was confirmed by Fourier transform-infrared, X-ray photoelectron spectroscopy, solid-state NMR spectroscopy and thermogravimetric analysis. This material had a thick wall and uniform pore, which may be attributed to the hydrogen bonding inside framework due to urethane moieties.

  4. Moieties in Ancient Mesoamerica: Inferences on Teotihuacan Social Structure

    ERIC Educational Resources Information Center

    Becker, Marshall Joseph

    1975-01-01

    The intent of this article is to demonstrate the existence of political moieties at Teotihuacan by gathering evidence for dual organization in Mesoamerica, providing information regarding the operation and functions of political moieties, and indicating how the evidence now available conforms to a general model of moieties. (Author)

  5. TTFs nonsymmetrically fused with alkylthiophenic moieties

    PubMed Central

    Silva, Rafaela A L; Vieira, Bruno J C; Andrade, Marta M; Santos, Isabel C; Rabaça, Sandra

    2015-01-01

    Summary Two new dithiolene ligand precursors, containing fused TTF and alkyl thiophenic moieties 3,3'-{[2-(5-(tert-butyl)thieno[2,3-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-diyl]bis[sulfanediyl]}dipropanenitrile (α-tbtdt, 1), and 3,3'-{[2-(5-methylthieno[2,3-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-diyl]bis[sulfanediyl]}dipropanenitrile (α-mtdt, 2), were synthesized and characterized. The electrochemical properties of these electronic donors were studied by cyclic voltammetry (CV) in dichloromethane. Both compounds show two quasi-reversible oxidation processes, versus Ag/AgCl, typical of TTF donors at E 1 1/2 = 279 V and E 2 1/2 = 680 V for 1 and E 1 1/2 = 304 V and E 2 1/2 = 716 V in the case of 2. The single-crystal X-ray structure of 1 and of a charge transfer salt of 2, (α-mtdt)[Au(mnt)2] (3), are reported. PMID:26124865

  6. Polyimides containing the cyclobutene-3,4-dione moiety

    NASA Technical Reports Server (NTRS)

    St.clair, Terry L. (Inventor)

    1993-01-01

    In the present invention, linear aromatic polyimides containing the cyclobutene-3,4-dione moiety were produced from the reaction of a substituted or unsubstituted 1,2-bis(4-aminoanilino) cyclobutene-3,4-dione (SQDA) with various aromatic dianhydrides. These polymers had high molecular weights and their glass transition temperatures (Tgs) were greater than 500 C. Despite the very high Tg, these polymers exhibited excellent adhesion to glass. In addition, the films of these polyimides increased in flexibility with increasing cure temperatures. The novelty of this invention lies in the linear aromatic polyimide containing the cyclobutene-3,4-dione moiety. The presence of this moiety causes such changes in properties as Tgs greater than 500 C, excellent adhesion to glass, and increased flexibility with increasing cure temperatures.

  7. Synthesis of neosaponins and neoglycolipids containing a chacotriosyl moiety.

    PubMed

    Miyashita, Hiroyuki; Ikeda, Tsuyoshi; Nohara, Toshihiro

    2007-11-01

    Alpha-L-rhamnopyranosyl-(1-->4)-[alpha-L-rhamnopyranosyl-(1-->2)]-beta-D-glucopyranose (chacotriose) is the oligosaccharide moiety of dioscin. Chacotriosyl trichloroacetimidate was synthesized from d-glucose and l-rhamnose, and glycosylated to mevalonate (diosgenin, cholesterol, and glycyrrhetic acid) to yield dioscin and neosaponins. In order to simplify the structure of the aglycone part, the mevalonate moiety was replaced with double-chain neoglycolipids that mimicked glycosyl ceramides. A cytotoxicity test revealed the importance of the glycosidic linkage of the naturally occurring beta-form and that dioscin and the neoglycolipid with the longest chain showed a moderate activity. PMID:17655835

  8. Polyimides containing meta-biphenylenedioxy moieties and articles prepared therefrom

    NASA Technical Reports Server (NTRS)

    St.clair, Terry L. (Inventor); Pratt, Richard (Inventor)

    1995-01-01

    Two monomers containing meta-biphenylenedioxy moieties were prepared. One monomer, a diamine, is used to prepare polyimide, polyamide, and epoxy polymers. The other monomer, a dianhydride, was used to prepared polyimide polymers. These polymers are used to make films, coatings, and selective membranes.

  9. Retroperitoneoscopic left upper moiety heminephroureterectomy for dribbling incontinence.

    PubMed

    Chan, E; Steinbrecher, H; Madden, N; Farrugia, M-K

    2014-02-01

    A 7-year-old girl underwent a prone, retroperitoneoscopic left upper moiety heminephroureterectomy for a non-functioning upper moiety associated with a dilated, ectopic ureter. The dilated ureter was noted prenatally, but postnatal investigations failed to demonstrate the duplex system. The child remained asymptomatic until she represented at 6 years of age, with dribbling of urine. She went on to have an ultrasound scan, dimercaptosuccinic acid and magnetic resonance urogram, which identified a grossly-dilated fluid-filled structure in proximity of the left kidney, but failed to demonstrate the small non-functioning left upper moiety. A computed tomography urogram was more helpful in establishing the diagnosis. Retroperitoneoscopy via three 5-mm ports allowed clear visualisation of both the left duplex ureters, as well as the small non-functioning upper moiety, which had been challenging on the pre-operative imaging. The procedure is described in the accompanying video. The child was discharged home the following day and has been completely well and dry at 6 months' follow-up. PMID:24321778

  10. Cyclopentenone: a special moiety for anticancer drug design.

    PubMed

    Conti, Matteo

    2006-10-01

    The conjugate cyclopent-en-one chemical group is a special moiety for anticancer drugs. Studies on cyclopentenone prostaglandins, clavulones and other compounds have revealed its mechanism of action and a wide spectrum of intracellular targets, ranging from nuclear factors to mitochondria. The introduction of the cyclopentenone moiety into molecules, such as jasmonates and chalcones, has been shown to boost their anticancer potential. In this work, reviewing pertinent up-to-date literature, we have pointed out potentially effective cyclopentenone-bearing compounds for anticancer clinical research and inspiring relationships for future drug design. In particular, it appears that the addition of cyclopentenone groups to target-orienting molecules, in order to inactivate specific proteins in cells, could be a helpful general strategy for the development of novel therapeutic molecules. PMID:17001173

  11. The Disaccharide Moiety of Bleomycin Facilitates Uptake by Cancer Cells

    PubMed Central

    2015-01-01

    The disaccharide moiety is responsible for the tumor cell targeting properties of bleomycin (BLM). While the aglycon (deglycobleomycin) mediates DNA cleavage in much the same fashion as bleomycin, it exhibits diminished cytotoxicity in comparison to BLM. These findings suggested that BLM might be modular in nature, composed of tumor-seeking and tumoricidal domains. To explore this possibility, BLM analogues were prepared in which the disaccharide moiety was attached to deglycobleomycin at novel positions, namely, via the threonine moiety or C-terminal substituent. The analogues were compared with BLM and deglycoBLM for DNA cleavage, cancer cell uptake, and cytotoxic activity. BLM is more potent than deglycoBLM in supercoiled plasmid DNA relaxation, while the analogue having the disaccharide on threonine was less active than deglycoBLM and the analogue containing the C-terminal disaccharide was slightly more potent. While having unexceptional DNA cleavage potencies, both glycosylated analogues were more cytotoxic to cultured DU145 prostate cancer cells than deglycoBLM. Dye-labeled conjugates of the cytotoxic BLM aglycons were used in imaging experiments to determine the extent of cell uptake. The rank order of internalization efficiencies was the same as their order of cytotoxicities toward DU145 cells. These findings establish a role for the BLM disaccharide in tumor targeting/uptake and suggest that the disaccharide moiety may be capable of delivering other cytotoxins to cancer cells. While the mechanism responsible for uptake of the BLM disaccharide selectively by tumor cells has not yet been established, data are presented which suggest that the metabolic shift to glycolysis in cancer cells may provide the vehicle for selective internalization. PMID:25184545

  12. The disaccharide moiety of bleomycin facilitates uptake by cancer cells.

    PubMed

    Schroeder, Benjamin R; Ghare, M Imran; Bhattacharya, Chandrabali; Paul, Rakesh; Yu, Zhiqiang; Zaleski, Paul A; Bozeman, Trevor C; Rishel, Michael J; Hecht, Sidney M

    2014-10-01

    The disaccharide moiety is responsible for the tumor cell targeting properties of bleomycin (BLM). While the aglycon (deglycobleomycin) mediates DNA cleavage in much the same fashion as bleomycin, it exhibits diminished cytotoxicity in comparison to BLM. These findings suggested that BLM might be modular in nature, composed of tumor-seeking and tumoricidal domains. To explore this possibility, BLM analogues were prepared in which the disaccharide moiety was attached to deglycobleomycin at novel positions, namely, via the threonine moiety or C-terminal substituent. The analogues were compared with BLM and deglycoBLM for DNA cleavage, cancer cell uptake, and cytotoxic activity. BLM is more potent than deglycoBLM in supercoiled plasmid DNA relaxation, while the analogue having the disaccharide on threonine was less active than deglycoBLM and the analogue containing the C-terminal disaccharide was slightly more potent. While having unexceptional DNA cleavage potencies, both glycosylated analogues were more cytotoxic to cultured DU145 prostate cancer cells than deglycoBLM. Dye-labeled conjugates of the cytotoxic BLM aglycons were used in imaging experiments to determine the extent of cell uptake. The rank order of internalization efficiencies was the same as their order of cytotoxicities toward DU145 cells. These findings establish a role for the BLM disaccharide in tumor targeting/uptake and suggest that the disaccharide moiety may be capable of delivering other cytotoxins to cancer cells. While the mechanism responsible for uptake of the BLM disaccharide selectively by tumor cells has not yet been established, data are presented which suggest that the metabolic shift to glycolysis in cancer cells may provide the vehicle for selective internalization. PMID:25184545

  13. Chemical analysis of surface oxygenated moieties of fluorescent carbon nanoparticles

    NASA Astrophysics Data System (ADS)

    Huang, Jie; Deming, Christopher P.; Song, Yang; Kang, Xiongwu; Zhou, Zhi-You; Chen, Shaowei

    2012-01-01

    Water-soluble carbon nanoparticles were prepared by refluxing natural gas soot in concentrated nitric acid. The surface of the resulting nanoparticles was found to be decorated with a variety of oxygenated species, as suggested by spectroscopic measurements. Back potentiometric titration of the nanoparticles was employed to quantify the coverage of carboxylic, lactonic, and phenolic moieties on the particle surface by taking advantage of their vast difference of acidity (pKa). The results were largely consistent with those reported in previous studies with other carbonaceous (nano)materials. Additionally, the presence of ortho- and para-quinone moieties on the nanoparticle surface was confirmed by selective labelling with o-phenylenediamine, as manifested in X-ray photoelectron spectroscopy, photoluminescence, and electrochemical measurements. The results further supported the arguments that the surface functional moieties that were analogous to 9,10-phenanthrenequinone were responsible for the unique photoluminescence of the nanoparticles and the emission might be regulated by surface charge state, as facilitated by the conjugated graphitic core matrix.

  14. Glycan Moieties as Bait to Fish Plasma Membrane Proteins.

    PubMed

    Fang, Fei; Zhao, Qun; Sui, Zhigang; Liang, Yu; Jiang, Hao; Yang, Kaiguang; Liang, Zhen; Zhang, Lihua; Zhang, Yukui

    2016-05-17

    Plasma membrane proteome analysis is of significance for screening candidate biomarkers and drug targets. However, due to their low abundance and lack of specific groups that can enable their capture, the plasma membrane proteins (PMPs) are under-represented. On the basis of the fact that PMPs are embedded in or anchored to the phospholipid bilayer of the plasma membrane and the glycan moieties of proteins and lipids located on the plasma membrane are exposed outside of the cell surface, we proposed a strategy to capture PMPs, termed as glycan moieties-directed PMPs enrichment (GMDPE). With the glycan moieties exposed outside of the cells as bait to ensure the selectivity and the phospholipid bilayer as raft to provide the sensitivity, we applied this strategy into the plasma membrane proteome analysis of HeLa cells, and in total, 772 PMPs were identified, increased by 4.5 times compared to those identified by the reported cell surface biotinylation method. Notably, among them, 86 CD antigens and 16 ion channel proteins were confidently identified. All these results demonstrated that our proposed approach has great potential in the large scale plasma membrane proteome profiling. PMID:27088673

  15. Examination of adipose depot-specific PPAR moieties

    SciTech Connect

    Dodson, M.V.; Vierck, J.L.; Hausman, G.J.; Guan, L.L.; Fernyhough, M.E.; Poulos, S.P.; Mir, P.S.; Jiang, Z.

    2010-04-02

    Molecular mechanisms of peroxisome proliferator activated receptors (PPARs) are being defined rapidly, as illustrated by the volume of papers published. Much of the research is directed towards a clinical end-point/application; however, the non-homogeneous nature of adipose depots in laboratory animals is spurring similar research in domestic meat animals (such as beef cattle). Moreover, the size of adipose depots in meat animals remains an attractive feature for using them to obtain cells for PPAR research. Examination of meat-animal depot-specific PPAR moieties may provide novel information about adipocyte regulation that might be extrapolated to all animals.

  16. Molecular rectifiers: a new design based on asymmetric anchoring moieties.

    PubMed

    Van Dyck, Colin; Ratner, Mark A

    2015-03-11

    The quest for a molecular rectifier is among the major challenges of molecular electronics. We introduce three simple rules to design an efficient rectifying molecule and demonstrate its functioning at the theoretical level, relying on the NEGF-DFT technique. The design rules notably require both the introduction of asymmetric anchoring moieties and a decoupling bridge. They lead to a new rectification mechanism based on the compression and control of the HOMO/LUMO gap by the electrode Fermi levels, arising from a pinning effect. Significant rectification ratios up to 2 orders of magnitude are theoretically predicted as the mechanism opposes resonant to nonresonant tunneling. PMID:25706442

  17. Aluminum Zintl anion moieties within sodium aluminum clusters

    SciTech Connect

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Grubisic, Andrej; Li, Xiang; Ganteför, Gerd; Bowen, Kit H. E-mail: kiran@mcneese.edu; Schnöckel, Hansgeorg; Eichhorn, Bryan W.; Lee, Mal-Soon; Jena, P.; Kandalam, Anil K. E-mail: kiran@mcneese.edu; Kiran, Boggavarapu E-mail: kiran@mcneese.edu

    2014-02-07

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium–aluminum cluster anions, Na{sub m}Al{sub n}{sup −}, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.

  18. Aluminum Zintl anion moieties within sodium aluminum clusters

    NASA Astrophysics Data System (ADS)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Grubisic, Andrej; Li, Xiang; Ganteför, Gerd; Schnöckel, Hansgeorg; Eichhorn, Bryan W.; Lee, Mal-Soon; Jena, P.; Kandalam, Anil K.; Kiran, Boggavarapu; Bowen, Kit H.

    2014-02-01

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium-aluminum cluster anions, NamAln-, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.

  19. Aluminum Zintl anion moieties within sodium aluminum clusters.

    PubMed

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Grubisic, Andrej; Li, Xiang; Ganteför, Gerd; Schnöckel, Hansgeorg; Eichhorn, Bryan W; Lee, Mal-Soon; Jena, P; Kandalam, Anil K; Kiran, Boggavarapu; Bowen, Kit H

    2014-02-01

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium-aluminum cluster anions, Na(m)Al(n)(-), were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams. PMID:24511934

  20. Oxygen permeability of hydrogel contact lenses with organosilicon moieties.

    PubMed

    Compañ, V; Andrio, A; López-Alemany, A; Riande, E; Refojo, M F

    2002-07-01

    Oxygen transport through two extended wear (day and night) hydrogel contact lenses that contain organosilicon moieties (balafilcon A and lotrafilcon A) was studied in the hydrate (hydrogel) and dry (xerogel) states. The water uptake increased the oxygen permeability [(Dk)app] and transmissibility [Dk/L(av)] coefficients of the dry materials by about 70%. The (Dk)app for the hydrated lenses was determined following the so-called stack procedure. The values obtained were 107 +/- 4 barrer for balafilcon A and 141 +/- 5 barrer for lotrafilcon A, about 5-10 times larger than those previously reported for conventional (without organosilicon moieties) extended wear hydrogels contact lenses. The Dk/L(av) for -3.00 diopter lenses (harmonic average thickness, L(av) = 75 +/- 2 microm for lotrafilcon, and 85 +/- 2 microm for balafilcon) was 123 +/- 6 barrer/cm for balafilcon A and 183 +/- 8 barrer/cm for lotralicon A. The minimum oxygen transmissibility 87 barrer/cm stipulated by Holden and Mertz to avoid corneal edema with extended wear contact can be easily achieved with lotrafilcon and balafilcon lenses of diverse dioptric powers if the central and peripheral thickness of the lenses are kept below the critical level of oxygen transmissibility. PMID:12059027

  1. Serine incorporation into the selenocysteine moiety of glutathione peroxidase

    SciTech Connect

    Sunde, R.A.; Evenson, J.K.

    1987-01-15

    The selenium in mammalian glutathione peroxidase is present as a selenocysteine ((Se)Cys) moiety incorporated into the peptide backbone 41-47 residues from the N-terminal end. To study the origin of the skeleton of the (Se)Cys moiety, we perfused isolated rat liver with /sup 14/C- or /sup 3/H-labeled amino acids for 4 h, purified the GSH peroxidase, derivatized the (Se)Cys in GSH peroxidase to carboxymethylselenocysteine ((Se)Cys(Cm)), and determined the amino acid specific activity. Perfusion with (/sup 14/C)cystine resulted in (/sup 14/C)cystine incorporation into GSH peroxidase without labeling (Se)Cys(Cm), indicating that cysteine is not a direct precursor for (Se)Cys. (/sup 14/C)Serine perfusion labeled serine, glycine (the serine hydroxymethyltransferase product), and (Se)Cys(Cm) in purified GSH peroxidase, whereas (3-3H)serine perfusion only labeled serine and (Se)Cys(Cm), thus demonstrating that the (Se)Cys in GSH peroxidase is derived from serine. The similar specific activities of serine and (Se)Cys(Cm) strongly suggest that the precursor pool of serine used for (Se) Cys synthesis is the same or similar to the serine pool used for acylation of seryl-tRNAs.

  2. Metabolic activation of furan moiety makes Diosbulbin B hepatotoxic.

    PubMed

    Li, Weiwei; Lin, Dongju; Gao, Huiyuan; Xu, Youjun; Meng, Dongya; Smith, Charles Vincent; Peng, Ying; Zheng, Jiang

    2016-04-01

    Diosbulbin B (DIOB), a furanoid, is a major constituent of herbal medicine Dioscorea bulbifera L. Exposure to DIOB caused liver injury in humans and experimental animals. The mechanisms of DIOB-induced hepatotoxicities remain unknown. The present study demonstrated that DIOB induced hepatotoxicities in a time- and dose-dependent manner in mice. H&E stained histopathologic image showed the occurrence of necrosis in the liver obtained from the mice treated with DIOB at dose of 200 mg/kg. Pretreatment with KTC protected the animals from hepatotoxicities and hepatic GSH depletion induced by DIOB, increased area under the concentration-time curve of blood DIOB, decreased urinary excretion of GSH conjugates derived from DIOB, and increased urinary excretion of parent drug. Pretreatment with BSO exacerbated DIOB-induced hepatotoxicities. In order to define the role of furan moiety in DIOB-induced liver toxicities, we replaced the furan of DIOB with a tetrahydrofuran group by chemical hydrogenation of the furan ring of DIOB. No liver injury was observed in the animals given the same doses of tetrahydro-DIOB. The furan moiety was essential for DIOB-induced hepatotoxicities. The results implicate the cis-enedial reactive metabolite of DIOB was responsible for the observed toxicities. The observed modest depletion of hepatic GSH in DIOB-treated animals suggests the actions of one or more reactive metabolites, and the hepatic injury observed could be due at least in part to reactions of these metabolites with crucial biomolecules. Cytochrome P450 3A enzymes are implicated in DIOB-induced hepatotoxicities by catalyzing the formation of the reactive metabolite of DIOB. PMID:25851819

  3. Photochemistry and photophysics of ketyl radicals containing the anthrone moiety

    SciTech Connect

    Netto-Ferreira, J.C.; Murphy, W.F.; Redmond, R.W.; Scaiano, J.C. )

    1990-05-23

    The photochemistry of several ketones containing an anthrone moiety has been employed to produce the corresponding ketyl radicals 1-4 by photoreduction in the presence of suitable hydrogen donors. The excited-state behavior of these radicals has been examined with use of two-laser, two-color techniques. The lifetimes for the excited ketyl radicals, ranging from 7.9 ns for 3 to 33 ns for 2, are longer than that observed for benzophenone ketyl, thus suggesting that conformational restrictions play a key role in controlling excited radical lifetimes. In the case of 3 the dominant mode of decay involves loss of a benzyl radical from the 10-position, while for 1 and 2 the process involves the loss of a hydrogen atom from the hydroxylic position; in the case of 2 this has been confirmed by Raman spectroscopy. The quantum yields of radical photobleaching are 0.20, 0.46, and 0.75 for 1, 2, and 3, respectively, while 4 is essentially photostable.

  4. Synthesis and characterization of a polyacetylene derivative with phenylazobenzene moieties.

    PubMed

    Gal, Yeong-Soon; Jin, Sung-Ho; Lyoo, Won Seok; Park, Jong-Wook; Lim, Kwon Taek

    2011-08-01

    A new polyacetylene derivative was prepared by the activated polymerization of 2-ethynylpyridine by using 4-(phenylazo)benzoyl chloride without any additional initiator or catalyst in high yield. The chemical structure of poly[2-ethynyl-N-(4-(phenylazo)benzoyl) pyridinium chloride [PEPABPC] was characterized by such instrumental methods as NMR, IR, and UV-visible spectroscopies to have a conjugated polymer backbone system with the designed azobenzene moieties. The electrooptical and electrochemical properties of PEPABPC were studied. The photoluminescence spectrum showed that the PL peak is at 597 nm corresponding to the photon energy of 2.07 eV. The cyclovoltammograms of PEPABPC exhibited the irreversible electrochemical behaviors between the oxidation and reduction peaks. The oxidation current density of PEPABPC versus the scan rates is approximately linear relationship in the range of 30 mV/sec-150 mV/sec. It was found that the the kinetics of the redox process of this polymer is controlled by the reactant diffusion process from the oxidation current density of PEPABPC versus the scan rates. PMID:22103202

  5. Prosthetic iodination methods for radiolabeling of carbonyl moieties

    SciTech Connect

    Barakat, B.M.A.

    1987-01-01

    The demonstrable need for an indirect, prosthetic-group, radioiodination of carbonyl-containing biomolecules such as ketosteroids, carbohydrates, gangliosides, glycoproteins and aldehydo- and keto-drugs. This need has been addressed by developing a route to iodinated (radioiodination) aryl hydrazides which are subsequently condensed with carbonyl-containing moieties. This dissertation is directed at improving the utility of this reaction and at comparing the hydrolytic stability of the resulting hydrazones to that of similar tyramine imines, a type presently employed in indirect radioiodinations. The aryl carboxylic acid hydrazones were virtually inert to hydrolysis under simulated physiological conditions which caused imine bond rupture. Further improvements to this new prosthetic labeling method were sought in simplifying its two-step, acid-catalyzed cleavage of triazenooxadiazoles (the protected, pre-labeling form of the aryl carboxylic acid hydrazides) to the iodinated hydrazide. Synthetic procedures were explored which might yield non-conjugated aryl oxadiazoles--bearing methylenes inserted between the phenyl and the heterocyclic ring--in the expectation that these substances would be less stable and would hydrolyze in a single-acid-catalyzed step. Four synthetic pathways to amino (or nitro) aryl-methyl oxadiazoles could not be advanced beyond the open-chain precursors of the heterocyclics. Pyrolysis, thermolysis, and catalyzed cyclization reagents could not effect ring closure. A method was developed, however, to an oxadiazolone which can serve as a protective functionality for the iodinated aryl acid hydrazides.

  6. Polysiloxanes with a Phenol Moiety for Bilayer Photoresist Applications

    NASA Astrophysics Data System (ADS)

    Onishi, Yasunobu; Ushirogouchi, Touru; Horiguchi, Rumiko; Hayase, Shuzi

    1989-08-01

    Novel Polysiloxanes with a phenol pendant group were synthesized and applied to bilayer photoresists for g-line and deep-UV (248 nm) lithography. These polymers had adequate aqueous-base solubility and oxygen-RIE resistance to serve as the base resin component for top imaging resists in bilayer resist systems. One of these polysiloxanes was synthesized from chlorodiethoxyphenylsilane and m-trimethylsiloxychlobenzene. Others were synthesized from dichlorophenylsilane and phenol and phenols with a double bond moiety (eugenol, isoeugenol and m-isopropenylphenol). These polysiloxanes had from 9.8 wt.% to 13.1 wt.X Si content and displayed an oxygen-RIE resistance 10 times greater than novolak resin. The m.p. values for these polymers ranged from 30°C to 90°C. The UV transmittance value (at 248 nm, 1 micron thickness) were from 7 % to 76 X. Resists were prepared from these polysiloxanes and sensitizers. In g-line lithography, the sensitizer was naphthoquinonediazide. In deep-UV (248 nm) lithography, the sensitizer was selected from naphtoquinonediazide, diazide and diazo compounds. 0.5 micron line and space patterns were obtained, when the resist was exposed using a g-line stepper, and using a tetramethylammonium hydroxide solution (ca. 1.3 %). 0.4 micron line and space patterns were resolved, when the resist was exposed using a KrF excimer laser stepper, and developed using the same solution. The top layer pattern could be transferred to the bottom layer (hard baked positive resist OFPR-5000) using oxygen-RIE. The etching rate for the silicon containing resist was 35 nm/min, while that for OFPR-5000 was 555 nm/min. These polysiloxanes make it possible to obtain the fine pattern resolution required in VLSI processing.

  7. Studies on the supramolecular shape memory polyurethane containing pyridine moieties

    NASA Astrophysics Data System (ADS)

    Shaojun, Chen

    Fabricating smart materials with supramolecular switch is an attractive research topic. In this study, supramolecular polyurethane networks containing pyridine moieties (PUPys) were synthesized from N,N-bis(2-hydroxylethyl)isonicotinamide (BINA), hexamethylene diisocyanate (HDI), 4, 4-diphenylmethane diisocyanate (MDI) and 1,4-butanediol (BDO). A series of studies were carried out to investigate the supramolecular structure, morphology and shape memory properties including of thermal-induced shape memory effect and moisture-sensitive shape memory effect. Results show that hydrogen-bonded supramolecular structure and phase separation morphology are formed in the PUPys. The glass transition temperature (Tg) of soft phase is controlled by the hydrogen bonding while the hard phase grows up from amorphous phase to crystalline phase as the BINA content increases. The addition of MDI-BDO promotes the formation of amorphous hard phase. PUPys have high shape fixity and high shape recovery with the recovery temperature of 45 °C-55 °C. To achieve satisfying shape recovery, 30wt% BINA contents are required. The addition of MDI-BDO improves the shape recovery force. In addition, PUPys have high moisture absorption which increases with the increase of temperature, relative humidity, BINA content as well as the decrease of MDI-BDO content. The final shape recovery decreases with the decrease of BINA content significantly and the strain recovery start time, strain recovery time, strain recovery end time and the time length are also short in the higher BINA content PUPys. Moreover, it is found that the low critical value of BINA unit for PUPys having moisture-sensitive SME is still 30wt%. The addition of MDI-BDO improves the moisture-sensitive shape recovery. Finally, it is proposed that the hydrogen bonding present in the pyridine ring serves as "switch" whereas the formed hard phase via hydrogen bonding present in the urethane groups acts as the physical netpoints for the both

  8. Identification of Novel Phenyl Butenonyl C-Glycosides with Ureidyl and Sulfonamidyl Moieties as Antimalarial Agents

    PubMed Central

    2014-01-01

    A new series of C-linked phenyl butenonyl glycosides bearing ureidyl(thioureidyl) and sulfonamidyl moieties in the phenyl rings were designed, synthesized, and evaluated for their in vitro antimalarial activities against Plasmodium falciparum 3D7 (CQ sensitive) and K1 (CQ resistant) strains. Among all the compounds screened the C-linked phenyl butenonyl glycosides bearing sulfonamidyl moiety (5a) and ureidyl moiety in the phenyl ring (7d and 8c) showed promising antimalarial activities against both 3D7 and K1 strains with IC50 values in micromolar range and low cytotoxicity offering new HITS for further exploration. PMID:25147607

  9. Attachment of second harmonic-active moiety to molecules for detection of molecules at interfaces

    DOEpatents

    Salafsky, Joshua S.; Eisenthal, Kenneth B.

    2005-10-11

    This invention provides methods of detecting molecules at an interface, which comprise labeling the molecules with a second harmonic-active moiety and detecting the labeled molecules at the interface using a surface selective technique. The invention also provides methods for detecting a molecule in a medium and for determining the orientation of a molecular species within a planar surface using a second harmonic-active moiety and a surface selective technique.

  10. Technical writing versus technical writing

    NASA Technical Reports Server (NTRS)

    Dillingham, J. W.

    1981-01-01

    Two terms, two job categories, 'technical writer' and 'technical author' are discussed in terms of industrial and business requirements and standards. A distinction between 'technical writing' and technical 'writing' is made. The term 'technical editor' is also considered. Problems inherent in the design of programs to prepare and train students for these jobs are discussed. A closer alliance between industry and academia is suggested as a means of preparing students with competent technical communication skills (especially writing and editing skills) and good technical skills.

  11. Technical Shibboleths.

    ERIC Educational Resources Information Center

    Harris, John S.

    1998-01-01

    Focuses on technical sub-languages to reveal sociological functions of language that transcend mere transfer of substantive information. Finds one sociological feature, the shibboleth, acting widely throughout technical fields. (PA)

  12. Substituent effects on the properties of photochromic hybrid diarylethenes with a naphthalene moiety.

    PubMed

    Wang, Renjie; Dong, Xiaorong; Pu, Shouzhi; Liu, Gang

    2015-02-25

    Four new unsymmetrical photochromic diarylethenes bearing both naphthalene and thiophene moieties were synthesized, and the structures of two diarylethenes were determined by single-crystal X-ray diffraction analysis. The naphthalene ring was connected directly to the central perfluorocyclopentene ring as an aryl moiety and available to participate in photoisomerization reaction. All the diarylethenes exhibited favorable photochromism and functioned as fluorescence switches in both solution and poly(methyl methacrylate) films. The electron-withdrawing substituent significantly shifted the absorption maxima to a longer wavelength and evidently suppressed the cycloreversion quantum yield, whereas the electron-donating substituents enhanced the fluorescence quantum yield of diarylethenes with a naphthalene moiety. Furthermore, cyclic voltammograms suggested that the oxidation onsets and band-gaps of the open-ring isomers were much bigger than those of the closed-ring isomers. The results indicated that the substituents at the 5-position of thiophene ring could availably modulate their optical and electrochemical behaviors. PMID:25305614

  13. Substituent effects on the properties of photochromic hybrid diarylethenes with a naphthalene moiety

    NASA Astrophysics Data System (ADS)

    Wang, Renjie; Dong, Xiaorong; Pu, Shouzhi; Liu, Gang

    2015-02-01

    Four new unsymmetrical photochromic diarylethenes bearing both naphthalene and thiophene moieties were synthesized, and the structures of two diarylethenes were determined by single-crystal X-ray diffraction analysis. The naphthalene ring was connected directly to the central perfluorocyclopentene ring as an aryl moiety and available to participate in photoisomerization reaction. All the diarylethenes exhibited favorable photochromism and functioned as fluorescence switches in both solution and poly(methyl methacrylate) films. The electron-withdrawing substituent significantly shifted the absorption maxima to a longer wavelength and evidently suppressed the cycloreversion quantum yield, whereas the electron-donating substituents enhanced the fluorescence quantum yield of diarylethenes with a naphthalene moiety. Furthermore, cyclic voltammograms suggested that the oxidation onsets and band-gaps of the open-ring isomers were much bigger than those of the closed-ring isomers. The results indicated that the substituents at the 5-position of thiophene ring could availably modulate their optical and electrochemical behaviors.

  14. Fluorescent Sensing of Guanine and Guanosine Monophosphate with Conjugated Receptors Incorporating Aniline and Naphthyridine Moieties.

    PubMed

    Lu, Shao-Hung; Phang, Riping; Fang, Jim-Min

    2016-04-15

    Ethyne-linked naphthyridine-aniline conjugated molecules are selective sensors of decylguanine in dichloromethane and guanosine monophosphate in water (Kass = 16 000 M(-1)). The 2-acetamido-1,8-naphthyridine moiety binds with guanine in a DAA-ADD triply hydrogen-bonded motif. The aniline moiety enhances an electron-donating effect, and the substituent is tuned to attain extra hydrogen bonds, π-π stacking, and electrostatic interactions. The proposed binding modes are supported by a Job plot, ESI-MS, (1)H NMR, UV-vis, and fluorescence spectral analyses. PMID:27018895

  15. Synthesis and Biological Evaluation of a Valinomycin Analog Bearing a Pentafluorophenyl Active Ester Moiety.

    PubMed

    D'Accolti, Lucia; Denora, Nunzio; La Piana, Gianluigi; Marzulli, Domenico; Siwy, Zuzanna S; Fusco, Caterina; Annese, Cosimo

    2015-12-18

    A valuable analog of the K(+)-ionophore valinomycin (1), bearing a pentafluorophenyl ester moiety, has been obtained by selective reaction between the tertiary hydroxyl moiety of analog 2 (available from valinomycin hydroxylation) and the isocyanate group of pentafluorophenyl N-carbonyl glycinate (3) catalyzed by bis(N,N-dimethylformamide)dichlorodioxomolybdenum(VI). LC-HRMS studies show that analog 4 undergoes easy derivatization under mild conditions by reaction with OH- and NH2-containing compounds. Mitochondrial depolarization assays suggest that 4 acts as a K(+)-ionophore, provided that the glycine carboxyl group is appropriately masked. PMID:26566090

  16. Synthesis and carbonic anhydrase inhibitory effects of new N-glycosylsulfonamides incorporating the phenol moiety.

    PubMed

    Riafrecha, Leonardo E; Bua, Silvia; Supuran, Claudiu T; Colinas, Pedro A

    2016-08-15

    A small series of N-glycosylsulfonamides incorporating the phenol moiety has been prepared by Ferrier sulfonamidoglycosylation of d-glycals. N-Glycosides were tested for the inhibition of four isoforms of carbonic anhydrase. In this study, all compounds showed good inhibitory activity against hCA I and II, with selectivity against the cytosolic hCA II versus the tumor associated isozymes. These results confirm that attaching carbohydrate moieties to CA phenol pharmacophore improves and enhances its inhibitory activity. PMID:27423482

  17. Systemic delivery of messenger RNA for the treatment of pancreatic cancer using polyplex nanomicelles with a cholesterol moiety.

    PubMed

    Uchida, Satoshi; Kinoh, Hiroaki; Ishii, Takehiko; Matsui, Akitsugu; Tockary, Theofilus Agrios; Takeda, Kaori Machitani; Uchida, Hirokuni; Osada, Kensuke; Itaka, Keiji; Kataoka, Kazunori

    2016-03-01

    Systemic delivery of messenger RNA (mRNA) is technically challenging because mRNA is highly susceptible to enzymatic degradation in the blood circulation. In this study, we used a nanomicelle-based platform, prepared from mRNA and poly(ethylene glycol) (PEG)-polycation block copolymers. A cholesterol (Chol) moiety was attached to the ω-terminus of the block copolymer to increase the stability of the nanomicelle by hydrophobic interaction. After in vitro screening, polyaspartamide with four aminoethylene repeats in its side chain (PAsp(TEP)) was selected as the cationic segment of the block copolymer, because it contributes to enhance nuclease resistance and high protein expression from the mRNA. After intravenous injection, PEG-PAsp(TEP)-Chol nanomicelles showed significantly enhanced blood retention of mRNA in comparison to nanomicelles without Chol. We used the nanomicelles for treating intractable pancreatic cancer in a subcutaneous inoculation mouse model through the delivery of mRNA encoding an anti-angiogenic protein (sFlt-1). PEG-PAsp(TEP)-Chol nanomicelles generated efficient protein expression from the delivered mRNA in tumor tissue, resulting in remarkable inhibition of the tumor growth, whereas nanomicelles without Chol failed to show a detectable therapeutic effect. In conclusion, the stabilized nanomicelle system led to the successful systemic delivery of mRNA in therapeutic application, holding great promise for the treatment of various diseases. PMID:26763736

  18. Fluoride-induced modulation of ionic transport in asymmetric nanopores functionalized with ``caged'' fluorescein moieties

    NASA Astrophysics Data System (ADS)

    Ali, Mubarak; Ahmed, Ishtiaq; Ramirez, Patricio; Nasir, Saima; Cervera, Javier; Niemeyer, Christof M.; Ensinger, Wolfgang

    2016-04-01

    We demonstrate experimentally and theoretically a nanofluidic fluoride sensing device based on a single conical pore functionalized with ``caged'' fluorescein moieties. The nanopore functionalization is based on an amine-terminated fluorescein whose phenolic hydroxyl groups are protected with tert-butyldiphenylsilyl (TBDPS) moieties. The protected fluorescein (Fcn-TBDPS-NH2) molecules are then immobilized on the nanopore surface via carbodiimide coupling chemistry. Exposure to fluoride ions removes the uncharged TBDPS moieties due to the fluoride-promoted cleavage of the silicon-oxygen bond, leading to the generation of negatively charged groups on the fluorescein moieties immobilized onto the pore surface. The asymmetrical distribution of these groups along the conical nanopore leads to the electrical rectification observed in the current-voltage (I-V) curve. On the contrary, other halides and anions are not able to induce any significant ionic rectification in the asymmetric pore. In each case, the success of the chemical functionalization and deprotection reactions is monitored through the changes observed in the I-V curves before and after the specified reaction step. The theoretical results based on the Nernst-Planck and Poisson equations further demonstrate the validity of an experimental approach to fluoride-induced modulation of nanopore current rectification behaviour.

  19. The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters

    SciTech Connect

    Wang, Haopeng; Jae Ko, Yeon; Zhang, Xinxing; Gantefoer, Gerd; Bowen, Kit H. E-mail: akandalam@wcupa.edu; Schnoeckel, Hansgeorg; Eichhorn, Bryan W.; Jena, Puru; Kiran, Boggavarapu E-mail: akandalam@wcupa.edu; Kandalam, Anil K. E-mail: akandalam@wcupa.edu

    2014-03-28

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have investigated the extent to which the aluminum moieties within selected magnesium-aluminum clusters are Zintl anions. Magnesium-aluminum cluster anions were generated in a pulsed arc discharge source. After mass selection, photoelectron spectra of Mg{sub m}Al{sub n}{sup −} (m, n = 1,6; 2,5; 2,12; and 3,11) were measured by a magnetic bottle, electron energy analyzer. Calculations on these four stoichiometries provided geometric structures and full charge analyses for the cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra). Calculations revealed that, unlike the cases of recently reported sodium-aluminum clusters, the formation of aluminum Zintl anion moieties within magnesium-aluminum clusters was limited in most cases by weak charge transfer between the magnesium atoms and their aluminum cluster moieties. Only in cases of high magnesium content, e.g., in Mg{sub 3}Al{sub 11} and Mg{sub 2}Al{sub 12}{sup −}, did the aluminum moieties exhibit Zintl anion-like characteristics.

  20. Arsenic moiety in gallium arsenide is responsible for neuronal apoptosis and behavioral alterations in rats

    SciTech Connect

    Flora, Swaran J.S. Bhatt, Kapil; Mehta, Ashish

    2009-10-15

    Gallium arsenide (GaAs), an intermetallic semiconductor finds widespread applications in high frequency microwave and millimeter wave, and ultra fast supercomputers. Extensive use of GaAs has led to increased exposure to humans working in semiconductor industry. GaAs has the ability to dissociate into its constitutive moieties at physiological pH and might be responsible for the oxidative stress. The present study was aimed at evaluating, the principle moiety (Ga or As) in GaAs to cause neurological dysfunction based on its ability to cause apoptosis, in vivo and in vitro and if this neuronal dysfunction translated to neurobehavioral changes in chronically exposed rats. Result indicated that arsenic moiety in GaAs was mainly responsible for causing oxidative stress via increased reactive oxygen species (ROS) and nitric oxide (NO) generation, both in vitro and in vivo. Increased ROS further caused apoptosis via mitochondrial driven pathway. Effects of oxidative stress were also confirmed based on alterations in antioxidant enzymes, GPx, GST and SOD in rat brain. We noted that ROS induced oxidative stress caused changes in the brain neurotransmitter levels, Acetylcholinesterase and nitric oxide synthase, leading to loss of memory and learning in rats. The study demonstrates for the first time that the slow release of arsenic moiety from GaAs is mainly responsible for oxidative stress induced apoptosis in neuronal cells causing behavioral changes.

  1. The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters.

    PubMed

    Wang, Haopeng; Ko, Yeon Jae; Zhang, Xinxing; Gantefoer, Gerd; Schnoeckel, Hansgeorg; Eichhorn, Bryan W; Jena, Puru; Kiran, Boggavarapu; Kandalam, Anil K; Bowen, Kit H

    2014-03-28

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have investigated the extent to which the aluminum moieties within selected magnesium-aluminum clusters are Zintl anions. Magnesium-aluminum cluster anions were generated in a pulsed arc discharge source. After mass selection, photoelectron spectra of MgmAln (-) (m, n = 1,6; 2,5; 2,12; and 3,11) were measured by a magnetic bottle, electron energy analyzer. Calculations on these four stoichiometries provided geometric structures and full charge analyses for the cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra). Calculations revealed that, unlike the cases of recently reported sodium-aluminum clusters, the formation of aluminum Zintl anion moieties within magnesium-aluminum clusters was limited in most cases by weak charge transfer between the magnesium atoms and their aluminum cluster moieties. Only in cases of high magnesium content, e.g., in Mg3Al11 and Mg2Al12 (-), did the aluminum moieties exhibit Zintl anion-like characteristics. PMID:24697443

  2. The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters

    NASA Astrophysics Data System (ADS)

    Wang, Haopeng; Jae Ko, Yeon; Zhang, Xinxing; Gantefoer, Gerd; Schnoeckel, Hansgeorg; Eichhorn, Bryan W.; Jena, Puru; Kiran, Boggavarapu; Kandalam, Anil K.; Bowen, Kit H.

    2014-03-01

    Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have investigated the extent to which the aluminum moieties within selected magnesium-aluminum clusters are Zintl anions. Magnesium-aluminum cluster anions were generated in a pulsed arc discharge source. After mass selection, photoelectron spectra of MgmAln- (m, n = 1,6; 2,5; 2,12; and 3,11) were measured by a magnetic bottle, electron energy analyzer. Calculations on these four stoichiometries provided geometric structures and full charge analyses for the cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra). Calculations revealed that, unlike the cases of recently reported sodium-aluminum clusters, the formation of aluminum Zintl anion moieties within magnesium-aluminum clusters was limited in most cases by weak charge transfer between the magnesium atoms and their aluminum cluster moieties. Only in cases of high magnesium content, e.g., in Mg3Al11 and Mg2Al12-, did the aluminum moieties exhibit Zintl anion-like characteristics.

  3. Electrochemical analysis of proton and electron transfer equilibria of the reducible moieties in humic acids.

    PubMed

    Aeschbacher, Michael; Vergari, Daniele; Schwarzenbach, René P; Sander, Michael

    2011-10-01

    Humic substances play a key role in biogeochemical and pollutant redox reactions. The objective of this work was to characterize the proton and electron transfer equilibria of the reducible moieties in different humic acids (HA). Cyclic voltammetry experiments demonstrated that diquat and ethylviologen mediated electron transfer between carbon working electrodes and HA. These compounds were used also to facilitate attainment of redox equilibria between redox electrodes and HA in potentiometric E(h) measurements. Bulk electrolysis of HA combined with pH-stat acid titration demonstrated that electron transfer to the reducible moieties in HA also resulted in proton uptake, suggesting decreasing reduction potentials E(h) of HA with increasing pH. This was confirmed by potentiometric E(h)-pH titrations of HA at different redox states. E(h) measurements of HA samples prereduced to different redox states by bulk electrolysis revealed reducible moieties in HA that cover a wide range of apparent standard reduction potentials at pH 7 from E(h)(0)* = +0.15 to -0.3 V. Modeling revealed an overall increase in the relative abundance of reducible moieties with decreasing E(h). The wide range of HA is consistent with its involvement in numerous environmental electron transfer reactions under various redox conditions. PMID:21823669

  4. Fluoride-induced modulation of ionic transport in asymmetric nanopores functionalized with "caged" fluorescein moieties.

    PubMed

    Ali, Mubarak; Ahmed, Ishtiaq; Ramirez, Patricio; Nasir, Saima; Cervera, Javier; Niemeyer, Christof M; Ensinger, Wolfgang

    2016-04-28

    We demonstrate experimentally and theoretically a nanofluidic fluoride sensing device based on a single conical pore functionalized with "caged" fluorescein moieties. The nanopore functionalization is based on an amine-terminated fluorescein whose phenolic hydroxyl groups are protected with tert-butyldiphenylsilyl (TBDPS) moieties. The protected fluorescein (Fcn-TBDPS-NH2) molecules are then immobilized on the nanopore surface via carbodiimide coupling chemistry. Exposure to fluoride ions removes the uncharged TBDPS moieties due to the fluoride-promoted cleavage of the silicon-oxygen bond, leading to the generation of negatively charged groups on the fluorescein moieties immobilized onto the pore surface. The asymmetrical distribution of these groups along the conical nanopore leads to the electrical rectification observed in the current-voltage (I-V) curve. On the contrary, other halides and anions are not able to induce any significant ionic rectification in the asymmetric pore. In each case, the success of the chemical functionalization and deprotection reactions is monitored through the changes observed in the I-V curves before and after the specified reaction step. The theoretical results based on the Nernst-Planck and Poisson equations further demonstrate the validity of an experimental approach to fluoride-induced modulation of nanopore current rectification behaviour. PMID:27050623

  5. Isolated hydatid cyst in a single moiety of an incomplete duplex kidney.

    PubMed

    Priyadarshi, Vinod; Mishra, Shwetank; Bera, Malay Kumar; Pal, Dilip Kumar

    2015-01-01

    Isolated hydatid cyst of kidney is very rare. Hydatid cyst of a duplex renal system is even more rare. We report a 13-year old girl with duplex system of right kidney with isolated hydatid cyst in upper moiety. Right nephrectomy was done to cure the condition. PMID:25628991

  6. Can a Non-Chiral Object Be Made of Two Identical Chiral Moieties?

    ERIC Educational Resources Information Center

    LeMarechal, Jean Francois

    2008-01-01

    Several pedagogical objects can be used to discuss chirality. Here, we use the cut of an apple to show that the association of identical chiral moieties can form a non-chiral object. Octahedral chirality is used to find situations equivalent to the cut of the apple. (Contains 5 figures.)

  7. {sup 31}P NMR analysis of coal moieties bearing -OH, -NH, and -SH functions. Final technical report

    SciTech Connect

    Verkade, J.G.

    1991-08-31

    NMR reagents for the speciation and quantitation of labile-hydrogen functional groups and sulfur groups in coal ligands have been synthesized and evaluated. These reagents, which contain the NMR-active nuclei {sup 31}p, {sup 119}Sn or {sup 195}pt, were designed to possess improved chemical shift resolution over reagents reported in the literature. Our efforts were successful in the case of the new {sup 31}p and {sup 119}Sn reagents we developed, but the {sup 195}pt work on sulfur groups was only partially successful in as much as the grant came to a close and was not renewed. Our success with {sup 31}P and {sup 119}Sn NMR reagents came to the attention of Amoco and they have recently expressed interest in further supporting that work. A further measure of the success of our efforts can be seen in the nine publications supported by this grant which are cited in the reference list.

  8. Technical Guid

    NASA Astrophysics Data System (ADS)

    Tanasescu, F. T.; Stanciu, V.; Nitu, V.; Nitu, C.

    The book contains the most important informations from Physics,Mechanics,Heat,Electromagnetism, Nuclear Physics as well as tables with values for physical and technical Quantities. The book is designed especially for engineers, but could be useful for physicists

  9. Synthesis and biological properties of amino acids and peptides containing a tetrazolyl moiety

    NASA Astrophysics Data System (ADS)

    Popova, E. A.; Trifonov, R. E.

    2015-09-01

    Literature data published mainly in the last 15 years on the synthesis and biological properties of amino acid analogues and derivatives containing tetrazolyl moieties are analyzed. Tetrazolyl analogues and derivatives of amino acids and peptides are shown to be promising for medicinal chemistry. Being polynitrogen heterocyclic systems comprising four endocyclic nitrogen atoms, tetrazoles can behave as acids and bases and form strong hydrogen bonds with proton donors (more rarely, with acceptors). They have high metabolic stability and are able to penetrate biological membranes. The review also considers the synthesis and properties of linear and cyclic peptides based on modified amino acids incorporating a tetrazolyl moiety. A special issue is the discussion of the biological properties of tetrazole-containing amino acids and peptides, which exhibit high biological activity and can be used to design new drugs. The bibliography includes 200 references.

  10. Synthesis and anticholinesterase activity of coumarin-3-carboxamides bearing tryptamine moiety.

    PubMed

    Ghanei-Nasab, Samaneh; Khoobi, Mehdi; Hadizadeh, Farzin; Marjani, Azam; Moradi, Alireza; Nadri, Hamid; Emami, Saeed; Foroumadi, Alireza; Shafiee, Abbas

    2016-10-01

    A number of N-(2-(1H-indol-3-yl)ethyl)-2-oxo-2H-chromene-3-carboxamides were synthesized and tested against AChE and BuChE. The in vitro assessment of the synthesized compounds 4a-o revealed that most of them had significant activity toward AChE. The SAR study demonstrated that the introduction of benzyloxy moiety on the 7-position of coumarin scaffold can improve the anti-AChE activity. The best result was obtained with 7-(4-fluorobenzyl)oxy moiety in the case of compound 4o, displaying IC50 value of 0.16 μM. Based on the docking study of AChE, the prototype compound 4o was laid across the active site and occupied both peripheral anionic site (PAS) and catalytic anionic site (CAS). PMID:27214510

  11. New insights into the effects of the protein moiety of oxidized LDL (oxLDL).

    PubMed

    Vicca, Stéphanie; Massy, Ziad A; Hennequin, Carole; Rihane, Djamel; Nguyen-Khoa, Thao; Drüeke, Tilman B; Lacour, Bernard

    2003-05-01

    Oxidative stress has been implicated in the cardiovascular complications in chronic renal failure patients. Lipoprotein oxidation is involved in the genesis of atherosclerosis. Both the lipid and the protein moieties of low-density lipoproteins (LDL) are subject to oxidation. We have shown that oxidation of LDL by hypochlorous acid (HOCl) in vitro, reflecting increased myeloperoxidase (MPO) activity in vivo, leads mainly to modifications of apolipoproteins, such that the latter in turn induce high rates of apoptosis in a human monocytic cell line via a caspase-dependent pathway. These in vitro oxidative changes of LDL protein moiety, if shown to occur to a significant extent in uremic patients in vivo, may represent an important pathway in the pathogenesis of atherogenesis. PMID:12694326

  12. Decisive Interactions between the Heterocyclic Moiety and the Cluster Observed in Polyoxometalate-Surfactant Hybrid Crystals

    PubMed Central

    Otobe, Saki; Fujioka, Natsumi; Hirano, Takuro; Ishikawa, Eri; Naruke, Haruo; Fujio, Katsuhiko; Ito, Takeru

    2015-01-01

    Inorganic-organic hybrid crystals were successfully obtained as single crystals by using polyoxotungstate anion and cationic dodecylpyridazinium (C12pda) and dodecylpyridinium (C12py) surfactants. The decatungstate (W10) anion was used as the inorganic component, and the crystal structures were compared. In the crystal comprising C12pda (C12pda-W10), the heterocyclic moiety directly interacted with W10, which contributed to a build-up of the crystal structure. On the other hand, the crystal consisting of C12py (C12py-W10) had similar crystal packing and molecular arrangement to those in the W10 crystal hybridized with other pyridinium surfactants. These results indicate the significance of the heterocyclic moiety of the surfactant to construct hybrid crystals with polyoxometalate anions. PMID:25894221

  13. Novel immobilization of a quaternary ammonium moiety on keratin fibers for medical applications.

    PubMed

    Yu, Dan; Cai, Jackie Y; Liu, Xin; Church, Jeffrey S; Wang, Lijing

    2014-09-01

    This paper introduces a new approach for immobilizing a quaternary ammonium moiety on a keratinous substrate for enhanced medical applications. The method involves the generation of thiols by controlled reduction of cystine disulfide bonds in the keratin, followed by reaction with [2-(acryloyloxy)ethyl]trimethylammonium chloride through thiol-ene click chemistry. The modified substrate was characterized with Raman and infrared spectroscopy, and assessed for its antibacterial efficacy and other performance changes. The results have demonstrated that the quaternary ammonium moiety has been effectively attached onto the keratin structure, and the resultant keratin substrate exhibits a multifunctional effect including antibacterial and antistatic properties, improved liquid moisture management property, improved dyeability and a non-leaching characteristic of the treated substrate. PMID:24971553

  14. Bilateral obstruction of bilaterally duplicated collecting systems requiring upper and lower moiety drainage.

    PubMed

    Lynch, J O; Cox, A; Rawal, B; Shelmerdine, S; Vasdev, N; Patel, A

    2016-04-01

    A 60-year-old woman with a history of breast cancer presented with bilateral obstruction of bilaterally duplicated renal collecting systems secondary to extrinsic compression from metastatic pelvic lymphadenopathy. Bilateral JJ ureteric stents were inserted, resulting in some improvement of renal function but a failure to normalise completely. Repeat computed tomography demonstrated bilateral duplex collecting systems with persisting obstruction of the undrained moieties. Selective puncture was performed to decompress the obstructed renal moieties for bilateral nephrostomy catheter insertion. This allowed renal function to improve sufficiently for the patient to be discharged and commence chemotherapy. This is the first reported case of bilaterally obstructed partially duplicated collecting systems and it illustrates the importance of recognising anatomical variants to tailor treatment appropriately. It also highlights the important relationship between urology and interventional radiology in the management of such complex patients. PMID:26985816

  15. Synthesis and properties of dicationic ionic liquids containing a siloxane structural moiety

    NASA Astrophysics Data System (ADS)

    Glukhov, L. M.; Krasovskiy, V. G.; Chernikova, E. A.; Kapustin, G. I.; Kustov, L. M.; Koroteev, A. A.

    2015-12-01

    Five new ionic liquids formed by doubly charged cations containing a siloxane moiety and bis(trifluoromethylsulfonyl) imide anion are synthesized and characterized. Their thermal stability is studied by means of TGA; melting points (glass transition temperatures) and densities are measured. The temperature dependences of kinematic viscosity of the obtained ionic liquids are presented along with their approximations by the Vogel-Tammann-Fulcher equation.

  16. The unprecedented J-aggregate formation of rhodamine moieties induced by 9-phenylanthracenyl substitution.

    PubMed

    Kim, Sooyeon; Fujitsuka, Mamoru; Tohnai, Norimitsu; Tachikawa, Takashi; Hisaki, Ichiro; Miyata, Mikiji; Majima, Tetsuro

    2015-07-25

    We report a substitution of 9-phenylanthracenyl group into rhodamine derivatives that can induce the J-aggregate formation of rhodamine moieties in the aqueous solution upon the addition of a halide ion. From X-ray crystallographic analysis, the dramatic red-shift in the absorption band (i.e. app. 100 nm) originates from the cooperative slipped-stacking of rhodamine and anthracene molecules. PMID:26095853

  17. Effects of organic moieties on the photoluminescence spectra of perovskite-type tin bromide based compounds

    NASA Astrophysics Data System (ADS)

    Papavassiliou, George C.; Vidali, Maria-Sofia; Pagona, Georgia; Mousdis, George A.; Karousis, Nikolaos; Koutselas, Ioannis

    2015-04-01

    The photoluminescence (PL) and optical absorption (OA) spectra of some compounds of the type (SC)SnBr3, (BC)2SnBr4, and (SC)(BC)2Sn2Br7 (where SC is CH3NH3 + or Cs+; BC is C4H9NH3 + ,CH3C6H4CH2NH3 + ,C12H25NH3 + ,C18H37NH3 + and 1-naphthylmethyl ammonium group), in the forms of thin deposits on several substrates, are investigated. Generally, using the 350 nm as excitation line, the obtained PL spectra of compounds of the type (BC)2SnBr4 with short alkyl chain-length in the alkyl ammonium moiety, show broad and strong bands. For example, the PL spectra of compound (C4H9NH3)2SnBr4 exhibit a weak band at ca 475 nm, attributed to free-excitons and a broad and strong band at ca 570 nm, attributed to radiative decay of self-trapped excitons in the inorganic moiety. This is a bright yellow-orange emission, which can be seen by naked eye, even at room temperature. In the case of the compounds with long alkyl chain-length in the alkyl ammonium moiety, the PL spectra are dominated by an excitonic band, which occurs close to the corresponding fundamental OA edge. The PL spectrum of (1-naphthylmethyl ammonium)2SnBr4 shows the strong red band with main maxima at ca 603 and 642 nm, arising from tetramers of naphthyl moieties. Also, the PL spectra of the compounds of the type (SC)SnBr3 and (SC)(BC)2Sn2Br7, after grinding, show strong bands at 600-620 nm.

  18. A Phage Display Screening Derived Peptide with Affinity for the Adeninyl Moiety

    PubMed Central

    Elmlund, Louise; Söderberg, Pernilla; Suriyanarayanan, Subramanian; Nicholls, Ian A.

    2014-01-01

    Phage display screening of a surface-immobilized adenine derivative led to the identification of a heptameric peptide with selectivity for adenine as demonstrated through quartz crystal microbalance (QCM) studies. The peptide demonstrated a concentration dependent affinity for an adeninyl moiety decorated surface (KD of 968 ± 53.3 μM), which highlights the power of piezoelectric sensing in the study of weak interactions. PMID:25587414

  19. Synthesis and antifungal activity of novel triazole compounds containing piperazine moiety.

    PubMed

    Wang, Yanwei; Xu, Kehan; Bai, Guojing; Huang, Lei; Wu, Qiuye; Pan, Weihua; Yu, Shichong

    2014-01-01

    Design and synthesis of triazole library antifungal agents having piperazine side chains, analogues to fluconazole were documented. The synthesis highlighted utilization of the click chemistry on the basis of the active site of the cytochrome P450 14α-demethylase (CYP51). Their structures were characterized by (1)H-NMR, (13)C-NMR, MS and IR. The influences of piperazine moiety on in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi. PMID:25090121

  20. Identifying all moiety conservation laws in genome-scale metabolic networks.

    PubMed

    De Martino, Andrea; De Martino, Daniele; Mulet, Roberto; Pagnani, Andrea

    2014-01-01

    The stoichiometry of a metabolic network gives rise to a set of conservation laws for the aggregate level of specific pools of metabolites, which, on one hand, pose dynamical constraints that cross-link the variations of metabolite concentrations and, on the other, provide key insight into a cell's metabolic production capabilities. When the conserved quantity identifies with a chemical moiety, extracting all such conservation laws from the stoichiometry amounts to finding all non-negative integer solutions of a linear system, a programming problem known to be NP-hard. We present an efficient strategy to compute the complete set of integer conservation laws of a genome-scale stoichiometric matrix, also providing a certificate for correctness and maximality of the solution. Our method is deployed for the analysis of moiety conservation relationships in two large-scale reconstructions of the metabolism of the bacterium E. coli, in six tissue-specific human metabolic networks, and, finally, in the human reactome as a whole, revealing that bacterial metabolism could be evolutionarily designed to cover broader production spectra than human metabolism. Convergence to the full set of moiety conservation laws in each case is achieved in extremely reduced computing times. In addition, we uncover a scaling relation that links the size of the independent pool basis to the number of metabolites, for which we present an analytical explanation. PMID:24988199

  1. Identifying All Moiety Conservation Laws in Genome-Scale Metabolic Networks

    PubMed Central

    2014-01-01

    The stoichiometry of a metabolic network gives rise to a set of conservation laws for the aggregate level of specific pools of metabolites, which, on one hand, pose dynamical constraints that cross-link the variations of metabolite concentrations and, on the other, provide key insight into a cell's metabolic production capabilities. When the conserved quantity identifies with a chemical moiety, extracting all such conservation laws from the stoichiometry amounts to finding all non-negative integer solutions of a linear system, a programming problem known to be NP-hard. We present an efficient strategy to compute the complete set of integer conservation laws of a genome-scale stoichiometric matrix, also providing a certificate for correctness and maximality of the solution. Our method is deployed for the analysis of moiety conservation relationships in two large-scale reconstructions of the metabolism of the bacterium E. coli, in six tissue-specific human metabolic networks, and, finally, in the human reactome as a whole, revealing that bacterial metabolism could be evolutionarily designed to cover broader production spectra than human metabolism. Convergence to the full set of moiety conservation laws in each case is achieved in extremely reduced computing times. In addition, we uncover a scaling relation that links the size of the independent pool basis to the number of metabolites, for which we present an analytical explanation. PMID:24988199

  2. Threading moieties play a significant role in determining the DNA binding properties of binuclear ruthenium complexes

    NASA Astrophysics Data System (ADS)

    Paramanathan, Thayaparan; Clark, Andrew; Westerlund, Fredrik; Lincoln, Per; McCauley, Micah J.; Rouzina, Ioulia; Williams, Mark C.

    2015-03-01

    Binuclear ruthenium complexes are of interest due to their selective DNA binding properties, which make them potential candidates for chemotherapy. These dumbbell shaped molecules have to thread through the DNA base pairs to reach their final threaded intercalation state. Here we study the binuclear ruthenium complex, ΔΔ -[ μ-bidppz(bpy)4Ru2]4+ and compare it with the previously studied ΔΔ -[ μ-bidppz(phen)4Ru2]4+. Both have the same intercalating bridge unit, but different threading moieties. In this study, we stretch a single DNA molecule held with optical tweezers in the presence of the ligand at various concentrations and hold the DNA at constant force until an equilibrium DNA elongation is reached. The extension of the DNA obtained as a function of time during binding yields the kinetics and equilibrium binding properties of the ligand. The preliminary data suggests that the binuclear complex with bpy in the threading moiety shows stronger affinity and an order of magnitude faster on rate, compared to its counterpart with phen in the threading moiety. This confirms the hypothesis that the extra aromatic ring of phen interferes with the threading intercalation process.

  3. Lactobacillus rhamnosus GG SpaC pilin subunit binds to the carbohydrate moieties of intestinal glycoconjugates.

    PubMed

    Nishiyama, Keita; Ueno, Shintaro; Sugiyama, Makoto; Yamamoto, Yuji; Mukai, Takao

    2016-06-01

    Lactobacillus rhamnosus GG (LGG) is a well-established probiotic strain. The beneficial properties of this strain are partially dependent on its prolonged residence in the gastrointestinal tract, and are likely influenced by its adhesion to the intestinal mucosa. The pilin SpaC subunit, located within the Spa pili structure, is the most well studied LGG adhesion factor. However, the binding epitopes of SpaC remain largely unknown. The aim of this study was to evaluate the binding properties of SpaC to the carbohydrate moieties of intestinal glycoconjugates using a recombinant SpaC protein. In a competitive enzyme-linked immunosorbent assay, SpaC binding was markedly reduced by addition of purified mucin and the mucin oligosaccharide fraction. Histochemical staining revealed that the binding of SpaC was drastically reduced by periodic acid treatment. Moreover, in the surface plasmon resonance-based Biacore assay, SpaC bound strongly to the carbohydrate moieties containing β-galactoside at the non-reducing terminus of glycolipids. We here provide the first demonstration that SpaC binds to the oligosaccharide chains of mucins, and that the carbohydrate moieties containing β-galactoside at the non-reducing termini of glycoconjugates play a crucial role in this binding. Our results demonstrate the importance of carbohydrates of SpaC for mucus interactions. PMID:26434750

  4. Aglycones and sugar moieties alter anthocyanin absorption and metabolism after berry consumption in weanling pigs.

    PubMed

    Wu, Xianli; Pittman, Hoy E; McKay, Steve; Prior, Ronald L

    2005-10-01

    To investigate the absorption and metabolism of anthocyanins (ACNs) with different aglycones and sugar moieties, weanling pigs (11.4 +/- 3.8 kg) were fed, in a single meal, a freeze-dried powder of chokeberry, black currant, or elderberry at a single dose of 229, 140, or 228 mumol total ACN/kg body weight (BW), respectively. These berries provided ACNs with differences in aglycone as well as some unique differences in the sugar moieties. The relative proportions of the different metabolites depended upon concentrations, quantities consumed, and types of glycoside of ACNs in the berry. Delphinidin ACNs were not metabolized to any measurable extent. Cyanidin ACNs were metabolized via methylation and glucuronidation as well as by formation of both derivatives on the same ACN molecule. ACNs with either a di- or trisaccharide attached to them were excreted in the urine primarily as the intact form. Over 80% of the ACN compounds containing rutinose or sambubiose, which were excreted in the urine from black currant, elderberry, or Marion blackberry, were excreted as the intact molecule. The limited metabolism of these ACNs that did occur was via methylation. ACN monoglycosides other than the glucoside were metabolized via methylation and/or glucuronide formation. The monoglucuronide that formed represented a small proportion of the metabolites relative to the methylated or the mixed methylated and glucuronide forms of ACNs. The data clearly demonstrate that the aglycone and the sugar moieties can alter the apparent absorption and metabolism of ACNs. PMID:16177206

  5. Polymeric media comprising polybenzimidazoles N-substituted with organic-inorganic hybrid moiety

    DOEpatents

    Klaehn, John R [Idaho Falls, ID; Peterson, Eric S [Idaho Falls, ID; Wertsching, Alan K [Idaho Falls, ID; Orme, Christopher J [Shelley, ID; Luther, Thomas A [Idaho Falls, ID; Jones, Michael G [Pocatello, ID

    2009-12-15

    A PBI compound includes imidazole nitrogens at least a portion of which are substituted with an organic-inorganic hybrid moiety may be included in a separator medium. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2-- where R is selected from among methyl, phenyl, vinyl, and allyl. The separatory medium may exhibit an H.sub.2, Ar, N.sub.2, O.sub.2, CH.sub.3, or CO.sub.2 gas permeability greater than the gas permeability of a comparable separatory medium comprising the PBI compound without substitution. The separatory medium may further include an electronically conductive medium and/or ionically conductive medium. The separatory medium may be used as a membrane (semi-permeable, permeable, and non-permeable), a barrier, an ion exhcange media, a filter, a gas chromatography coating (such as stationary phase coating in affinity chromatography), etc.

  6. Peptide nanofibers modified with a protein by using designed anchor molecules bearing hydrophobic and functional moieties.

    PubMed

    Miyachi, Ayaka; Takahashi, Tsuyoshi; Matsumura, Sachiko; Mihara, Hisakazu

    2010-06-11

    Self-assembly of peptides and proteins is a key feature of biological functions. Short amphiphilic peptides designed with a beta-sheet structure can form sophisticated nanofiber structures, and the fibers are available as nanomaterials for arranging biomolecules. Peptide FI (H-PKFKIIEFEP-OH) self-assembles into nanofibers with a coiled fine structure, as reported in our previous work. We have constructed anchor molecules that have both a binding moiety for the fiber structure and a functional unit capable of capturing target molecules, with the purpose of arranging proteins on the designed peptide nanofibers. Designed anchors containing an alkyl chain as a binding unit and biotin as a functional moiety were found to bind to peptide fibers FI and F2i (H-ALEAKFAAFEAKLA-NH(2)). The surface-exposed biotin moiety on the fibers could capture an anti-biotin antibody. Moreover, hydrophobic dipeptide anchor units composed of iminodiacetate connected to Phe-Phe or Ile-Ile and a peptide composed of six histidine residues connected to biotin could also connect FI peptide fibers to the anti-biotin antibody through the chelation of Ni(2+) ions. This strategy of using designed anchors opens a novel approach to constructing nanoscale protein arrays on peptide nanomaterials. PMID:20419712

  7. Synthesis and antibacterial activity against ralstonia solanacearum for novel hydrazone derivatives containing a pyridine moiety

    PubMed Central

    2012-01-01

    Background Ralstonia solanacearum, one of the most important bacterial diseases on plants, is a devastating, soil-borne plant pathogen with a global distribution and an unusually wide host range. In order to discover new bioactive molecules and pesticides acting on tobacco bacterial wilt, we sought to combine the active structure of hydrazone and pyridine together to design and synthesize a series of novel hydrazone derivatives containing a pyridine moiety. Results A series of hydrazone derivatives containing a pyridine moiety were synthesized. Their structures were characterized by 1 H-NMR, 13 C-NMR, IR, and elemental analysis. The preliminary biological activity tests showed that compound 3e and 3g exhibited more than 80% activity against Ralstonia solanacearum at 500 mg/L, especially compound 3g displayed relatively good activity to reach 57.0% at 200 mg/L. Conclusion A practical synthetic route to hydrazone derivatives containing a pyridine moiety by the reaction of intermediates 2 with different aldehydes in ethanol at room temperature using 2-chloronicotinic acid and 2-amino-5-chloro-3-methylbenzoic acid as start materials is presented. This study suggests that the hydrazone derivatives containing a substituted pyridine ring could inhibit the growth of Ralstonia solanacearum. PMID:22483270

  8. Enrichment of humic material with hydroxybenzene moieties intensifies its physiological effects on the nematode Caenorhabditis elegans.

    PubMed

    Menzel, Ralph; Menzel, Stefanie; Tiedt, Sophie; Kubsch, Georg; Stösser, Reinhardt; Bährs, Hanno; Putschew, Anke; Saul, Nadine; Steinberg, Christian E W

    2011-10-15

    Dissolved humic substances are taken up by organisms and interact on various molecular and biochemical levels. In the nematode Caenorhabditis elegans, such material can promote longevity and increase its reproductive capacity; moreover, the worms tend to stay for longer in humic-enriched environments. Here, we tested the hypothesis that the chemical enrichment of humic substances with hydroxybenzene moieties intensifies these physiological effects. Based on the leonardite humic acid HuminFeed (HF), we followed a polycondensation reaction in which this natural humic substance and a dihydroxybenzene (hydroquinone or benzoquinone) served as reaction partners. Several analytical methods showed the formation of the corresponding copolymers. The chemical modification boosted the antioxidant properties of HF both in vitro and in vivo. Humic substances enriched with hydroxybenzene moieties caused a significantly increased tolerance to thermal stress in C. elegans and extended its lifespan. Exposed nematodes showed delayed linear growth and onset of reproduction and a stronger pumping activity of the pharynx. Thus, treated nematodes act younger than they really are. In this feature the modified HF replicated the biological impact of hydroquinone-homopolymers and various plant polyphenol monomers, thereby supporting the hydroxybenzene moieties of humic substances as major effective structures for the physiological effects observed in C. elegans. PMID:21902274

  9. Design, Synthesis, and Biological Evaluation of Ganglioside Hp-s1 Analogues Varying at Glucosyl Moiety.

    PubMed

    Hung, Jung-Tung; Yeh, Chun-Hong; Yang, Shih-An; Lin, Chiu-Ya; Tai, Hung-Ju; Shelke, Ganesh B; Reddy, Daggula Mallikarjuna; Yu, Alice L; Luo, Shun-Yuan

    2016-08-17

    Ganglioside Hp-s1 is isolated from the ovary of sea urchin Diadema setosum. It exhibited better neuritogenic activity than GM1 in pheochromocytoma 12 cells. To explore the roles of glucosyl moiety of Hp-s1 in contributing to the neurogenic activity, we developed feasible procedures for synthesis of Hp-s1 analogues (2a-2f). The glucosyl moiety of Hp-s1 was replaced with α-glucose, α-galactose, β-galactose, α-mannose, and β-mannose, and their biological activities on SH-SY5Y cells and natural killer T (NKT) cells were evaluated. We found that the orientation of C-2 hydroxyl group at glucosyl moiety of Hp-s1 plays an important role to induce neurite outgrowth of SH-SY5Y cells. Surprisingly, compound 2d could activate NKT cells to produce interleukin 2, although it did not show great activity on neurite outgrowth of SH-SY5Y cells. In general, the Hp-s1 might be considered as a lead compound for the development of novel drugs aimed at modulating the activity of neuronal cells. PMID:27276519

  10. Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds.

    PubMed

    Axerio-Cilies, Peter; Castañeda, Ivan P; Mirza, Amin; Reynisson, Jóhannes

    2009-03-01

    A database of 1070 marketed drug compounds was compiled and analyzed in order to assess the occurrence of moieties described in the literature as "undesirable" for high-throughput screening compound libraries due to their ability to perturb assay formats. The study revealed a total of 277 compounds, 26% of the database, contained at least one of the moieties. As some of the drug compounds contained more than one "undesirable" moiety, the total number was 352. Electrophilic reactive groups, particularly aliphatic esters, were the most abundant type with 55% of the total. Half of the drug compounds incorporating the "undesirable" moieties were synthetic organic molecules. These findings suggest that "undesirable" moieties do not pose a major hindrance during clinical trials, the most expensive phase of drug development. In addition, their early elimination in the preclinical stage excludes large regions of known drug space due to the reliance on biochemical and cell-based assays. In general, it can be concluded that compounds with "undesirable" moieties should not simply be eliminated from compound screening libraries but rather be flagged as potentially problematic. A possible solution is to segregate the compounds containing suspect moieties and screen them when deemed appropriate. PMID:18692938

  11. Chemical modification and structure-activity relationships of pyripyropenes. 3. Synthetic conversion of pyridine-pyrone moiety.

    PubMed

    Obata, R; Sunazuka, T; Tian, Z; Tomoda, H; Harigaya, Y; Omura, S

    1997-03-01

    Structure-activity relationships of the pyridine-pyrone moiety in pyripyropene A (1), a potent acyl-CoA: cholesterol acyltransferase (ACAT) inhibitor of fungal origin, were studied. Several kinds of aromatic or hetero ring substituents for the pyridine moiety were synthesized using unique degradation reaction, following by gamma-acylation. All the six synthesized analogs decreased the inhibitory activity with 20 to 200 times larger IC50 values than that of 1. Furthermore, the pyridine-pyrone substituent also dramatically decrease the inhibitory activity. Thus, the pyridine-pyrone moiety is important for eliciting potent ACAT inhibition. PMID:9127194

  12. Chemical modification and structure-activity relationships of pyripyropenes. 3. Synthetic conversion of pyridine-pyrone moiety

    PubMed

    Obata; Sunazuka; Tian; Tomoda; Harigaya; Omura

    1997-03-01

    Structure-activity relationships of the pyridine-pyrone moiety in pyripyropene A (1), a potent acyl-CoA : cholesterol acyltransferase (ACAT) inhibitor of fungal origin, were studied. Several kinds of aromatic or hetero ring substituents for the pyridine moiety were synthesized using unique degradation reaction, following by gamma-acylation. All the six synthesized analogs decreased the inhibitory activity with 20 to 200 times larger IC50 values than that of 1. Furthermore, the pyridine-pyrone substituent also dramatically decrease the inhibitory activity. Thus, the pyridine-pyrone moiety is important for eliciting potent ACAT inhibition. PMID:9439694

  13. Technical Mathematics.

    ERIC Educational Resources Information Center

    Flannery, Carol A.

    This manuscript provides information and problems for teaching mathematics to vocational education students. Problems reflect applications of mathematical concepts to specific technical areas. The materials are organized into six chapters. Chapter 1 covers basic arithmetic, including fractions, decimals, ratio and proportions, percentages, and…

  14. Chlordane (Technical)

    Integrated Risk Information System (IRIS)

    Chlordane ( Technical ) ; CASRN 12789 - 03 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarc

  15. Synthesis and inhibitory effect on fat accumulation of (-)-ternatin derivatives modified in the beta-OH-D-Leu(7) moiety.

    PubMed

    Shimokawa, Kenichiro; Iwase, Yoshiaki; Yamada, Kaoru; Uemura, Daisuke

    2008-01-01

    An efficient synthesis of (-)-ternatin derivatives directed toward their SAR at the beta-OH-D-Leu(7) moiety and their biological activities against 3T3-L1 murine adipocytes are described. PMID:18075648

  16. Bilaterally obstructed ureteropelvic junction of the upper moieties in a complete duplex collecting system.

    PubMed

    Latayan, Michael Jonathan R; Dator, Jose Dante P; Torres, Carlos Ramon N

    2008-02-01

    Maternal ultrasound is a routine examination in prenatal evaluation. The number of fetal abnormalities detected has been increasing, and includes fetal hydronephrosis which is secondary to ureteropelvic junction obstruction in 80% of cases. We report a case of a 1-year-old female infant with hydronephrosis prenatally detected by ultrasound. After close postnatal follow-up and diagnosis, she eventually underwent a definitive reconstructive procedure. This is the first reported case of a bilateral ureteropelvic junction obstruction of the upper moieties of a duplex collecting system. PMID:18631901

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

    PubMed Central

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

    2013-01-01

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

  18. Investigation of Antifouling Properties of Surfaces Featuring Zwitterionic α-Aminophosphonic Acid Moieties.

    PubMed

    Wagner, Natalie; Zimmermann, Phyllis; Heisig, Peter; Klitsche, Franziska; Maison, Wolfgang; Theato, Patrick

    2015-12-01

    Zwitterionic thin films containing α-amino phosphonic acid moieties were successfully introduced on silicon surfaces and their antifouling properties were investigated. Initially, the substrates were modified with a hybrid polymer, composed of poly(methylsilsesquioxane) (PMSSQ) and poly(4-vinyl benzaldehyde) (PStCHO). Next, a Kabachnik-Fields post-polymerization modification (sur-KF-PMR) of the functionalized aldehyde surfaces was conducted with different amines and dialkyl phosphonates. After subsequent deprotection reaction of dialkyl phosphonates, the obtained zwitterionic surfaces were characterized by various techniques and we found excellent antifouling properties of the resulting films. PMID:26332285

  19. New metathesis catalyst bearing chromanyl moieties at the N-heterocyclic carbene ligand

    PubMed Central

    Suchodolski, Szymon; Wojtkielewicz, Agnieszka; Morzycki, Jacek W

    2015-01-01

    Summary The synthesis of a new type of Hoveyda–Grubbs 2nd generation catalyst bearing a modified N-heterocyclic carbene ligands is reported. The new catalyst contains an NHC ligand symmetrically substituted with chromanyl moieties. The complex was tested in model CM and RCM reactions. It showed very high activity in CM reactions with electron-deficient α,β-unsaturated compounds even at 0 °C. It was also examined in more demanding systems such as conjugated dienes and polyenes. The catalyst is stable, storable and easy to purify. PMID:26877801

  20. Design, synthesis, and biological activity of oxime ether strobilurin derivatives containing indole moiety as novel fungicide.

    PubMed

    Xie, Ya-Qiang; Huang, Zi-Long; Yan, Hui-Dong; Li, Jun; Ye, Li-Yi; Che, Li-Ming; Tu, Song

    2015-06-01

    Twenty-one novel oxime ether strobilurins containing indole moiety, which employed an indole group to stabilize the E-styryl group in Enoxastrobin, were designed and synthesized. The biological assay indicated that most compounds exhibited potent fungicidal activities. The structure-activity relationship study demonstrated that the synthesized methyl 3-methoxypropenoate oxime ethers 7b-e exhibited remarkably high activities among all the synthesized oxime ether compounds 7. Moreover, the fungicidal activities of methyl α-(methoxyimino)benzeneacetate oxime ethers compounds 7f-i and N-methoxy-carbamic acid methyl esters compounds 7j-m showed significant differences compared to the corresponding products of ammonolysis. PMID:25346294

  1. Diamond surface functionalization with biomimicry - Amine surface tether and thiol moiety for electrochemical sensors

    NASA Astrophysics Data System (ADS)

    Sund, James B.; Causey, Corey P.; Wolter, Scott D.; Parker, Charles B.; Stoner, Brian R.; Toone, Eric J.; Glass, Jeffrey T.

    2014-05-01

    The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen-oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis.

  2. High-Speed AFM Images of Thermal Motion Provide Stiffness Map of Interfacial Membrane Protein Moieties

    PubMed Central

    2014-01-01

    The flexibilities of extracellular loops determine ligand binding and activation of membrane receptors. Arising from fluctuations in inter- and intraproteinaceous interactions, flexibility manifests in thermal motion. Here we demonstrate that quantitative flexibility values can be extracted from directly imaging the thermal motion of membrane protein moieties using high-speed atomic force microscopy (HS-AFM). Stiffness maps of the main periplasmic loops of single reconstituted water channels (AqpZ, GlpF) revealed the spatial and temporal organization of loop-stabilizing intraproteinaceous H-bonds and salt bridges. PMID:25516527

  3. Hydrogen abstraction reactions of the [FeO]2+ moiety: The role of the electronic state

    NASA Astrophysics Data System (ADS)

    Malykhin, Sergei

    2015-02-01

    Hydrogen abstraction reactions of the ferryl [FeO]2+ moiety are investigated theoretically using a simple molecular model (OH)2FeO by DFT methods. Obtained thermochemical and structural data are compared with high-level electron-correlated methods: CCSD(T), BD and MCQDPT2. Two bonding patterns are observed: triple oxo-iron bond Fe+≡O+ and single Fesbnd Orad bond with radical oxygen. Predicted thermochemistry and reactivity with H2 and CH4 molecules for the later one fits well with available experimental data on the N2O + FeZSM5 catalytic system.

  4. Thiourea derivatives incorporating a hippuric acid moiety: synthesis and evaluation of antibacterial and antifungal activities.

    PubMed

    Abbas, Samir Y; El-Sharief, Marwa A M Sh; Basyouni, Wahid M; Fakhr, Issa M I; El-Gammal, Eman W

    2013-06-01

    New series of thiourea derivatives incorporating a hippuric acid moiety have been synthesized through the reaction of 4-hippuric acid isothiocyanate with various nitrogen nucleophiles such as aliphatic amines, aromatic amines, sulfa drugs, aminopyrazoles, phenylhydrazine and hydrazides. The synthesized compounds were tested against bacterial and fungal strains. Most of compounds, such as 2-(4-(3-(3-bromophenyl)thioureido)benzamido)acetic acid and 2-(4-(3-(4-(N-pyrimidin-2-ylsulfamoyl)phenyl)thioureido)benzamido)acetic acid, showed significant antibacterial and antifungal activities. These compounds comprise a new class of promising broad-spectrum antibacterial and antifungal agents. PMID:23644194

  5. Design, Synthesis, and Antimycobacterial Activity of Novel Theophylline-7-Acetic Acid Derivatives With Amino Acid Moieties.

    PubMed

    Stavrakov, Georgi; Valcheva, Violeta; Voynikov, Yulian; Philipova, Irena; Atanasova, Mariyana; Konstantinov, Spiro; Peikov, Plamen; Doytchinova, Irini

    2016-03-01

    The theophylline-7-acetic acid (7-TAA) scaffold is a promising novel lead compound for antimycobacterial activity. Here, we derive a model for antitubercular activity prediction based on 14 7-TAA derivatives with amino acid moieties and their methyl esters. The model is applied to a combinatorial library, consisting of 40 amino acid and methyl ester derivatives of 7-TAA. The best three predicted compounds are synthesized and tested against Mycobacterium tuberculosis H37Rv. All of them are stable, non-toxic against human cells and show antimycobacterial activity in the nanomolar range being 60 times more active than ethambutol. PMID:26502828

  6. Technical considerations.

    PubMed

    Fugazzotto, P A

    1999-01-01

    Appropriately applied, guided tissue regeneration (GTR) therapy is an important addition to the clinician's treatment armamentarium. However, GTR therapy is highly technique-sensitive, and failure to understand and manage the subtleties of treatment will significantly diminish therapeutic results. This article discusses the technical prerequisites for successful application of GTR therapy to infrabony defects and periodontally involved furcations for maximization of treatment results. PMID:11360324

  7. Immobilization of imidazole moieties in polymer electrolyte composite membrane for elevated temperature fuel cells

    NASA Astrophysics Data System (ADS)

    Li, Ke; Zhou, Bei; Ye, Gongbo; Pan, Mu; Zhang, Haining

    2015-12-01

    Development of membrane electrolyte with reasonable proton conductivity at elevated temperature without external humidification is essential for practical applications of elevated temperature proton exchange membrane fuel cells. Herein, a novel polymer electrolyte composite membrane using imidazole as anhydrous proton carriers for elevated temperature fuel cells is investigated. The imidazole moieties are immobilized inside the Nafion/poly(tetrafluoroethylene) (PTFE) composite membrane through in situ formation of imidazole functionalized silica nanoparticles in Nafion dispersion. The thus-formed membrane exhibits strong Coulombic interaction between negatively charged sulfonic acid groups of Nafion and protonated imidazole moieties, leading to an anhydrous proton conductivity of 0.018 S cm-1 at 180 °C. With the introduction of PTFE matrix, the mechanical strength of the membrane is greatly improved. The peak power density of a single cell assembled from the hybrid membrane is observed to be 130 mW cm-2 under 350 mA cm-2 at 110 °C without external humidification and it remains stable for 20 h continuous operation. The obtained results demonstrate that the developed composite membranes could be utilized as promising membrane electrolytes for elevated temperature fuel cells.

  8. Effect of carbazole as a donor moiety on the second-order nonlinearity of organic molecules

    NASA Astrophysics Data System (ADS)

    Meshulam, Guilia; Berkovic, Garry; Kotler, Zvi; Ben-Asuly, Amos; Mazor, Royi; Shapiro, Lev; Khodorkovsky, Vladimir

    1999-10-01

    The second order nonlinearity of conjugated organic molecules involving, 1,3 indandione derivatives as an acceptor moiety has been studied. Varying the donor from dialkylamino to the chemically similar substituent, N- carbazolyl resulted in a drastic reduction of electric field induced second harmonic (beta) values. For some molecules, even a small negative value of (beta) was received. Quantum chemical calculations indicate that the decrease occurs as a result of two overlapping transitions, which contribute to (beta) with opposite signs. The charge transfer band gives a positive (beta) zzz along the molecular long axis, while a transition essentially within the carbazole moiety provides a negative (beta zzz contribution to (beta EFISH. Thus, these molecules must be described with a 2D model as opposed to the 'classical' model of 1D nonlinear optical chromophores. The prediction of the 2D model was verified experimentally by using a combination of two methods, EFISH and Hyper-Rayleigh Scattering, which probe different combination of the (beta) tensor elements.

  9. Revealing the role of catechol moieties in the interactions between peptides and inorganic surfaces.

    PubMed

    Das, Priyadip; Reches, Meital

    2016-08-18

    Catechol (1,2-dihydroxy benzene) moieties are being widely used today in new adhesive technologies. Understanding their mechanism of action is therefore of high importance for developing their applications in materials science. This paper describes a single-molecule study of the interactions between catechol-related amino acid residues and a well-defined titanium dioxide (TiO2) surface. It is the first quantified measurement of the adhesion of these residues with a well-defined TiO2 surface. Single-molecule force spectroscopy measurements with AFM determined the role of different substitutions of the catechol moiety on the aromatic ring in the adhesion to the surface. These results shed light on the nature of interactions between these residues and inorganic metal oxide surfaces. This information is important for the design and fabrication of catechol-based materials such as hydrogels, coatings, and composites. Specifically, the interaction with TiO2 is important for the development of solar cells. PMID:27503417

  10. Terminal modification of polymeric micelles with π-conjugated moieties for efficient anticancer drug delivery.

    PubMed

    Liang, Yan; Deng, Xin; Zhang, Longgui; Peng, Xinyu; Gao, Wenxia; Cao, Jun; Gu, Zhongwei; He, Bin

    2015-12-01

    High drug loading content is the critical factor to polymeric micelles for efficient chemotherapy. Small molecules of cinnamic acid, 7-carboxymethoxy coumarin and chrysin with different π-conjugated moieties were immobilized on the terminal hydroxyl groups of PCL segments in mPEG-PCL micelles to improve drug loading content via the evocation of π-π stacking interaction between doxorubicin (DOX) and polymeric micelles. The modification of π-conjugated moieties enhanced the capability of crystallization of mPEG-PCL block copolymers. The drug loading content increased dramatically from 12.9% to 25.5% after modification. All the three modified mPEG-PCL micelles were nontoxic to cells. Chrysin modified polymeric micelles exhibited the most efficient anticancer activity. The in vivo anticancer activity of 10 mg/kg DOX dose of chrysin modified micelle formulation for twice injections was comparable to that of 5 mg/kg dose of free DOX·HCl for four injections under the circumstance of same total DOX amount. The systemic toxicity of DOX loaded chrysin modified micelles was significantly reduced. This research provided a facile strategy to achieve polymeric micelles with high drug loading content and efficient anticancer activity both in vitro and in vivo. PMID:26310358

  11. Dynamic scaffold of chiral binaphthol derivatives with the alkynylplatinum(II) terpyridine moiety

    PubMed Central

    Leung, Sammual Yu-Lut; Lam, Wai Han; Yam, Vivian Wing-Wah

    2013-01-01

    Platinum(II)-containing complexes with inherently chiral binaphthol derivatives display a versatile scaffold between random coils and single-turn helical strands, in which the conformational transition is controlled by the Pt···Pt and π−π interactions of alkynylplatinum(II) terpyridine moiety upon solvent and temperature modulation. The bisignate Cotton effect in the circular dichroism spectra is indicative of the cooperative transformation from random coil state to a compact single-turn M- or P- helix. More importantly, as revealed by the appearance of new UV-vis absorption and emission bands during conformational change, the self-assembly of the platinum(II)-containing complex into a helical structure is assisted by the metal···metal and π−π interactions of the alkynylplatinum(II) terpyridine moieties. The folded structure with stabilization via metal···metal and π−π interactions has been supported by density functional theory calculations, which provide insights into the folded geometry of these kind of metallo-foldamers. PMID:23542379

  12. Synthetic transformations of a pendant nitrile moiety in group 4 metallocene complexes.

    PubMed

    Pinkas, Jiří; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Lamač, Martin

    2013-05-21

    Functional group transformations at the group 4 metallocene framework have been demonstrated, which have provided relatively straightforward access to otherwise synthetically challenging derivatives. The pendant nitrile group in Ti and Zr metallocene complexes of the type [(η(5)-C5Me5)(η(5)-C5H4CMe2CH2CN)MCl2] was converted into an intramolecularly bound ketimido moiety by alkylation, which took place not only at the nitrile, but also at the metal centre. The choice of an alkylating reagent (alkyl/aryl lithium, Grignard reagent) was crucial: e.g., 2 equiv. of MeMgBr effected the alkylation only at the metal, yielding selectively complexes [(η(5)-C5Me5)(η(5)-C5H4CMe2CH2CN)MMe2], while the use of PhMgBr, PhLi, or MeLi instead gave selectively the ketimido complexes. Organyl lithium reagents were, however, not compatible with the titanocene derivatives. The metal-bound ketimides were subsequently cleaved off by the reaction with HCl, which afforded metallocene dichlorides with a pendant imino group. These compounds were easily protonated again at the nitrogen atom to produce a cationic iminium moiety. Aqueous hydrolysis of the imine or its respective hydrochloride proved to be viable in the case of Zr and it finally afforded a pendant ketone group attached to the zirconocene framework. PMID:23536005

  13. Elucidation of the hepatoprotective moiety of 5β-scymnol that suppresses paracetamol toxicity in mice.

    PubMed

    Hodges, Lynn D; Carter, Fiona; Kalafatis, Nicolette; Wright, Paul F A; Macrides, Theodore A

    2016-06-01

    The shark bile alcohol, 5β-scymnol, protects mice from the hepatotoxic effects of paracetamol (APAP) overdose. To elucidate the hepatoprotective structural moiety of scymnol, we compared its effect with that of its analogue and natural bile salt, sodium scymnol sulfate, in a clinically relevant model of APAP-induced toxicity. Exposure of healthy male Swiss mice to a toxic overdose of APAP (350 mg/kg, ip) significantly increased serum hepatocellular enzyme activities, decreased hepatocellular glutathione (GSH) levels, and induced severe centrilobular hepatocellular necrosis. Repeated low-dose scymnol (5 mg/kg/day for 7 days, ip) significantly reduced the extent of APAP-induced hepatotoxicity without preventing GSH depletion. Sodium scymnol sulfate, which lacks the tri-hydroxyl-substituted aliphatic side chain of scymnol, failed to reduce the APAP hepatotoxicity or prevent GSH depletion when tested under the same experimental conditions. We conclude that the tri-hydroxyl-substituted aliphatic side chain is the hepatoprotective structural moiety of 5β-scymnol that suppresses APAP-induced cytotoxicity in mice. PMID:27234873

  14. Characterization of progesterone-binding moieties in the little skate Raja erinacea.

    PubMed

    Paolucci, M; Callard, I P

    1998-01-01

    In this study we report evidence of a [3H]progesterone-binding moiety in the liver and oviduct of the little skate Raja erinacea. It is characterized by high affinity, low capacity and DNA-cellulose-binding activity. Furthermore Western blot analysis revealed that monoclonal antibodies against the chicken progesterone receptor (PR) subunits A and B cross-reacted with a 110-kDa band in the liver and a 80-kDa band in the oviduct. When analyzed by DEAE-Sepharose ion-exchange column chromatography, [3H]progesterone-binding molecules resolved into two peaks, one nonadherent and one adherent to the column. The liver adherent peak eluted in a linear gradient at a NaCl concentration of about 0.07 M and resolved on Western blot as a single band of a 110 kDa. The oviduct adherent peak eluted at about 0.14 M NaCl and resolved on Western blot as a single band of 80 kDa. Competition studies showed that the progesterone-binding moiety in the cytosol was specific for progesterone. On the contrary, the nuclear component is not specific for progesterone; it also binds testosterone and estradiol 17 beta in the oviduct, and progesterone, testosterone, dihydrotestosterone, estradiol 17 beta, mibolerone, and R5020 in the liver. The [3H]progesterone-binding activity was monitored in both liver and oviduct of females in different reproductive stages. Females were separated into three groups; laying, nonlaying, and immature. [3H]Progesterone-binding activity levels were higher in the liver of immature than of nonlaying skates, and it was undetectable in laying skates. [3H]Progesterone binding was higher in the oviduct of laying and nonlaying skates than of immature skates. This PR-binding moiety has many characteristics of a true receptor: high affinity, low capacity, binds to DNA, and cross-reacts with antibodies against chicken PR. However, while the cytosolic form of this progesterone-binding component was quite specific for P, nuclear extracted material was nonspecific. If these

  15. Transformation of ranitidine during water chlorination and ozonation: Moiety-specific reaction kinetics and elimination efficiency of NDMA formation potential.

    PubMed

    Jeon, Dahee; Kim, Jisoo; Shin, Jaedon; Hidayat, Zahra Ramadhany; Na, Soyoung; Lee, Yunho

    2016-11-15

    Ranitidine can produce high yields of N-nitrosodimethylamine (NDMA) upon chloramination and its presence in water resources is a concern for water utilities using chloramine disinfection. This study assessed the efficiency of water chlorination and ozonation in transforming ranitidine and eliminating its NDMA formation potential (NDMA-FP) by determining moiety-specific reaction kinetics, stoichiometric factors, and elimination levels in real water matrices. Despite the fact that chlorine reacts rapidly with the acetamidine and thioether moieties of ranitidine (k>10(8)M(-1)s(-1) at pH 7), the NDMA-FP decreases significantly only when chlorine reacts with the less reactive tertiary amine (k=3×10(3)M(-1)s(-1) at pH 7) or furan moiety (k=81M(-1)s(-1) at pH 7). Ozone reacts rapidly with all four moieties of ranitidine (k=1.5×10(5)-1.6×10(6)M(-1)s(-1) at pH 7) and its reaction with the tertiary amine or furan moiety leads to complete elimination of the NDMA-FP. Treatments of ranitidine-spiked real water samples have shown that ozonation can efficiently deactivate ranitidine in water and wastewater treatment, while chlorination can be efficient for water containing low concentration of ammonia. This result can be applied to the other structurally similar, potent NDMA precursors. PMID:27381234

  16. Enzymatic phosphorylation of hair keratin enhances fast adsorption of cationic moieties.

    PubMed

    Volkov, Vadim; Cavaco-Paulo, Artur

    2016-04-01

    The current study describes the in vitro phosphorylation of a human hair keratin, using protein kinase for the first time. Phosphorylation of keratin was demonstrated by (31)P NMR (Nuclear Magnetic Resonance) and Diffuse Reflectance Infrared Fourier Transform (DRIFT) techniques. Phosphorylation induced a 2.5 fold increase of adsorption capacity in the first 10 min for cationic moiety like methylene blue (MB). Thorough description of MB adsorption process was performed by several isothermal models. Reconstructed fluorescent microscopy images depict distinct amounts of dye bound to the differently treated hair. The results of this work suggest that the enzymatic phosphorylation of keratins might have significant implications in hair shampooing and conditioning, where short application times of cationic components are of prime importance. PMID:26756110

  17. Renal pelvis urothelial carcinoma of the upper moiety in complete right renal duplex: a case report

    PubMed Central

    Zhang, Yiran; Yu, Quanfeng; Zhang, Zhihong; Liu, Ranlu; Xu, Yong

    2015-01-01

    Urothelial carcinoma (UC) originated from renal pelvis is the common tumor of the urinary system, however, neoplasia of the renal pelvis in duplex kidneys is extremely rare, especially in the complete renal and ureteral duplex cases. We present the first case of renal pelvis UC of the upper moiety in a complete right renal duplex. This male patient has bilateral complete renal and ureteral duplex. To the best of our knowledge, this is the first reported case of renal pelvis UC in a complete renal duplex system. After this experience we feel that the diagnosis of renal pelvis UC in duplex kidneys is not so easy, and once the diagnosis is determined, the whole renal duplex units and bladder cuff or ectopic orifice should be excised radically. PMID:26823906

  18. Conformational Constraint of the Glycerol Moiety of Lysophosphatidylserine Affords Compounds with Receptor Subtype Selectivity.

    PubMed

    Jung, Sejin; Inoue, Asuka; Nakamura, Sho; Kishi, Takayuki; Uwamizu, Akiharu; Sayama, Misa; Ikubo, Masaya; Otani, Yuko; Kano, Kuniyuki; Makide, Kumiko; Aoki, Junken; Ohwada, Tomohiko

    2016-04-28

    Lysophosphatidylserine (LysoPS) is an endogenous lipid mediator that specifically activates membrane proteins of the P2Y and its related families of G protein-coupled receptors (GPCR), GPR34 (LPS1), P2Y10 (LPS2), and GPR174 (LPS3). Here, in order to increase potency and receptor selectivity, we designed and synthesized LysoPS analogues containing the conformational constraints of the glycerol moiety. These reduced structural flexibility by fixation of the glycerol framework of LysoPS using a 2-hydroxymethyl-3-hydroxytetrahydropyran skeleton, and related structures identified compounds which exhibited high potency and selectivity for activation of GPR34 or P2Y10. Morphing of the structural shape of the 2-hydroxymethyl-3-hydroxytetrahydropyran skeleton into a planar benzene ring enhanced the P2Y10 activation potentcy rather than the GPR34 activation. PMID:27077565

  19. Discovery of novel diaryl urea derivatives bearing a triazole moiety as potential antitumor agents.

    PubMed

    Qin, Mingze; Yan, Shuang; Wang, Lei; Zhang, Haotian; Zhao, Yanfang; Wu, Shasha; Wu, Di; Gong, Ping

    2016-06-10

    Herein, we report a novel series of diaryl urea derivatives bearing a triazole moiety, from which potent antitumor agents have been identified. With a modified triazole, most compounds showed high level activity in both cellular and enzymatic assays, accompanied with a suitable ClogD7.4 value. The most active compound, 13i, effectively suppressed proliferation of HT-29, H460 and MDA-MB-231 cancer cells, with IC50 values of 0.90, 0.85 and 1.54 μM, respectively. Compound 13i also exhibited significant inhibition of tyrosine kinases including c-Kit, RET and FLT3. Furthermore, compound 13i could obviously induce apoptosis of HT-29 cells in a concentration-dependent manner. The study of structure-activity relationships also revealed that a hydrophilic tail at the 4-position of the triazole was crucial for high activity of the compound. PMID:26991938

  20. Highly improved antiparasitic activity after introduction of an N-benzylimidazole moiety on protein farnesyltransferase inhibitors.

    PubMed

    Bosc, Damien; Mouray, Elisabeth; Cojean, Sandrine; Franco, Caio Haddad; Loiseau, Philippe M; Freitas-Junior, Lucio H; Moraes, Carolina Borsoi; Grellier, Philippe; Dubois, Joëlle

    2016-02-15

    In our search for new protein farnesyltransferase inhibitors with improved antiparasitic activities, we modified our previously developed 3-arylthiophene series of inhibitors by replacing the thioisopropyl group by different substituted imidazolylmethanamino moieties. Twenty four new derivatives were synthesized and evaluated against human and parasite farnesyltransferases, and their anti-parasitic activity was determined against Plasmodium falciparum, Trypanosoma brucei, Trypanosoma cruzi, and Leishmania donovani. Introduction of a N-p-substituted-benzylimidazole led to significantly increase the inhibition of parasite proliferation in the submicromolar range. The structure of the best inhibitors was parasite dependent. Three compounds possess IC50 values at the same range as the reference miltefosine against L. donovani proliferation and other new derivatives display high level of anti-trypanosomal activity against T. cruzi, higher or in the same order of magnitude as the reference compounds benznidazole and nifurtimox. PMID:26774924

  1. Self-Assembled Fibers Containing Stable Organic Radical Moieties: Alignment and Magnetic Properties in Liquid Crystals.

    PubMed

    Eimura, Hiroki; Umeta, Yoshikazu; Tokoro, Hiroko; Yoshio, Masafumi; Ohkoshi, Shin-Ichi; Kato, Takashi

    2016-06-20

    Macroscopically oriented stable organic radicals have been obtained by using a liquid-crystalline (LC) gel composed of an l-isoleucine-based low molecular weight gelator containing a 2,2,6,6-tetramethylpiperidine 1-oxyl moiety. The LC gel has allowed magnetic measurements of the oriented organic radical. The gelator has formed fibrous aggregates in liquid crystals via intermolecular hydrogen bonds. The fibrous aggregates of the radical gelator are formed and oriented on cooling by applying a magnetic field to the mixture of liquid crystals and the gelator. Superconducting quantum interference device (SQUID) measurements have revealed that both oriented and nonoriented fibrous aggregates exhibited antiferromagnetic interactions, in which super-exchange interaction constant J is estimated as -0.89 cm(-1) . PMID:27219716

  2. Lanthanide induced residual dipolar couplings for the conformational investigation of peripheral 15NH2 moieties.

    PubMed

    Bertini, I; Felli, I C; Luchinat, C

    2000-12-01

    The Ca2 calbindin protein in which one calcium has been substituted with Ce(III), Yb(III) and Dy(III) displays substantial alignment in high magnetic fields due to the high anisotropy of the metal magnetic susceptibility. This property has allowed the measurement of residual dipolar coupling contributions to 1J(HN) and 2J(HH) couplings of asparagine and glutamine NH2 moieties. Such data have been used to aid structural characterization of these groups. The exploitation of auto-orientation of magnetic anisotropic metalloproteins represents a step ahead in the investigation of the conformational space of peripheral residues that are not fixed by the protein folding. PMID:11200529

  3. Controlled radical polymerization of an acrylamide containing L-alanine moiety via ATRP.

    PubMed

    Rafiee, Zahra

    2016-02-01

    Homopolymerization of an optically active acrylamide having an amino acid moiety in the side chain, N-acryloyl-L-alanine (AAla) was carried out via atom transfer radical polymerization (ATRP) at room temperature using 2-hydroxyethyl-2'-methyl-2'-bromopropionate (HMB) or sodium-4-(bromomethyl)benzoate (SBB) as initiator in pure water, methanol/water mixture and pure methanol solvents. The polymerization reaction resulted in the optically active biocompatible amino acid-based homopolymer in good yield with narrow molecular weight distribution. The number average molecular weight increased with conversion and polydispersity was low. The structure and molecular weight of synthesized polymer were characterized by (1)H NMR, FT-IR spectroscopic techniques and size-exclusion chromatography. PMID:26385362

  4. SAR studies directed toward the pyridine moiety of the sap-feeding insecticide sulfoxaflor (Isoclast™ active).

    PubMed

    Loso, Michael R; Benko, Zoltan; Buysse, Ann; Johnson, Timothy C; Nugent, Benjamin M; Rogers, Richard B; Sparks, Thomas C; Wang, Nick X; Watson, Gerald B; Zhu, Yuanming

    2016-02-01

    Sap-feeding insect pests constitute a major insect pest complex that includes a range of aphids, whiteflies, planthoppers and other insect species. Sulfoxaflor (Isoclast™ active), a new sulfoximine class insecticide, targets sap-feeding insect pests including those resistant to many other classes of insecticides. A structure activity relationship (SAR) investigation of the sulfoximine insecticides revealed the importance of a 3-pyridyl ring and a methyl substituent on the methylene bridge linking the pyridine and the sulfoximine moiety to achieving strong Myzus persicae activity. A more in depth QSAR investigation of pyridine ring substituents revealed a strong correlation with the calculated logoctanol/water partition coefficient (SlogP). Model development resulted in a highly predictive model for a set of 18 sulfoximines including sulfoxaflor. The model is consistent with and helps explain the highly optimized pyridine substitution pattern for sulfoxaflor. PMID:26706115

  5. Formation of copper phthalocyanine thin films by electrolysis of surfactants with ferrocenyl moiety

    SciTech Connect

    Saji, T.; Ishii, Y. )

    1989-10-01

    Recently, the authors presented a novel technique for electrochemical formation of an organic thin film by disruption of micellar aggregates formed by cationic surfactants having a ferrocenyl moiety (MD method). They reported the preparation of metal-free high concentration of free FPEG not adsorbed on the CuPc particles. The agreements of absorption spectra and x-ray diffraction patterns among CuPc powders, their micellar solutions, and their films indicate that the crystalline form of CuPc is maintained throughout the film preparation processes. The results of the study presented in this paper demonstrate that the MD method is a convenient method to prepare a thin film of CuPc which has a desired crystalline form.

  6. Crowned spiropyran fluoroionophores with a carboxyl moiety for the selective detection of lithium ions.

    PubMed

    Stubing, D B; Heng, S; Abell, A D

    2016-04-12

    The absorbance and fluorescence spectra of carboxylated spiropyrans containing methyl-1-aza-12-crown-4, methyl-1-aza-15-crown-5, methyl-1-aza-18-crown-6 moieties are compared. Characteristic changes in spectra after addition of the alkali metal salts of Li(+), Na(+), K(+) and Cs(+) were observed. Chromism induced by the binding of the metal cations was observed as an increase in absorbance and fluorescence. Of these metal cations, the Li(+) ion produced the largest change in all three spiropyran systems. Reversible photoswitching of the spiropyran-metal complexes was observed on irradiation with alternating 352 nm UV and white light. This results in reversible fluorescence based sensing of lithium ions with potential for use in a biological sensor device. PMID:27001932

  7. Biosynthesis of riboflavin in Bacillus subtilis: origin of the four-carbon moiety.

    PubMed Central

    Le Van, Q; Keller, P J; Bown, D H; Floss, H G; Bacher, A

    1985-01-01

    We studied the incorporation of [1-13C]ribose and [1,3-13C2]glycerol into the riboflavin precursor 6,7-dimethyl-8-ribityllumazine, using a riboflavin-deficient mutant of Bacillus subtilis. The formation of the pyrazine ring requires the addition of a four-carbon moiety to a pyrimidine precursor. The results show that C-6 alpha, C-6, C-7, and C-7 alpha of 6,7-dimethyl-8-ribityllumazine were biosynthetically equivalent to C-1, C-2, C-3, and C-5 of a pentose phosphate. C-4 of the pentose precursor was lost through an intramolecular skeletal rearrangement. Thus, the last steps in the biosynthesis of 6,7-dimethyl-8-ribityllumazine apparently involve the same mechanism in bacteria as in fungi. PMID:3922947

  8. Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.

    PubMed

    Buonsanti, M Federica; Bertinaria, Massimo; Stilo, Antonella Di; Cena, Clara; Fruttero, Roberta; Gasco, Alberto

    2007-10-01

    The structure of fenoterol, a beta2-adrenoceptor agonist used in therapy, has been joined with furoxan NO-donor moieties to give new NO-donor beta2-agonists. The furazan analogues, devoid of the property to release NO, were also synthesized for comparison. All the compounds retained beta2-agonistic activity at micromolar or submicromolar concentration when tested on guinea pig tracheal rings precontracted with carbachol. Among the furoxan derivatives, the NO contribution to trachea relaxation was evident with product 15b at micromolar concentrations. All the new NO-donor hybrids were able to dilate rat aortic strips precontracted with phenylephrine. Both furoxan and furazan derivatives displayed antioxidant activity greater than that of fenoterol. PMID:17845020

  9. Antidepressant potential of nitrogen-containing heterocyclic moieties: An updated review

    PubMed Central

    Siddiqui, Nadeem; Andalip; Bawa, Sandhya; Ali, Ruhi; Afzal, Obaid; Akhtar, M. Jawaid; Azad, Bishmillah; Kumar, Rajiv

    2011-01-01

    Depression is currently the fourth leading cause of disease or disability worldwide. Antidepressant is approved for the treatment of major depression (including paediatric depression), obsessive-compulsive disorder (in both adult and paediatric populations), bulimia nervosa, panic disorder and premenstrual dysphoric disorder. Antidepressant is a psychiatric medication used to alleviate mood disorders, such as major depression and dysthymia and anxiety disorders such as social anxiety disorder. Many drugs produce an antidepressant effect, but restrictions on their use have caused controversy and off-label prescription a risk, despite claims of superior efficacy. Our current understanding of its pathogenesis is limited and existing treatments are inadequate, providing relief to only a subset of people suffering from depression. Reviews of literature suggest that heterocyclic moieties and their derivatives has proven success in treating depression. PMID:21687347

  10. Syntheses, biological activities and SAR studies of novel carboxamide compounds containing piperazine and arylsulfonyl moieties.

    PubMed

    Wang, Bao-Lei; Shi, Yan-Xia; Zhang, Shu-Jun; Ma, Yi; Wang, Hong-Xue; Zhang, Li-Yuan; Wei, Wei; Liu, Xing-Hai; Li, Yong-Hong; Li, Zheng-Ming; Li, Bao-Ju

    2016-07-19

    A series of novel carboxamide compounds 19a-19j, 20a-20j and 22a-22d containing piperazine and arylsulfonyl moieties have been synthesized. The bioassay results showed that some compounds exhibited favorable herbicidal activities against dicotyledonous plants and many of them possessed excellent antifungal activities. Among 24 novel compounds, some showed superiority over the commercial fungicides Chlorothalonil, Dimethomorph, Thiophanate-methyl, Iprodione, and Zhongshengmycin at 500 mg/L concentration. Some compounds also exhibited high KARI inhibitory activity at 100 μg/mL concentration and could be used as new KARI lead inhibitors for further studies. Moreover, SAR of these new compounds were comprehensively investigated using different computational methods in which 3D-QSAR model obtained provided useful information for further structural optimization for the discovery of new fungicides. The results of this research will contribute to explore comprehensive biological activities of piperazine-containing compounds in different areas of chemistry. PMID:27092414

  11. Biosynthetic studies on ansatrienin A. Formation of the cyclohexanecarboxylic acid moiety

    SciTech Connect

    Moore, B.S.; Kennedy, E.; Reynolds, K.A. ); Cho, H.; Mocek, U.; Beale, J.M.; Floss, H.G. Ohio State Univ., Columbus ); Casati, R. )

    1993-06-16

    The formation of the cyclohexanecarboxylic acid moiety in the biosynthesis of ansatrienin (mycotrienin) has been studied. [sup 13]C- and [sup 2]H-labeled samples of shikimic acid were used to probe the stereochemistry of processing the cyclohexane ring of shikimic acid and to establish the fate of all the precursor hydrogens in this transformation. A sample of [2-[sup 13]C]shikimic acid was fed to Streptomyces collinus Tu 1982, and [sup 13]C in the resulting ansatrienin was found to reside exclusively at C-36. The l-cyclohexenecarboxylic acid accompanying the cyclohexanecarboxylic acid in the hydrolysis of the biosynthetic sample of ansatrienin carried the [sup 13]C label not at C-2 but at C-6. Samples of [2-[sup 2]H]-, [3-[sup 2]H]-, [4-[sup 2]H], [2,5-[sup 2]H[sub 2

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

    PubMed

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

    2016-10-01

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

  13. Synthesis and Biological Investigation of some Novel Sulfonamide and Amide Derivatives Containing Coumarin Moieties

    PubMed Central

    Saeedi, Mina; Goli, Fereshteh; Mahdavi, Mohammad; Dehghan, Gholamreza; Faramarzi, Mohammad Ali; Foroumadi, Alireza; Shafiee, Abbas

    2014-01-01

    New sulfonamide and amide derivatives containing coumarin moieties; oxo-2H-chromen-sulfamoylphenylacetamides and oxo-2H-chromen-arylacetamides were synthesized starting from diverse 2-chloroacetamide derivatives and a wide range of coumarins. The structures of compounds were elucidated by IR and NMR spectra and also analytical elemental analysis. In the next step, the above mentioned compounds were screened for their antimicrobial and antioxidant activities. Their antimicrobial activity was assigned using the conventional agar dilution method and the antioxidant activity was assessed using two methods, 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging method and ferric reducing antioxidant power (FRAP) assay. Although the compounds showed no remarkable antimicrobial activities, most of them exhibited good antioxidant activities. Compounds 5b showed the most potent DPPH activity, whereas 8c was the most efficient compound in FRAP assay. PMID:25276188

  14. Synthesis and Biological Investigation of some Novel Sulfonamide and Amide Derivatives Containing Coumarin Moieties.

    PubMed

    Saeedi, Mina; Goli, Fereshteh; Mahdavi, Mohammad; Dehghan, Gholamreza; Faramarzi, Mohammad Ali; Foroumadi, Alireza; Shafiee, Abbas

    2014-01-01

    New sulfonamide and amide derivatives containing coumarin moieties; oxo-2H-chromen-sulfamoylphenylacetamides and oxo-2H-chromen-arylacetamides were synthesized starting from diverse 2-chloroacetamide derivatives and a wide range of coumarins. The structures of compounds were elucidated by IR and NMR spectra and also analytical elemental analysis. In the next step, the above mentioned compounds were screened for their antimicrobial and antioxidant activities. Their antimicrobial activity was assigned using the conventional agar dilution method and the antioxidant activity was assessed using two methods, 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging method and ferric reducing antioxidant power (FRAP) assay. Although the compounds showed no remarkable antimicrobial activities, most of them exhibited good antioxidant activities. Compounds 5b showed the most potent DPPH activity, whereas 8c was the most efficient compound in FRAP assay. PMID:25276188

  15. Binding of amphiphilic and triphilic block copolymers to lipid model membranes: the role of perfluorinated moieties.

    PubMed

    Schwieger, Christian; Achilles, Anja; Scholz, Sven; Rüger, Jan; Bacia, Kirsten; Saalwaechter, Kay; Kressler, Jörg; Blume, Alfred

    2014-09-01

    A novel class of symmetric amphi- and triphilic (hydrophilic, lipophilic, fluorophilic) block copolymers has been investigated with respect to their interactions with lipid membranes. The amphiphilic triblock copolymer has the structure PGMA(20)-PPO(34)-PGMA(20) (GP) and it becomes triphilic after attaching perfluoroalkyl moieties (F9) to either end which leads to F(9)-PGMA(20)-PPO(34)-PGMA(20)-F(9) (F-GP). The hydrophobic poly(propylene oxide) (PPO) block is sufficiently long to span a lipid bilayer. The poly(glycerol monomethacrylate) (PGMA) blocks have a high propensity for hydrogen bonding. The hydrophobic and lipophobic perfluoroalkyl moieties have the tendency to phase segregate in aqueous as well as in hydrocarbon environments. We performed differential scanning calorimetry (DSC) measurements on polymer bound lipid vesicles under systematic variation of the bilayer thickness, the nature of the lipid headgroup, and the polymer concentration. The vesicles were composed of phosphatidylcholines (DMPC, DPPC, DAPC, DSPC) or phosphatidylethanolamines (DMPE, DPPE, POPE). We showed that GP as well as F-GP binding have membrane stabilizing and destabilizing components. PPO and F9 blocks insert into the hydrophobic part of the membrane concomitantly with PGMA block adsorption to the lipid headgroup layer. The F9 chains act as additional membrane anchors. The insertion of the PPO blocks of both GP and F-GP could be proven by 2D-NOESY NMR spectroscopy. By fluorescence microscopy we show that F-GP binding increases the porosity of POPC giant unilamellar vesicles (GUVs), allowing the influx of water soluble dyes as well as the translocation of the complete triphilic polymer and its accumulation at the GUV surface. These results open a new route for the rational design of membrane systems with specific properties. PMID:24942348

  16. Chiral dicarboxamide scaffolds containing a sulfiliminyl moiety as potential ryanodine receptor activators.

    PubMed

    Zhou, Sha; Jia, Zhehui; Xiong, Lixia; Yan, Tao; Yang, Na; Wu, Guiping; Song, Haibin; Li, Zhengming

    2014-07-01

    To search for new environmentally benign insecticides with high activity, low toxicity, and low residue, novel chiral configurations introduced into dicarboxamide scaffolds containing N-cyano sulfiliminyl moieties were first studied. Four series of phthalamides with sulfur-containing side chains were designed, synthesized, and evaluated against oriental armyworm (Pseudaletia separata Walker) and diamondback moth (Plutella xylostella (L.)) for their insecticidal activities. All structures were characterized by (1)H NMR, (13)C NMR, and HRMS (or elemental analysis), and their configurations were confirmed by optical polarimetry. The biological assessment indicated that some title compounds exhibited significant insecticidal activities. For oriental armyworm, these stereoisomers exerted different impacts on biological activity following the sequence (Sc, Ss) ≥ (Sc, Rs) ≫ (Rc, Ss) > (Rc, Rs), and carbon chirality influenced the activities more strongly than sulfur. Compounds Ia and IIa reached as high an activity as commercial flubendiamide, with LC50 values of 0.0504 and 0.0699 mg L(-1), respectively, lower than that of flubendiamide (0.1230 mg L(-1)). For diamondback moth, the sequence of activity was (Sc, Ss) > (Sc, Rs), and the sulfur chirality influenced the activities more greatly than carbon. Compound IIe exhibited even higher activity than flubendiamide, whereas Ie and Ic,d reached the activity of the latter. The results indicated that the improvement of insecticidal activity probably required a coordination of both carbon and sulfur chirality. Comparative molecular field analysis calculation indicated that stereoisomers with Sc configurations containing strong electron-withdrawing groups such as as CN are important in maintaining the high activity. The chiral scaffolds containing the N-cyano sulfiliminyl moiety are also essential for high larvicidal activity. Some title compounds could be considered as potential candidates for ryanodine receptor activators

  17. Lactose metabolism in Streptococcus lactis: phosphorylation of galactose and glucose moieties in vivo.

    PubMed Central

    Thompson, J

    1979-01-01

    Starved cells of Streptococcus lactis ML3 grown previously on lactose, galactose, or maltose were devoid of adenosine 5'-triphosphate contained only three glycolytic intermediates: 3-phosphoglycerate, 2-phosphoglycerate, and phosphoenolpyruvate (PEP). The three metabolites (total concentration, ca 40 mM) served as the intracellular PEP potential for sugar transport via PEP-dependent phosphotransferase systems. When accumulation of [14C]lactose by iodoacetate-inhibited starved cells was abolished within 1 s of commencement of transport, a phosphorylated disaccharide was identified by autoradiography. The compound was isolated by ion-exchange (borate) chromatography, and enzymatic analysis showed that the derivative was 6-phosphoryl-O-beta-D-galactopyranosyl (1 leads to 4')-alpha-D-glucopyranose (lactose 6-phosphate). After maximum lactose uptake (ca. 15 mM in 15 s) the cells were collected by membrane filtration and extracted with trichloroacetic acid. Neither free nor phosphorylated lactose was detected in cell extracts, but enzymatic analysis revealed high levels of galactose 6-phosphate and glucose 6-phosphate. The starved organisms rapidly accumulated glucose, 2-deoxy-D-glucose, methyl-beta-D-thiogalactopyranoside, and o-nitrophenyl-beta-D-galactopyranoside in phosphorylated form to intracellular concentrations of 32, 32, 42, and 38.5 mM, respectively. In contrast, maximum accumulation of lactose (ca. 15 mM) was only 40 to 50% that of the monosaccharides. From the stoichiometry of PEP-dependent lactose transport and the results of enzymatic analysis, it was concluded that (i) ca. 60% of the PEP potential was utilized via the lactose phosphotransferase system for phosphorylation of the galactosyl moiety of the disaccharide, and (ii) the residual potential (ca. 40%) was consumed during phosphorylation of the glucose moiety. Images PMID:118155

  18. Design, synthesis, and docking studies of afatinib analogs bearing cinnamamide moiety as potent EGFR inhibitors.

    PubMed

    Tu, Yuanbiao; OuYang, Yiqiang; Xu, Shan; Zhu, Yan; Li, Gen; Sun, Chao; Zheng, Pengwu; Zhu, Wufu

    2016-04-01

    Two series of afatinib derivatives bearing cinnamamide moiety (10a-n and 11a-h) were designed, synthesized and evaluated for the IC50 values against four cancer cell lines (A549, PC-3, MCF-7 and Hela). Two selected compounds (10e, 10k) were further evaluated for the inhibitory activity against EGFR and VEGFR2/KDR kinases. Seven of the compounds showed excellent cytotoxicity activity and selectivity with the IC50 values in single-digit μM to nanomole range. Three of them are equal to more active than positive control afatinib against one or more cell lines. The most promising compound 10k showed the best activity against A549, PC-3, MCF-7 and Hela cancer cell lines and EGFR kinase, with the IC50 values of 0.07±0.02μM, 7.67±0.97μM, 4.65±0.90μM and 4.83±1.28μM, which were equal to more active than afatinib (0.05±0.01μM, 4.1±2.47μM, 5.83±1.89μM and 6.81±1.77μM), respectively. Activity of compounds 10e (IC50 9.1nM) and 10k (IC50 3.6nM) against EGFR kinase were equal to the reference compound afatinib (IC50 1.6nM). Structure-activity relationships (SARs) and docking studies indicated that replacement of the aqueous solubility 4-(dimethylamino)but-2-enamide group by cinnamamide moiety didn't decrease the antitumor activity. The results suggested that methoxy substitution had a significant impact on the activity and methoxy substituted on C-4 or C-2,3,4 position was benefit for the activity. PMID:26906472

  19. Reaction of quinones and guanidine derivatives: simple access to bis-2-aminobenzimidazole moiety of benzosceptrin and other benzazole motifs.

    PubMed

    Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali

    2014-02-01

    A new strategy for the synthesis of 2-aminobenzimidazol-6-ols via a reaction of quinones with guanidine derivatives is reported. Sequential application of this methodology provided a simple access to the first benzosceptrin analogue bearing a bis-2-aminoimidazole moiety. A concomitant addition of two guanidines to the naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione, which includes the redox neutral debenzylation and guanidine-assisted cleavage of the 2-aminopyrimidine part resulted in the synthesis of the free challenging contiguous bis-2-aminoimidazole moiety of benzosceprins in one step. PMID:24479902

  20. Tyrosine B10 triggers a heme propionate hydrogen bonding network loop with glutamine E7 moiety

    SciTech Connect

    Ramos-Santana, Brenda J.; Lopez-Garriga, Juan

    2012-08-10

    Highlights: Black-Right-Pointing-Pointer H-bonding network loop by PheB10Tyr mutation is proposed. Black-Right-Pointing-Pointer The propionate group H-bonding network restricted the flexibility of the heme. Black-Right-Pointing-Pointer The hydrogen bonding interaction modulates the electron density of the iron. Black-Right-Pointing-Pointer Propionate H-bonding network loop explains the heme-ligand stabilization. -- Abstract: Propionates, as peripheral groups of the heme active center in hemeproteins have been described to contribute in the modulation of heme reactivity and ligand selection. These electronic characteristics prompted the question of whether the presence of hydrogen bonding networks between propionates and distal amino acids present in the heme ligand moiety can modulate physiological relevant events, like ligand binding association and dissociation activities. Here, the role of these networks was evaluated by NMR spectroscopy using the hemoglobin I PheB10Tyr mutant from Lucina pectinata as model for TyrB10 and GlnE7 hemeproteins. {sup 1}H-NMR results for the rHbICN PheB10Tyr derivative showed chemical shifts of TyrB10 OH{eta} at 31.00 ppm, GlnE7 N{sub {epsilon}1}H/N{sub {epsilon}2}H at 10.66 ppm/-3.27 ppm, and PheE11 C{sub {delta}}H at 11.75 ppm, indicating the presence of a crowded, collapsed, and constrained distal pocket. Strong dipolar contacts and inter-residues crosspeaks between GlnE7/6-propionate group, GlnE7/TyrB10 and TyrB10/CN suggest that this hydrogen bonding network loop between GlnE7, TyrB10, 6-propionate group, and the heme ligand contribute significantly to the modulation of the heme iron electron density as well as the ligand stabilization mechanism. Therefore, the network loop presented here support the fact that the electron withdrawing character of the hydrogen bonding is controlled by the interaction of the propionates and the nearby electronic environments contributing to the modulation of the heme electron density state. Thus

  1. Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.

    PubMed

    Deshmukh, Mahesh S; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy

    2016-03-21

    Synthesis of new cyclotetrasiloxane scaffolds containing peripherally functionalized 3-pyridyl moieties, [MeSiO(CH═CH(3)Py)]4 (L(1)) and [MeSiO(CH2CH2(3)Py)]4 (L(2)), and their reactivity studies with certain d(10) metal ions are reported. The ligand L(1) is obtained by the Heck-coupling reaction of tetramethyl tetravinyl tetrasiloxane (D4(vi)) and 3-bromopyridine in the presence of the Pd(0) catalysts. The as-synthesized ligand L(1) shows the presence of three stereoisomers, cis-trans-cis (L(1A)), cis-cis-trans (L(1B)), and all-trans (L(1C)), which are quantitatively separated by column chromatography. Subsequent reduction of L(1A), L(1B), and L(1C) with triethylsilane in the presence of catalytic amounts of Pd/C leads to the formation of the ligands L(2A), L(2B), and L(2C) with retention of stereochemistry due to the precursor moieties. Treatment of ZnI2 with L(1A) gives a one-dimensional coordination framework [(L(1A))4(ZnI2)2]∞, 1. These 1D-chains are further connected by π-π stacking interactions between the pyridyl groups of the adjacent chains leading to the formation of a three-dimensional network with the topology of a PtS net. The reaction of silver nitrate with ligand L(1B) gives a chain like one-dimensional cationic coordination polymer {[(L(1B))4Ag2]·2NO3·H2O·CH3OH }∞, 2, consisting of two different kinds of 32-membered macrocycles. Treatment of the all-trans ligand L(2C) with copper(I) iodide salt results in the formation of a cubane-type Cu4I4 cluster MOF [(L(2C))4Cu4I4]∞, 3, in a two-dimensional 4-connected uninodal sql/Shubnikov tetragonal plane net topology represented by the Schläfli symbol {4(4).6(2)}. This MOF displays a thermochromic luminescence behavior due to Cu4I4 clusters showing an orange emission at 298 K and a blue emission at 77 K. PMID:26958986

  2. Perfluorinated Moieties Increase the Interaction of Amphiphilic Block Copolymers with Lipid Monolayers.

    PubMed

    Schwieger, Christian; Blaffert, Jacob; Li, Zheng; Kressler, Jörg; Blume, Alfred

    2016-08-16

    The interaction of amphiphilic and triphilic block copolymers with lipid monolayers has been studied. Amphiphilic triblock copolymer PGMA20-PPO34-PGMA20 (GP) is composed of a hydrophobic poly(propylene oxide) (PPO) middle block that is flanked by two hydrophilic poly(glycerol monomethacrylate) (PGMA) side blocks. The attachment of a perfluoro-n-nonyl residue (F9) to either end of GP yields a triphilic polymer with the sequence F9-PGMA20-PPO34-PGMA20-F9 (F-GP). The F9 chains are fluorophilic, i.e., they have a tendency to demix in hydrophilic as well as in lipophilic environments. We investigated (i) the adsorption of both polymers to differently composed lipid monolayers and (ii) the compression behavior of mixed polymer/lipid monolayers. The lipid monolayers are composed of phospholipids with PC or PE headgroups and acyl chains of different length and saturation. Both polymers interact with lipid monolayers by inserting their hydrophobic moieties (PPO, F9). The interaction is markedly enhanced in the presence of F9 chains, which act as membrane anchors. GP inserts into lipid monolayers up to a surface pressure of 30 mN/m, whereas F-GP inserts into monolayers at up to 45 mN/m, suggesting that F-GP also inserts into lipid bilayer membranes. The adsorption of both polymers to lipid monolayers with short acyl chains is favored. Upon compression, a two-step squeeze-out of F-GP occurs, with PPO blocks being released into the aqueous subphase at 28 mN/m and the F9 chains being squeezed out at 48 mN/m. GP is squeezed out in one step at 28 mN/m because of the lack of F9 anchor groups. The liquid expanded (LE) to liquid condensed (LC) phase transition of DPPC and DMPE is maintained in the presence of the polymers, indicating that the polymers can be accommodated in LE- and LC-phase monolayers. These results show how fluorinated moieties can be included in the rational design of membrane-binding polymers. PMID:27442444

  3. Synthesis and antibacterial activity of novel levofloxacin derivatives containing a substituted thienylethyl moiety

    PubMed Central

    2012-01-01

    Background and the purpose of the study Piperazinyl quinolones such as ciprofloxacin, ofloxacin and levofloxacin are an important group of quinolone antimicrobials which are widely used in the treatment of various infectious diseases. In the present study, we synthesized a new series of levofloxacin derivatives and evaluated their antibacterial activities. Methods The N-substituted analogs of levofloxacin 6a–j were prepared by nucleophilic reaction of N-desmethyl levofloxacin 11 with thienylethyl bromide derivatives 8 or 9. All target compounds were tested using conventional agar dilution method in comparison to levofloxacin and N-desmethyl levofloxacin and their MIC values were determined against a panel of Gram-positive and Gram-negative bacteria. Results All compounds showed significant antibacterial activities against Gram-positive bacteria (MIC = 0.04-6.25 μg/mL); however, the activity against Gram-negative bacteria was lower (MIC = 1.56–100 μg/mL). As is evident from the data, oxime derivatives 6e, 6h and 6i are superior in inhibiting the growth of Gram-positive bacteria (MIC = 0.04–0.19 μg/mL), and their activities were found to be 5–25 times better than N-desmethyl levofloxacin 11 and equal or better than levofloxacin 4. Conclusion We have designed and synthesized novel quinolone derivatives bearing functionalized thienylethyl moiety on the piperazine ring of levofloxacin. The results of antibacterial screening against Gram-positive and Gram-negative bacteria revealed that the introduction of functionalized thienylethyl moiety on the piperazine ring of levofloxacin can improve the activity against Gram-positive bacteria. Gram-positive bacteria are responsible for a wide range of infectious diseases, and rising resistance in this group is causing increasing concern. Thus, this study introduces structural features of levofloxacin scaffold for development of new candidates in the field of anti-Gram positive chemotherapy PMID:23351676

  4. Synthesis and biological activity of furostanic analogues of brassinosteroids bearing the 5alpha-hydroxy-6-oxo moiety.

    PubMed

    Romero-Avila, Margarita; de Dios-Bravo, Guadalupe; Mendez-Stivalet, Jóse M; Rodríguez-Sotres, Rogelio; Iglesias-Arteaga, Martin A

    2007-12-01

    Two furostanic analogues of brassinosteroids bearing the 5alpha-hydroxy-6-oxo moiety were synthesized and their biological activity studied using the bean second internode elongation test. One of the compounds produced significant stimulation at doses of 2.5 and 5ng/plant. PMID:17905389

  5. Synthesis and biological activity of substituted urea and thiourea derivatives containing 1,2,4-triazole moiety

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A series of novel thiourea and urea derivatives carrying 1,2,4-triazole moiety were synthesized and evaluated for their antifungal and larvicidal activity. Thiourea (1a-e) and urea derivatives (2a-e) were prepared by reacting 4-(aminophenyl)acetic acid with corresponding isothiocyanates and isocyana...

  6. Plasmin inhibitors with hydrophobic amino acid-based linker between hydantoin moiety and benzimidazole scaffold enhance inhibitory activity.

    PubMed

    Teno, Naoki; Gohda, Keigo; Yamashita, Yukiko; Otsubo, Tadamune; Yamaguchi, Masafumi; Wanaka, Keiko; Tsuda, Yuko

    2016-05-01

    In this letter we report the design and synthesis of a series of plasmin inhibitors, which share the amino acid-based linker with limited free rotation between the hydantoin moiety and the benzimidazole scaffold. Our studies led to potent plasmin inhibitors and yielded important new insights into their structure-activity relationship for binding to the active site of plasmin. PMID:27009905

  7. Structure-activity relationships of anthranilamide-based factor Xa inhibitors containing piperidinone and pyridinone P4 moieties.

    PubMed

    Corte, James R; Fang, Tianan; Pinto, Donald J P; Han, Wei; Hu, Zilun; Jiang, Xiang-Jun; Li, Yun-Long; Gauuan, Jolicia F; Hadden, Mark; Orton, Darren; Rendina, Alan R; Luettgen, Joseph M; Wong, Pancras C; He, Kan; Morin, Paul E; Chang, Chong-Hwan; Cheney, Daniel L; Knabb, Robert M; Wexler, Ruth R; Lam, Patrick Y S

    2008-05-01

    Introduction of the phenyl piperidinone and phenyl pyridinone P4 moieties in the anthranilamide scaffold led to potent, selective, and orally bioavailable inhibitors of factor Xa. Anthranilamide 28 displayed comparable efficacy to apixaban in the rabbit arteriovenous-shunt (AV) thrombosis model. PMID:18424044

  8. Spithioneines A and B, Two New Bohemamine Derivatives Possessing Ergothioneine Moiety from a Marine-Derived Streptomyces spinoverrucosus

    PubMed Central

    2015-01-01

    Spithioneines A and B (1 and 2), two new bohemamine-type pyrrolizidine alkaloids possessing an unusual ergothioneine moiety, were isolated from a marine-derived Streptomyces spinoverrucosus. Their structures were elucidated by spectroscopic analysis, CD spectra, and chemical degradation and synthesis. Compounds 1 and 2 are rare natural products that incorporate the amino acid ergothioneine. PMID:26024315

  9. Enzymatic synthesis and RNA interference of nucleosides incorporating stable isotopes into a base moiety.

    PubMed

    Hatano, Akihiko; Shiraishi, Mitsuya; Terado, Nanae; Tanabe, Atsuhiro; Fukuda, Kenji

    2015-10-15

    Thymidine phosphorylase was used to catalyze the conversion of thymidine (or methyluridine) and uracil incorporating stable isotopes to deoxyuridine (or uridine) with the uracil base incorporating the stable isotope. These base-exchange reactions proceeded with high conversion rates (75-96%), and the isolated yields were also good (64-87%). The masses of all synthetic compounds incorporating stable isotopes were identical to the theoretical molecular weights via EIMS. (13)C NMR spectra showed spin-spin coupling between (13)C and (15)N in the synthetic compounds, and the signals were split, further proving incorporation of the isotopes into the compounds. The RNA interference effects of this siRNA with uridine incorporating stable isotopes were also investigated. A 25mer siRNA had a strong knockdown effect on the MARCKS protein. The insertion position and number of uridine moieties incorporating stable isotopes introduced into the siRNA had no influence on the silencing of the target protein. This incorporation of stable isotopes into RNA and DNA has the potential to function as a chemically benign tracer in cells. PMID:26404411

  10. [Synthesis of novel beta-aminoalcohols containing nabumetone moiety with potential antidiabetic activity].

    PubMed

    Zhang, Kun; Yan, Ju-fang; Tang, Xue-mei; Liu, Hong-ping; Fan, Li; Zhou, Guang-ming; Yang, Da-cheng

    2011-04-01

    Twenty five new beta-aminoalcohols containing nabumetone moiety were prepared via the reduction of potassium borohydride with a convenient and efficient procedure, starting from beta-aminoketones that have been synthesized by our group. Their chemical structures were determined by IR, MS, 1H NMR, 13C NMR, HR-MS and antidiabetic activities were screened in vitro. Preliminary results revealed that the antidiabetic activity of most beta-aminoalcohols were better than that of the corresponding beta-aminoketones. Although most compounds showed weak antidiabetic activity, the alpha-glucosidase inhibitory activity of compounds 5hd(1) and 5id(2) reached 74.37% and 90.15%, respectively, which were superior to the positive control. The relative peroxisome proliferator-activated receptor response element (PPRE) activity of five compounds were more than 60%, among them compound 5ca possessed the highest activity (112.59%). As lead molecules of antidiabetic agents, compounds 5hd(1), 5id(2) and 5ca deserve further study. PMID:21751495

  11. Synthesis and antidiabetic performance of β-amino ketone containing nabumetone moiety.

    PubMed

    Wang, Hang; Yan, Ju-fang; Song, Xiao-li; Fan, Li; Xu, Jin; Zhou, Guang-ming; Jiang, Li; Yang, Da-cheng

    2012-03-15

    We wish to report the further design and improved synthesis that resulted in two series of target molecules, TM-1 and TM-2, with remarkably simplified structures containing β-amino ketone of discrete nabumetone moiety. These were obtained via a 'one-pot, two-step, three-component' protocol of Mannich reaction with yield up to 97%. A total of 28 out of 31 new compounds were characterized using (1)H NMR, (13)C NMR, ESI MS and HRMS techniques. Studies on their antidiabetic activities, screened in vitro at 10 μg mL(-1) level, indicate that TM-2 possesses peroxisome proliferator-activated receptor activation and α-glucosidase inhibition activity significantly stronger than that of TM-1, and also that of the series B compounds that were previously synthesized by the group. Analysis of the structure-activity relationship points to the sulfanilamide unit as the most probable potent group of β-amino ketone and, on the basis of which, a tangible strategy is presented for the development of new antidiabetic drugs. PMID:22364952

  12. In vitro labeling of the sialic acid moiety of glycoconjugates with carbon-14

    SciTech Connect

    Carubelli, R.; Wen, G.; McCaffree, D.R.

    1984-03-01

    Labeling of sialoglycoproteins with carbon-14 in vitro was performed by reacting the aldehyde groups, generated by mild periodate oxidation of the terminal sialyl groups, with /sup 14/C-labeled sodium cyanide to produce the labeled cyanohydrin derivatives (Kiliani reaction). Labeling with tritium was carried out by reduction by the aldehyde groups generated on the sialyl residues with /sup 3/H-labeled sodium borohydride following standard procedures. The behavior of both types of labeled specimens of fetuin and ovine submaxillary mucin, individually and in mixtures, was investigated by gel-filtration chromatography, gel electrophoresis, and cesium bromide gradient ultracentrifugation. The labeled sialyl residues were subjected to partial characterization; color yield with the resorcinol and thiobarbituric acid reagents, behavior on ion-exchange chromatography, and susceptibility to mild acid and enzymatic hydrolyses. In addition to these model glycoproteins, this procedure was also utilized to label the sialoglycoproteins present in human tracheobronchial secretions collected from normal subjects and patients with chronic bronchitis. The potential uses of this approach for comparative studies of normal and pathological sialoglycoconjugates available in minute amounts is described. The extension of this approach to the labeling of the galactosyl and N-acetylgalactosaminyl moieties of glycoconjugates following treatment with galactose oxidase is outlined. 21 references.

  13. Inhibitory effects of the guanine moiety on Suzuki couplings of unprotected halonucleosides in aqueous media.

    PubMed

    Western, Elizabeth C; Shaughnessy, Kevin H

    2005-08-01

    In the Suzuki arylations of unprotected halonucleosides in aqueous media, 8-bromo-2'-deoxyguanosine (8BrdG) couplings were slower to reach completion than the corresponding 8-bromo-2'-deoxyadenosine (8BrdA) couplings. The guanine moiety has an acidic proton, which under our Suzuki conditions (pH congruent with 10) may be deprotonated to give an anion that can coordinate to palladium. The possibility that guanine coordination was responsible for the observed slower rates was explored using additive experiments in which nonhalogenated nucleosides were added to the Suzuki coupling reaction of 8BrdA or 4-bromotoluene and PhB(OH)2 and the reaction progress monitored by HPLC or GC. Adding dG slowed these reactions, and an induction period was observed. The addition of dA or 1-methyl-2'-deoxyguanosine (1MedG) to these couplings did not affect the rate of conversion to product. Guanine coordination was further explored using 13C and 31P NMR spectroscopy, which implies that guanine is coordinating to palladium through N-1 or O-6, or both. Furthermore, the presence of dG inhibited the formation of the active palladium(0) catalytic species, which may account for both the observed induction period and the sluggishness of reactions where guanine is involved. PMID:16050700

  14. Preparation of Sticky Escherichia coli through Surface Display of an Adhesive Catecholamine Moiety

    PubMed Central

    Park, Joseph P.; Choi, Min-Jung; Kim, Se Hun

    2014-01-01

    Mussels attach to virtually all types of inorganic and organic surfaces in aqueous environments, and catecholamines composed of 3,4-dihydroxy-l-phenylalanine (DOPA), lysine, and histidine in mussel adhesive proteins play a key role in the robust adhesion. DOPA is an unusual catecholic amino acid, and its side chain is called catechol. In this study, we displayed the adhesive moiety of DOPA-histidine on Escherichia coli surfaces using outer membrane protein W as an anchoring motif for the first time. Localization of catecholamines on the cell surface was confirmed by Western blot and immunofluorescence microscopy. Furthermore, cell-to-cell cohesion (i.e., cellular aggregation) induced by the displayed catecholamine and synthesis of gold nanoparticles on the cell surface support functional display of adhesive catecholamines. The engineered E. coli exhibited significant adhesion onto various material surfaces, including silica and glass microparticles, gold, titanium, silicon, poly(ethylene terephthalate), poly(urethane), and poly(dimethylsiloxane). The uniqueness of this approach utilizing the engineered sticky E. coli is that no chemistry for cell attachment are necessary, and the ability of spontaneous E. coli attachment allows one to immobilize the cells on challenging material surfaces such as synthetic polymers. Therefore, we envision that mussel-inspired catecholamine yielded sticky E. coli that can be used as a new type of engineered microbe for various emerging fields, such as whole living cell attachment on versatile material surfaces, cell-to-cell communication systems, and many others. PMID:24123747

  15. Design, Synthesis, Acaricidal Activity, and Mechanism of Oxazoline Derivatives Containing an Oxime Ether Moiety.

    PubMed

    Li, Yongqiang; Li, Chaojie; Zheng, Yanlong; Wei, Xingcun; Ma, Qiaoqiao; Wei, Peng; Liu, Yuxiu; Qin, Yaoguo; Yang, Na; Sun, Yufeng; Ling, Yun; Yang, Xinling; Wang, Qingmin

    2014-03-27

    Two series of novel 2,4-diphenyl-1,3-oxazolines containing an oxime ether moiety were designed and synthesized via the key intermediate N-(2-chloro-1-(p-tolyl)ethyl)-2,6-difluorobenzamide. The bioassay results showed that the target compounds with an oxime ether substituent at the para position of 4-phenyl exhibited excellent acaricidal activity against Tetranychus cinnabarinus in the laboratory. Moreover, all of the target compounds had much higher activities than etoxazole, as the ovicidal and larvicidal activities of the target compounds I-a-I-l and II-a-II-n against T. cinnabarinus were all over 90% at 0.001 mg L(-1), but etoxazole gave only 30% and 40% respectively at the same concentration. The activity order of compounds with regard to acaricidal activity in vivo was almost consistent with their affinity activity with sulfonylurea receptor (SUR) of Blattella germanica in vitro, hence, it was supposed that the acaricidal mechanism of action of the target compounds was that they can bind with the site of SUR and therefore inhibit chitin synthesis. Moreover, the eminent effect of the compound II-l, [2-(trifluoromethyl)benzaldehyde O-(4-(2-(2,6-difluorophenyl)-4,5-dihydrooxazol-4-yl)benzyl) oxime], against Panonychus citri and T. cinnabarinus in the field indicated that II-l exhibited a promising application prospect as a new candicate for controlling spider mites in the field. PMID:24673392

  16. Design, Synthesis, and Acaricidal/Insecticidal Activities of Oxazoline Derivatives Containing a Sulfur Ether Moiety.

    PubMed

    Yu, Xiuling; Liu, Yuxiu; Li, Yongqiang; Wang, Qingmin

    2015-11-11

    On the basis of etoxazole, a series of novel 2-(2,6-difluorophenyl)-4-(4-substituted phenyl)-1,3-oxazolines containing a sulfur ether moiety were designed and synthesized via the key intermediate N-(1-(4-(bromomethyl)phenyl)-2-chloroethyl)-2,6-difluorobenzamide. The bioassay results showed that most of these designed target compounds exhibited excellent acaricidal activity against both the eggs and larvae of Tetranychus cinnabarinus, especially the eggs. Among compounds with high activity against the eggs of mites, the LC50 values of 2, 11, 17, and 19 were 0.0003, 0.0002, 0.0005, and 0.0008 mg L(-1), respectively, much lower than that of etoxazole (0.0089 mg L(-1)). Compound 2 was chosen to evaluate the acaricidal activity in the field, and the results displayed that at a concentration of 22 mg kg(-1), 2 had a much better control effect than etoxazole against both T. cinnabarinus and P. latus on eggplant. Some compounds also showed good insecticidal activities against oriental armyworm and mosquito. On the basis of our research, the newly found structure-activity relationship may guide the development of new acaricides/pesticides that are required in the agriculture market. PMID:26499937

  17. Flexible enantioselectivity of tryptophanase attributable to benzene ring in heterocyclic moiety of d-tryptophan.

    PubMed

    Shimada, Akihiko; Ozaki, Haruka

    2012-01-01

    The invariance principle of enzyme enantioselectivity must be absolute because it is absolutely essential to the homochiral biological world. Most enzymes are strictly enantioselective, and tryptophanase is one of the enzymes with extreme absolute enantioselectivity for L-tryptophan. Contrary to conventional knowledge about the principle, tryptophanase becomes flexible to catalyze D-tryptophan in the presence of diammonium hydrogenphosphate. Since D-amino acids are ordinarily inert or function as inhibitors even though they are bound to the active site, the inhibition behavior of D-tryptophan and several inhibitors involved in this process was examined in terms of kinetics to explain the reason for this flexible enantioselectivity in the presence of diammonium hydrogenphosphate. Diammonium hydrogenphosphate gave tryptophanase a small conformational change so that D-tryptophan could work as a substrate. As opposed to other D-amino acids, D-tryptophan is a very bulky amino acid with a benzene ring in its heterocyclic moiety, and so we suggest that this structural feature makes the catalysis of D-tryptophan degradation possible, consequently leading to the flexible enantioselectivity. The present results not only help to understand the mechanism of enzyme enantioselectivity, but also shed light on the origin of homochirality. PMID:25382167

  18. Design, synthesis and SAR study of novel sulfonylureas containing an alkenyl moiety.

    PubMed

    Wei, Wei; Cheng, Dandan; Liu, Jingbo; Li, Yuxin; Ma, Yi; Li, Yonghong; Yu, Shujing; Zhang, Xiao; Li, Zhengming

    2016-09-21

    A series of sulfonylurea compounds was designed and synthesized via introducing an alkenyl moiety into the aryl-5 position and most title compounds exhibited enhanced antifungal activities and limited herbicidal activities compared with chlorsulfuron. Then, a CoMSIA calculation for antifungal activities was carried out to establish a 3D-QSAR model in which a cross-validated q(2) of 0.585 and a correlation coefficient r(2) of 0.989 were obtained. The derived model revealed that hydrophobic and electrostatic fields were the two most important factors for antifungal activity. Structure optimization was performed according to the CoMSIA model and compound 9z was found to be as potent as chlorothalonil in vitro against C. cornigerum, the pathogen of the wheat sharp eyespot disease. In order to study the fungicidal mechanism, 9z was successfully docked into yeast AHAS using a flexible molecular docking method and the resulting binding pattern was similar to that of chlorimuron-ethyl, indicating that the antifungal activity of compounds 9 was probably due to the inhibition of fungal AHAS. PMID:27533925

  19. Gold(I) thiolates containing amino acid moieties. Cytotoxicity and structure-activity relationship studies.

    PubMed

    Gutiérrez, Alejandro; Gracia-Fleta, Lucia; Marzo, Isabel; Cativiela, Carlos; Laguna, Antonio; Gimeno, M Concepción

    2014-12-01

    Several gold(I) complexes containing a thiolate ligand functionalised with several amino acid or peptide moieties of the type [Au(SPyCOR)(PPh2R')] (where R = OH, amino acid or dipeptide and R' = Ph or Py) were prepared. These thiolate gold complexes bearing biological molecules possess potential use as antitumor agents. Cytotoxicity assays in different tumour cell lines such as A549 (lung carcinoma), Jurkat (T-cell leukaemia) and MiaPaca2 (pancreatic carcinoma) revealed that the complexes exhibit good antiproliferative activity, with IC50 values in the low micromolar range. Several structural modifications such as in the type of phosphine, number of metal atoms and amino acid (type, stereochemistry and functionalisation) were carried out in order to establish the structure-activity relationship in this family of complexes, which has led to the design of new and more potent cytotoxic complexes. Observations of different cellular events after addition of the complexes indicated the possible mechanism of action or the biological targets of this type of new gold(I) drug. PMID:25302929

  20. Multi-responsible chameleon molecule with chiral naphthyl and azobenzene moieties.

    PubMed

    Kim, Dae-Yoon; Lee, Sang-A; Park, Minwook; Choi, Yu-Jin; Kang, Shin-Woong; Jeong, Kwang-Un

    2015-04-21

    A photochromic chiral molecule with azobenzene mesogens and a (R)-configuration naphthyl moiety (abbreviated as NCA2M) was specifically designed and synthesized for the demonstration of chameleon-like color changes responding to multitudinous external stimuli, such as temperature, light and electric field. The basic phase transition behaviors of NCA2M were first studied by the combination of differential scanning calorimetry (DSC) and polarized optical microscopy (POM). Based on the structure-sensitive X-ray diffraction results obtained at different temperatures, it was comprehended that the NCA2M molecule exhibited the tilted version of highly ordered smectic crystal phase with 5.45 nm layer thickness. Chiral nematic (N*) liquid crystals (LC) with helical superstructures were formed by doping the NCA2M photochromic chiral molecule in an achiral nematic (N) LC medium. By controlling the helical pitch length of N*-LC with respect to temperature, light and electric field, the wavelength of selectively reflected light from the N* photonic crystal was finely tuned. The light-induced color change of N*-LC film was the most efficient method for covering the whole visible region from blue to green and to red, which allowed us to fabricate remote-controllable photo-responsive devices. PMID:25742914

  1. Synthesis and Characterization of Thermally Stable Photocurable Polymer with Cyclohexane Moiety.

    PubMed

    Kim, Dong Mm; Yu, Seong Hun; Lee, Jun Young

    2016-03-01

    Photocurable polymers with high transparency and thermal stability were synthesized by reaction between a commercial epoxy resin (NC9110) containing cyclohexane moiety and various kinds of cinnamic acids such as trans-cinnamic acid (CA), 3-hydroxy-trans-cinnamic acid (HCA) and 4-methoxy-trans-cinnamic acid (MCA). The photocurable polymers were synthesized with equal equivalent weight ratio of epoxy and cinnamate group. The chemical structures of the synthesized polymers were confirmed by 1H-NMR and FT-IR spectroscopies. Optical transmittance and thermal stability of the photocured polymers were investigated using UV-Visible spectroscopy and thermogravimetric analysis (TGA), respectively. It was confirmed that the polymers could form thin films with very smooth surface and could be efficiently cured by UV irradiation. It was also found that the polymer after curing showed a good thermal stability and optical transmittance. There was no significant transmittance change after heat treatment at 250 degrees C for 1 h and showed no noticeable weight loss up to 360 degrees C. PMID:27455682

  2. Characterization of the formation of the pyrrole moiety during clorobiocin and coumermycin A1 biosynthesis.

    PubMed

    Garneau, Sylvie; Dorrestein, Pieter C; Kelleher, Neil L; Walsh, Christopher T

    2005-03-01

    The aminocoumarin antibiotics clorobiocin and coumermycin A(1) target the B subunit of DNA gyrase by presentation of the 5-methyl-pyrrolyl-2-carboxy ester moiety in the ATP-binding site of the enzyme. The pyrrolyl pharmacophore is derived by a four electron oxidation of a prolyl unit while tethered in phosphopantetheinyl thioester linkage to a peptidyl carrier protein (PCP) subunit. l-Proline is selected and activated as l-prolyl-AMP by adenylation domain enzymes (CloN4 and CouN4) and then installed as the thioester on the holo form of the PCP proteins CloN5 and CouN5. Enzymatic oxidation of the prolyl-S-PCP by the flavoprotein dehydrogenase CloN3 can be followed by rapid quench and subsequent electrospray ionization-Fourier transform mass spectrometry analysis of the acyl-S-protein substrate/product mixture to establish that a two-electron oxidized pyrrolinyl-S-enzyme transiently accumulates on the way to the four-electron oxidized, heteroaromatic pyrrolyl-2-carboxy-S-PCP acyl enzyme product. PMID:15723521

  3. Synthesis of N-hydroxycinnamides capped with a naturally occurring moiety as inhibitors of histone deacetylase.

    PubMed

    Huang, Wei-Jan; Chen, Ching-Chow; Chao, Shi-Wei; Lee, Shoei-Sheng; Hsu, Fen-Lin; Lu, Yeh-Lin; Hung, Ming-Fang; Chang, Chung-I

    2010-04-01

    Histone deacetylase (HDAC) inhibitors are regarded as promising therapeutics for the treatment of cancer. All reported HDAC inhibitors contain three pharmacophoric features: a zinc-chelating group, a hydrophobic linker, and a hydrophobic cap for surface recognition. In this study we investigated the effectiveness of osthole, a hydrophobic Chinese herbal compound, as the surface recognition cap in hydroxamate-based compounds as inhibitors of HDAC. Nine novel osthole-based N-hydroxycinnamides were synthesized and screened for enzyme inhibition activity. Compounds 9 d, 9 e, 9 g exhibited inhibitory activities (IC(50)=24.5, 20.0, 19.6 nM) against nuclear HDACs in HeLa cells comparable to that of suberoylanilide hydroxamic acid (SAHA; IC(50)=24.5 nM), a potent inhibitor clinically used for the treatment of cutaneous T-cell lymphoma (CTCL). While compounds 9 d and 9 e showed SAHA-like activity towards HDAC1 and HDAC6, compound 9 g was more selective for HDAC1. Compound 9 d exhibited the best cellular effect, which was comparable to that of SAHA, of enhancing acetylation of either alpha-tubulin or histone H3. Molecular docking analysis showed that the osthole moiety of compound 9 d may interact with the same hydrophobic surface pocket exploited by SAHA and it may be modified to provide class-specific selectivity. These results suggest that osthole is an effective hydrophobic cap when incorporated into N-hydroxycinnamide-derived HDAC inhibitors. PMID:20209563

  4. IgE reactivity to carbohydrate moieties of glycoproteins in wheat allergy.

    PubMed

    Song, Tae Won; Hong, Jung Yeon; Lee, Kyung Eun; Kim, Mi Na; Kim, Yoon Hee; Lee, Soo-Young; Kim, Kyung Won; Sohn, Myung Hyun; Kim, Kyu-Earn

    2015-01-01

    Carbohydrate moieties of different glycoproteins, such as cross-reactive carbohydrate determinants (CCDs) and galactose α-1,3-galactose, can induce IgE reactivity with varied clinical significance. In this study, the possible participation of glycan from wheat gliadin, with respect to its IgE-binding capacity, was investigated in children with food allergies to wheat. Total IgE and wheat-specific IgE quantification, documentation of history, and/or oral food challenge (OFC) were performed for 52 children. Subjects with positive wheat-specific IgE were characterized as the symptomatic group, never-exposed group, or asymptomatic group. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and glycan detection in gliadin were performed. IgE binding to gliadin and deglycosylated gliadin was measured by immunoblotting and ELISA. Gliadin-specific IgE was detected and correlated with wheat-specific IgE in the symptomatic, never-exposed, and asymptomatic groups. The glycan range overlapped significantly with the gliadin range. Deglycosylation of gliadin reduced the allergenicity of gliadin. In gliadin, the allergenicity of the glycan portion was greater in the symptomatic group than in the never-exposed and asymptomatic groups. We conclude that N-glycan in gliadin might exhibit allergenicity as a possible carbohydrate epitope in wheat allergy in children. PMID:25976436

  5. Facile Synthesis and Antimicrobial Evaluation of Some New Heterocyclic Compounds Incorporating a Biologically Active Sulfamoyl Moiety

    PubMed Central

    Darwish, Elham S.

    2014-01-01

    A facile and convenient synthesis of new heterocyclic compounds containing a sulfamoyl moiety suitable for use as antimicrobial agents was reported. The precursor 3-oxo-3-phenyl-N-(4-sulfamoylphenyl)propionamide was coupled smoothly with arenediazonium salt producing hydrazones which reacted with malononitrile or triethylorthoformate affording pyridazine and triazine derivatives, respectively. Also, the reactivity of the same precursor with DMF-DMA was followed by aminotriazole; aromatic aldehydes was followed by hydrazine hydrate, triethylorthoformate, or thiourea affording triazolo[1,5-a]pyrimidine, pyrazole, acrylamide, and dihydropyrimidine derivatives, respectively. On the other hand, treatment of the precursor propionamide with phenyl isothiocyanate and KOH in DMF afforded the intermediate salt which was treated with dilute HCl followed by 2-bromo-1-phenylethanone affording carboxamide derivative. While the same intermediate salt reacted in situ with chloroacetone, ethyl 2-chloroacetate, 3-(2-bromoacetyl)-2H-chromen-2-one, methyl iodide, or 2-oxo-N-phenylpropane hydrazonoyl chloride afforded the thiophene, ketene N,S-acetal, and thiadiazole derivatives, respectively. The structure of the new products was established based on elemental and spectral analysis. Antimicrobial evaluation of some selected examples from the synthesized products was carried out whereby four compounds were found to have moderate activities and one compound showed the highest activity. PMID:25215312

  6. Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere

    PubMed Central

    2015-01-01

    Bioisosteric replacements are widely used in medicinal chemistry to improve physicochemical and ADME properties of molecules while retaining or improving affinity. Here, using the p53 cancer mutant Y220C as a test case, we investigate both computationally and experimentally whether an ethynyl moiety is a suitable bioisostere to replace iodine in ligands that form halogen bonds with the protein backbone. This bioisosteric transformation is synthetically feasible via Sonogashira cross-coupling. In our test case of a particularly strong halogen bond, replacement of the iodine with an ethynyl group resulted in a 13-fold affinity loss. High-resolution crystal structures of the two analogues in complex with the p53-Y220C mutant enabled us to correlate the different affinities with particular features of the binding site and subtle changes in ligand binding mode. In addition, using QM calculations and analyzing the PDB, we provide general guidelines for identifying cases where such a transformation is likely to improve ligand recognition. PMID:26378745

  7. Synthesis, Characterization and Anti-Cancer Activity of Hydrazide Derivatives Incorporating a Quinoline Moiety.

    PubMed

    Bingul, Murat; Tan, Owen; Gardner, Christopher R; Sutton, Selina K; Arndt, Greg M; Marshall, Glenn M; Cheung, Belamy B; Kumar, Naresh; Black, David StC

    2016-01-01

    Identification of the novel (E)-N'-((2-chloro-7-methoxyquinolin-3-yl)methylene)-3-(phenylthio)propanehydrazide scaffold 18 has led to the development of a new series of biologically active hydrazide compounds. The parent compound 18 and new quinoline derivatives 19-26 were prepared from the corresponding quinoline hydrazones and substituted carboxylic acids using EDC-mediated peptide coupling reactions. Further modification of the parent compound 18 was achieved by replacement of the quinoline moiety with other aromatic systems. All the newly synthesized compounds were evaluated for their anti-cancer activity against the SH-SY5Y and Kelly neuroblastoma cell lines, as well as the MDA-MB-231 and MCF-7 breast adenocarcinoma cell lines. Analogues 19 and 22 significantly reduced the cell viability of neuroblastoma cancer cells with micromolar potency and significant selectivity over normal cells. The quinoline hydrazide 22 also induced G₁ cell cycle arrest, as well as upregulation of the p27(kip1) cell cycle regulating protein. PMID:27428941

  8. Preparation of sticky Escherichia coli through surface display of an adhesive catecholamine moiety.

    PubMed

    Park, Joseph P; Choi, Min-Jung; Kim, Se Hun; Lee, Seung Hwan; Lee, Haeshin

    2014-01-01

    Mussels attach to virtually all types of inorganic and organic surfaces in aqueous environments, and catecholamines composed of 3,4-dihydroxy-l-phenylalanine (DOPA), lysine, and histidine in mussel adhesive proteins play a key role in the robust adhesion. DOPA is an unusual catecholic amino acid, and its side chain is called catechol. In this study, we displayed the adhesive moiety of DOPA-histidine on Escherichia coli surfaces using outer membrane protein W as an anchoring motif for the first time. Localization of catecholamines on the cell surface was confirmed by Western blot and immunofluorescence microscopy. Furthermore, cell-to-cell cohesion (i.e., cellular aggregation) induced by the displayed catecholamine and synthesis of gold nanoparticles on the cell surface support functional display of adhesive catecholamines. The engineered E. coli exhibited significant adhesion onto various material surfaces, including silica and glass microparticles, gold, titanium, silicon, poly(ethylene terephthalate), poly(urethane), and poly(dimethylsiloxane). The uniqueness of this approach utilizing the engineered sticky E. coli is that no chemistry for cell attachment are necessary, and the ability of spontaneous E. coli attachment allows one to immobilize the cells on challenging material surfaces such as synthetic polymers. Therefore, we envision that mussel-inspired catecholamine yielded sticky E. coli that can be used as a new type of engineered microbe for various emerging fields, such as whole living cell attachment on versatile material surfaces, cell-to-cell communication systems, and many others. PMID:24123747

  9. Requirements for Carnitine Shuttle-Mediated Translocation of Mitochondrial Acetyl Moieties to the Yeast Cytosol

    PubMed Central

    van Rossum, Harmen M.; Kozak, Barbara U.; Niemeijer, Matthijs S.; Dykstra, James C.; Luttik, Marijke A. H.; van Maris, Antonius J. A.

    2016-01-01

    ABSTRACT In many eukaryotes, the carnitine shuttle plays a key role in intracellular transport of acyl moieties. Fatty acid-grown Saccharomyces cerevisiae cells employ this shuttle to translocate acetyl units into their mitochondria. Mechanistically, the carnitine shuttle should be reversible, but previous studies indicate that carnitine shuttle-mediated export of mitochondrial acetyl units to the yeast cytosol does not occur in vivo. This apparent unidirectionality was investigated by constitutively expressing genes encoding carnitine shuttle-related proteins in an engineered S. cerevisiae strain, in which cytosolic acetyl coenzyme A (acetyl-CoA) synthesis could be switched off by omitting lipoic acid from growth media. Laboratory evolution of this strain yielded mutants whose growth on glucose, in the absence of lipoic acid, was l-carnitine dependent, indicating that in vivo export of mitochondrial acetyl units to the cytosol occurred via the carnitine shuttle. The mitochondrial pyruvate dehydrogenase complex was identified as the predominant source of acetyl-CoA in the evolved strains. Whole-genome sequencing revealed mutations in genes involved in mitochondrial fatty acid synthesis (MCT1), nuclear-mitochondrial communication (RTG2), and encoding a carnitine acetyltransferase (YAT2). Introduction of these mutations into the nonevolved parental strain enabled l-carnitine-dependent growth on glucose. This study indicates intramitochondrial acetyl-CoA concentration and constitutive expression of carnitine shuttle genes as key factors in enabling in vivo export of mitochondrial acetyl units via the carnitine shuttle. PMID:27143389

  10. Activation of protein kinase C by the lipid moieties of lipopolysaccharide

    SciTech Connect

    Wightman, P.D.; Raetz, C.R.H.

    1986-03-01

    Protein kinase C (PKC) was partially purified from the RAW264.7 macrophage-like cell and characterized by its activation by phosphatidylserine (PS) in the presence of calcium and its insensitivity to cyclic nucleotides or calmodulin. This PKC can also be activated by the acidic lipid moieties of lipopolysaccharide (LPS). The LPS lipids activate PKC in the absence of PS and, like PS, synergize with diacylglycerol (DAG). Intact RAW264.7 cells were prelabelled with /sup 32/Pi and treated with the well characterized PKC ligands, phorbol myristate acetate (PMA) or DAG. The phosphoproteins thereby induced were separated in 2-D gels and visualized by autoradiography. These phosphoproteins were used as standards to identify the PKC-associated phosphoproteins induced in these cells using other stimulators. The authors demonstrate that the LPS lipids as well as LPS itself induce the formation of phosphoproteins common to those induced by PMA or DAG. PMA, DAG, the LPS lipids, and LPS itself activate the RAW264.7 cell and stimulate the release of prostaglandin D/sub 2/ at the same concentration that stimulate new protein phosphorylation. These results suggest that the activation of PKC is an early event in the activation of the RAW264.7 macrophage by LPS.

  11. Comparative screening of plant essential oils: phenylpropanoid moiety as basic core for antiplatelet activity.

    PubMed

    Tognolini, M; Barocelli, E; Ballabeni, V; Bruni, R; Bianchi, A; Chiavarini, M; Impicciatore, M

    2006-02-23

    Essential oils extracted from different plants (Anthemis nobilis L., Artemisia dracunculus L., Cannabis sativa L., Cupressus sempervirens L., Cymbopogon citratus (DC.) Stapf., Curcuma longa L., Foeniculum vulgare L., Hypericum perforatum L., Hyssopus officinalis L., Mentha spicata L., Monarda didyma L., Ocimum basilicum L., Ocotea quixos Kosterm., Origanum vulgare L., Pinus nigra J.F. Arnold, Pinus silvestris L., Piper crassinervium Kunth., Rosmarinus officinalis L., Salvia officinalis L., Salvia sclarea L., Santolina chamaecyparissus L., Thymus vulgaris L., Zingiber officinaie L.) were screened in guinea pig and rat plasma in order to assess antiplatelet activity and inhibition of clot retraction. The oils were chemically analysed and a relationship between components and ability to affect hemostasis was evidenced. O. quixos, F. vulgaris, and A. dracunculus showed the highest antiplatelet activity against ADP, Arachidonic Acid and the Thromboxane A2 agonist U46619 (IC50, 4-132 microg ml(-1)), and a good ability to destabilize clot retraction (IC50, 19-180 microg ml(-1)). For these oils a significant correlation between antiplatelet potency and phenylpropanoids content (54-86%) was evidenced thus suggesting a key role for this moiety in the prevention of clot formation. These findings provide the rationale to take in account the antiplatelet activity in the pharmacological screening of natural products containing phenylpropanoids. PMID:16274702

  12. Engineering DNA Three-Way Junction with Multifunctional Moieties: Sensing Platform for Bioanalysis.

    PubMed

    Zhang, Libing; Guo, Shaojun; Zhu, Jinbo; Zhou, Zhixue; Li, Tao; Li, Jing; Dong, Shaojun; Wang, Erkang

    2015-11-17

    Functionalization of DNA nanostructures is critical to the achievement of the application in biosensors. Herein, we demonstrate a novel DNA three-way junction (TWJ) with three functional moieties, which integrates the electrochemical, fluorescent, and colorimetric properties. Upon addition of external stimuli, including DNA, thrombin, and ATP, the specific interactions between targets and sensing elements could induce strand displacement reaction and conformation transformation, resulting in the integration of G-quadruplex/hemin complex as electrochemical probe, lighting up the fluorescence of DNA/Ag nanoclusters and enhancing the catalytic activity of DNAzyme to catalyze the H2O2-TMB system to generate colorimetric signal. Such a functional DNA nanostructure actually serves as a biosensing platform, showing high sensitivity and selectivity for DNA, thrombin, and ATP detection. Furthermore, We also show that this novel sensing platform can be utilized to detect three different kinds of targets independently and simultaneously. Our integrated concept provides a paradigm for exploring the potential of TWJs in analytical applications. PMID:26509479

  13. Hydrogen Peroxide Generation and Biocompatibility of Hydrogel-Bound Mussel Adhesive Moiety

    PubMed Central

    Meng, Hao; Li, Yuting; Faust, Madeline; Konst, Shari; Lee, Bruce P.

    2015-01-01

    To decouple the extracellular oxidative toxicity of catechol adhesive moiety from its intracellular non-oxidative toxicity, dopamine was chemically bound to a non-degradable polyacrylamide hydrogel through photo-initiated polymerization of dopamine methacrylamide (DMA) with acrylamide monomers. Network-bound dopamine released cytotoxic levels of H2O2 when its catechol side chain oxidized to quinone. Introduction of catalase at a concentration as low as 7.5 U/mL counteracted the cytotoxic effect of H2O2 and enhanced the viability and proliferation rate of fibroblasts. These results indicated that H2O2 generation is one of the main contributors to the cytotoxicity of dopamine in culture. Additionally, catalase is a potentially useful supplement to suppress the elevated oxidative stress found in typical culture conditions and can more accurately evaluate the biocompatibility of mussel-mimetic biomaterials. The release of H2O2 also induced a higher foreign body reaction to catechol-modified hydrogel when it was implanted subcutaneously in rat. Given that H2O2 has a multitude of biological effects, both beneficiary and deleterious, regulation of H2O2 production from catechol-containing biomaterials is necessary to optimize the performance of these materials for a desired application. PMID:25676582

  14. Efficient Synthesis of Conformationally Restricted Apoptosis Inhibitors Bearing a Triazole Moiety.

    PubMed

    Corredor, Miriam; Garrido, Maria; Bujons, Jordi; Orzáez, Mar; Pérez-Payá, Enrique; Alfonso, Ignacio; Messeguer, Angel

    2015-09-28

    Apoptosis is a biological process relevant to different human diseases that is regulated through protein-protein interactions and complex formation. Peptidomimetic compounds based on linear peptoids and cyclic analogues with different ring sizes have been previously reported as potent apoptotic inhibitors. Among them, the presence of cis/trans conformers of an exocyclic tertiary amide bond in slow exchange has been characterized. This information encouraged us to perform an isosteric replacement of the amide bond by a 1,2,3-triazole moiety, in which different substitution patterns would mimic different amide rotamers. The syntheses of these restricted analogues have been carried out through an Ugi multicomponent reaction followed by an intramolecular cyclization. The unexpected formation of a β-lactam scaffold prompted us to study the course of the intramolecular cyclization of the Ugi adducts. In order to modulate this cyclization, a small library of compounds bearing both heterocyclic scaffolds has been synthesized and their activities as apoptosis inhibitors have been evaluated. PMID:26270744

  15. Sulforaphane Analogues with Heterocyclic Moieties: Syntheses and Inhibitory Activities against Cancer Cell Lines.

    PubMed

    Shi, Ye-Hui; Dai, Dong-Fang; Li, Jing; Dong, Yan-Wei; Jiang, Yin; Li, Huan-Gong; Gao, Yuan; Chong, Chuan-Ke; Li, Hui-Ying; Chu, Xiao-Qian; Yang, Cheng; Zhang, Quan; Tong, Zhong-Sheng; Bai, Cui-Gai; Chen, Yue

    2016-01-01

    Recent studies have shown that sulforaphane (SFN) selectively inhibits the growth of ALDH⁺ breast cancer stem-like cells.Herein, a series of SFN analogues were synthesized and evaluated against breast cancer cell lines MCF-7 and SUM-159, and the leukemia stem cell-like cell line KG-1a. These SFN analogues were characterized by the replacement of the methyl group with heterocyclic moieties, and the replacement of the sulfoxide group with sulfide or sulfone. A growth inhibitory assay indicated that the tetrazole analogs 3d, 8d and 9d were significantly more potent than SFN against the three cancer cell lines. Compound 14c, the water soluble derivative of tetrazole sulfide 3d, demonstrated higher potency against KG-1a cell line than 3d. SFN, 3d and 14c significantly induced the activation of caspase-3, and reduced the ALDH⁺ subpopulation in the SUM159 cell line, while the marketed drug doxrubicin(DOX) increased the ALDH⁺ subpopulation. PMID:27110751

  16. Self-assembled layers based on isomerizable stilbene and diketoarylhydrazone moieties.

    PubMed

    Marten, Jan; Erbe, Andreas; Critchley, Kevin; Bramble, Jonathan P; Weber, Edwin; Evans, Stephen D

    2008-03-18

    The ability to form self-assembled layers on gold (Au) using five organosulfur compounds that contain isomerizable groups has been investigated. The isomerizable groups are either stilbene or diketoarylhydrazone derivatives. To anchor them on a gold surface, the isomerizable groups have been combined with sulfur-containing groups (disulfide, 1,2-dithiolane, and thiophene). The resulting thin films assembled on gold were characterized by X-ray photoelectron spectroscopy (XPS), infrared (FTIR) reflectance spectroscopy, ellipsometry, and water contact angle measurements. Though all substances have the potential to form self-assembled monolayers (SAMs), only two of them, disulfanediyl-bis(ethane-2,1-diyl) bis(4-styrylbenzoate) (1) and 4-[(2,4-dioxo-3-pentylidene)diazane-2,2,1-triyl]phenyl thioctate (4), yield the expected structure, the latter one showing the possibility to incorporate diarylketohydrazone moieties into SAMs. The compound 4-[(2,4-dioxo-3-pentylidene)diazane-2,2,1-triyl]phenyl thiophene-2-carboxylate (5) does not self-assemble on gold, but 4-styrylphenyl thioctate (3) presumably forms multilayers. In the case of disulfanediyl-bis(ethane-2,1-diyl) bis[4-(p-nitrostyryl)benzoate] (2), we propose a structure with a fraction of the molecules bound to gold via the nitro group. The results show that the propensity of organosulfur compounds to self-assemble on gold not only is determined by the sulfur-containing group but also is affected by the complete molecule. PMID:18257591

  17. Farnesyl Diphosphate Analogues with Aryl Moieties are Efficient Alternate Substrates for Protein Farnesyltransferase

    PubMed Central

    Subramanian, Thangaiah; Pais, June E.; Liu, Suxia; Troutman, Jerry M.; Suzuki, Yuta; Subramanian, Karunai Leela; Fierke, Carol; Andres, Douglas A.; Spielmann, H. Peter

    2012-01-01

    Farnesylation is an important post-translational modification essential for proper localization and function of many proteins. Transfer of the farnesyl group from farnesyl diphosphate (FPP) to proteins is catalyzed by protein farnesyltransferase (FTase). We employed a library of FPP analogues with a range of aryl groups substituting for individual isoprene moieties to examine some of the structural and electronic properties of analogue transfer to peptide catalyzed by FTase. Analysis of steady-state kinetics for modification of peptide substrates revealed that the multiple turnover activity depends on the analogue structure. Analogues where the first isoprene is replaced by a benzyl group and an analogue where each isoprene is replaced by an aryl group are good substrates. In sharp contrast with the steady-state reaction, the single turnover rate constant for dansyl-GCVLS alkylation was found to be the same for all analogues, despite the increased chemical reactivity of the benzyl analogues and the increased steric bulk of other analogues. However, the single turnover rate constant for alkylation does depend on the Ca1a2X peptide sequence. These results suggest that the isoprenoid transition state conformation is preferred over the inactive E•FPP• Ca1a2X ternary complex conformation. Furthermore, these data suggest that the farnesyl binding site in the exit groove may be significantly more selective for the farnesyl diphosphate substrate than the active site binding pocket and therefore might be a useful site for design of novel inhibitors. PMID:22989235

  18. IgE reactivity to carbohydrate moieties of glycoproteins in wheat allergy

    PubMed Central

    Song, Tae Won; Hong, Jung Yeon; Lee, Kyung Eun; Kim, Mi Na; Kim, Yoon Hee; Lee, Soo-Young; Kim, Kyung Won

    2015-01-01

    Carbohydrate moieties of different glycoproteins, such as cross-reactive carbohydrate determinants (CCDs) and galactose α-1,3-galactose, can induce IgE reactivity with varied clinical significance. In this study, the possible participation of glycan from wheat gliadin, with respect to its IgE-binding capacity, was investigated in children with food allergies to wheat. Total IgE and wheat-specific IgE quantification, documentation of history, and/or oral food challenge (OFC) were performed for 52 children. Subjects with positive wheat-specific IgE were characterized as the symptomatic group, never-exposed group, or asymptomatic group. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and glycan detection in gliadin were performed. IgE binding to gliadin and deglycosylated gliadin was measured by immunoblotting and ELISA. Gliadin-specific IgE was detected and correlated with wheat-specific IgE in the symptomatic, never-exposed, and asymptomatic groups. The glycan range overlapped significantly with the gliadin range. Deglycosylation of gliadin reduced the allergenicity of gliadin. In gliadin, the allergenicity of the glycan portion was greater in the symptomatic group than in the never-exposed and asymptomatic groups. We conclude that N-glycan in gliadin might exhibit allergenicity as a possible carbohydrate epitope in wheat allergy in children. PMID:25976436

  19. Solvent-free Povarov reaction for synthesizing ferrocenyl quinolines: antioxidant abilities deriving from ferrocene moiety.

    PubMed

    Xi, Gao-Lei; Liu, Zai-Qun

    2014-10-30

    Twenty-two 2-phenyl-4-ferrocenylquinolines are synthesized by Povarov three-component-reaction (3CR) among the substituted anilines, benzaldehydes, and ferrocenylacetylene with Ce(OTf)3 being catalyst in the absence of solvents. The antioxidative effects of the obtained quinolines are estimated by quenching 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) cationic radical (ABTS(+·)), 2,2'-diphenyl-1-picrylhydrazyl (DPPH), and galvinoxyl radicals, and by inhibiting Cu(2+)/glutathione (GSH)-, hydroxyl radical (·OH)-, and 2,2'-azobis(2-amidinopropane hydrochloride) (AAPH)-induced oxidations of DNA. It is found that the ferrocenyl group instead of hydroxyl group generates the antioxidative effect for quinoline to quench radicals and to protect DNA against radical-induced oxidations. The antioxidative effect generated by ferrocenyl group can be further increased by the electron-donating moieties such as furan, -N(CH3)2, -OCH3, and ferrocenyl group, while the electron-withdrawing groups such as -NO2 and -Cl are not beneficial for quinolines to be antioxidants. The ferrocenyl group in quinoline exhibits higher antioxidant activity than hydroxyl group in Trolox. PMID:25238174

  20. Natural variability in acyl moieties of sugar esters produced by certain tobacco and other Solanaceae species.

    PubMed

    Kroumova, Antoaneta B M; Zaitlin, Dave; Wagner, George J

    2016-10-01

    A unique feature of glandular trichomes of plants in the botanical family Solanaceae is that they produce sugar esters (SE), chemicals that have been shown to possess insecticidal, antifungal, and antibacterial properties. Sugar esters of tobacco (Nicotiana tabacum) provide pest resistance, and are important flavor precursors in oriental tobacco cultivars. Acyl moieties of SEs in Nicotiana spp., petunia, and tomato are shown to vary with respect to carbon length and isomer structure (2-12 carbon chain length; anteiso-, iso-, and straight-chain). Sugar esters and their acyl groups could serve as a model to explore the basis of phenotypic diversity and adaptation to natural and agricultural environments. However, information on the diversity of acyl composition among species, cultivars, and accessions is lacking. Herein, described is the analysis of SE acyl groups found in 21 accessions of Nicotiana obtusifolia (desert tobacco), six of Nicotiana occidentalis subsp. hesperis, three of Nicotiana alata, two of N. occidentalis, four modern tobacco cultivars, five petunia hybrids, and one accession each of a primitive potato (Solanum berthaultii) and tomato (Solanum pennellii). A total of 20 different acyl groups was observed that were represented differently among cultivars, species, and accessions. In Nicotiana species, acetate and iso- and anteiso-branched acids prevailed. Straight-chain groups (2-8 carbons) were prominent in petunias, while octanoic acid was prominent in N. alata and N. × sanderae. Two unexpected acyl groups, 8-methyl nonanoate and decanoate were found in N. occidentalis subsp. hesperis. Longer chain groups were found in the petunia, tomato, and potato species studied. PMID:27262877

  1. Immunomodulatory potential of Rhein, an anthraquinone moiety of Cassia occidentalis seeds.

    PubMed

    Panigrahi, Gati Krushna; Yadav, Ashish; Mandal, Payal; Tripathi, Anurag; Das, Mukul

    2016-03-14

    Rhein, the most toxic anthraquinone moiety in Cassia occidentalis seeds, has been associated with hepatomyoencephalopathy (HME) in children. Structural and functional alterations in the lymphoid organs have been reported both in HME patients and experimental animals indicating a possibility of the dysfunction of immune system following exposure to CO seeds or its toxic anthraquinones (Panigrahi et al., 2014a). In the present study the mechanism of immune response of Rhein in splenocytes has been investigated by measuring functional assays of lymphocyte, cell surface receptor expression and analysis of cytokine levels. Results indicate that Rhein at a maximum dose of 10 μM is non cytotoxic up to 72 h in splenocytes. In addition to its potential to decrease the allogenic response of T-cells, Rhein significantly suppresses the proliferation of the concavalin A (Con A) and lipopolysaccharide (LPS) stimulated splenocytes. Lymphocyte receptor expression analysis revealed that Rhein exposure significantly down regulate the expression of CD3e, CD4, CD8, CD28, CD69 molecules in T-cells. The expression of CD19, CD28, CD40 in B-cells were also found to be significantly decreased following Rhein exposure. In accordance with the functional responses, Rhein treatment significantly lowered the expression of IL2 and IL6 cytokines in Con A stimulated splenocytes, and IL6, IL10, IFNγ and TNFα in LPS stimulated splenocytes. Over all, the study suggests the immunomodulatory activity of Rhein and that it would be useful in understanding the immune response of CO seeds in human subjects. PMID:26784856

  2. Reduction of CO2 using a Rhenium Bipyridine Complex Containing Ancillary BODIPY Moieties.

    PubMed

    Teesdale, Justin J; Pistner, Allen J; Yap, Glenn P A; Ma, Ying-Zhong; Lutterman, Daniel A; Rosenthal, Joel

    2014-04-15

    The reduction of carbon dioxide to chemical fuels such as carbon monoxide is an important challenge in the field of renewable energy conversion. Given the thermodynamic stability of carbon dioxide, it is difficult to efficiently activate this substrate in a selective fashion and the development of new electrocatalysts for CO2 reduction is of prime importance. To this end, we have prepared and studied a new fac-Re(I)(CO)3 complex supported by a bipyridine ligand containing ancillary BODIPY moieties ([Re(BB2)(CO)3Cl]). Voltammetry experiments revealed that this system displays a rich redox chemistry under N2, as [Re(BB2)(CO)3Cl] can be reduced by up to four electrons at modest potentials. These redox events have been characterized as the Re(I/0) couple, and three ligand based reductions - two of which are localized on the BODIPY units. The ability of the BB2 ligand to serve as a non-innocent redox reservoir is manifest in an enhanced electrocatalysis with CO2 as compared to an unsubstituted Re-bipyridine complex lacking BODIPY units ([Re(bpy)(CO)3Cl]). The second order rate constant for reduction of CO2 by [Re(BB2)(CO)3Cl] was measured to be k = 3400 M(-1)s(-1) at an applied potential of -2.0 V versus SCE, which is roughly three times greater than the corresponding unsubstituted Re-bipyridine homologue. Photophysical and photochemical studies were also carried out to determine if [Re(BB2)(CO)3Cl] was a competent platform for CO2 reduction using visible light. These experiments showed that this complex supports unusual excited state dynamics that precludes efficient CO2 reduction and are distinct from those that are typically observed for fac-Re(I)(CO)3 complexes. PMID:25395735

  3. Reduction of CO2 using a Rhenium Bipyridine Complex Containing Ancillary BODIPY Moieties

    PubMed Central

    Teesdale, Justin J.; Pistner, Allen J.; Yap, Glenn P.A.; Ma, Ying-Zhong; Lutterman, Daniel A.; Rosenthal, Joel

    2014-01-01

    The reduction of carbon dioxide to chemical fuels such as carbon monoxide is an important challenge in the field of renewable energy conversion. Given the thermodynamic stability of carbon dioxide, it is difficult to efficiently activate this substrate in a selective fashion and the development of new electrocatalysts for CO2 reduction is of prime importance. To this end, we have prepared and studied a new fac-ReI(CO)3 complex supported by a bipyridine ligand containing ancillary BODIPY moieties ([Re(BB2)(CO)3Cl]). Voltammetry experiments revealed that this system displays a rich redox chemistry under N2, as [Re(BB2)(CO)3Cl] can be reduced by up to four electrons at modest potentials. These redox events have been characterized as the ReI/0 couple, and three ligand based reductions – two of which are localized on the BODIPY units. The ability of the BB2 ligand to serve as a non-innocent redox reservoir is manifest in an enhanced electrocatalysis with CO2 as compared to an unsubstituted Re-bipyridine complex lacking BODIPY units ([Re(bpy)(CO)3Cl]). The second order rate constant for reduction of CO2 by [Re(BB2)(CO)3Cl] was measured to be k = 3400 M−1s−1 at an applied potential of −2.0 V versus SCE, which is roughly three times greater than the corresponding unsubstituted Re-bipyridine homologue. Photophysical and photochemical studies were also carried out to determine if [Re(BB2)(CO)3Cl] was a competent platform for CO2 reduction using visible light. These experiments showed that this complex supports unusual excited state dynamics that precludes efficient CO2 reduction and are distinct from those that are typically observed for fac-ReI(CO)3 complexes. PMID:25395735

  4. Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.

    PubMed

    Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice

    2015-07-28

    The nickel(ii) complexes of three unsymmetrical thiosemicarbazone-based ligands featuring a sterically hindered salicylidene (1), aminophenol (2) or thiophenol (3) moiety were synthesized and structurally characterized. The metal ion lies in an almost square planar geometry in all the complexes. The cyclic voltammetry (CV) curve of 1 shows an irreversible oxidation wave at E = 0.49 V, which is assigned to the phenoxyl/phenolate redox couple. The CV curves of 2 and 3 display a reversible one-electron oxidation wave (E1/2 = 0.26 and 0.22 V vs. Fc(+)/Fc, respectively) and an one-electron reduction wave (E1/2 = -1.55 and -1.46 V, respectively). The cations 2(+) and 3(+) as well as the anions 2(-) and 3(-) were generated. The EPR spectra of the cations in THF show a rhombic signal at g1 = 2.034, g2 = 2.010 and g3 = 1.992 (2(+)) and g1 = 2.069, g2 = 2.018, g3 = 1.986 (3(+)) that is consistent with a main radical character of the complexes. The difference in anisotropy is assigned to the different nature of the radical, iminosemiquinonate vs. iminothiosemiquinonate. The anions display an isotropic EPR signal at giso = 2.003 (2(+)) and 2.006 (3(+)), which is indicative of a main α-diimine radical character of the compounds. Both the anions and cations exhibit charge transfer transitions of low to moderate intensity in their visible spectrum. Quantum chemical calculations (B3LYP) reproduce both the g-values and Vis-NIR spectra of the complexes. The radical anions readily react with dioxygen to give the radical cations. 2(+) catalyzes the aerobic oxidation of benzyl alcohol into benzaldehyde. PMID:26086684

  5. Synthesis and herbicidal activity evaluation of novel α-amino phosphonate derivatives containing a uracil moiety.

    PubMed

    Che, Jian-yi; Xu, Xiao-yun; Tang, Zi-long; Gu, Yu-cheng; Shi, De-qing

    2016-02-15

    A series of novel α-amino phosphonate derivatives containing a uracil moiety 3a-3l were designed and synthesized by a Lewis acid (magnesium perchlorate) catalyzed the Kabachnik-Fields reaction. The bioassays {in vitro, in vivo [Glass House 1 (GH1) and Glass House 2 (GH2)]} showed that most of compounds 3 exhibited excellent and selective herbicidal activities; for example, in GH1 test, compounds 3b, 3d, 3f, 3h and 3j showed excellent and wide spectrum herbicidal activities at the dose of 1000 g/ha, and compounds 3b and 3j exhibited 100% inhibition activities against the four plants in both post- and pre-emergence treatments. Moreover, most of compounds 3 showed higher inhibition against Amaranthus retroflexus and Digitaria sanguinalis than Glyphosate did in pre-emergence treatment. In GH2 test, the four compounds (3b, 3d, 3h and 3j) exhibited 100% inhibition against Solanum nigrum, Amaranthus retroflexus and Ipomoea hederacea in post-emergence treatment and displayed 100% inhibition against Solanum nigrum, Amaranthus retroflexus in pre-emergence treatment at the rate of 250 g/ha, and compound 3b showed the best and broad spectrum herbicidal activities against the six test plants. However, the four compounds displayed weaker herbicidal activities against Lolium perenne and Echinochloa crus-galli than the other four plants at the rate of 250 g/ha in both pre- and post-emergence treatments. So, compounds 3 can be used as a lead compound for further structure optimization for developing potential selective herbicidal agent. Their preliminary structure-activity relationships were also investigated. PMID:26786699

  6. Analysis of the Binding Moiety Mediating the Interaction between Monocarboxylate Transporters and Carbonic Anhydrase II*

    PubMed Central

    Noor, Sina Ibne; Dietz, Steffen; Heidtmann, Hella; Boone, Christopher D.; McKenna, Robert; Deitmer, Joachim W.; Becker, Holger M.

    2015-01-01

    Proton-coupled monocarboxylate transporters (MCTs) mediate the exchange of high energy metabolites like lactate between different cells and tissues. We have reported previously that carbonic anhydrase II augments transport activity of MCT1 and MCT4 by a noncatalytic mechanism, while leaving transport activity of MCT2 unaltered. In the present study, we combined electrophysiological measurements in Xenopus oocytes and pulldown experiments to analyze the direct interaction between carbonic anhydrase II (CAII) and MCT1, MCT2, and MCT4, respectively. Transport activity of MCT2-WT, which lacks a putative CAII-binding site, is not augmented by CAII. However, introduction of a CAII-binding site into the C terminus of MCT2 resulted in CAII-mediated facilitation of MCT2 transport activity. Interestingly, introduction of three glutamic acid residues alone was not sufficient to establish a direct interaction between MCT2 and CAII, but the cluster had to be arranged in a fashion that allowed access to the binding moiety in CAII. We further demonstrate that functional interaction between MCT4 and CAII requires direct binding of the enzyme to the acidic cluster 431EEE in the C terminus of MCT4 in a similar fashion as previously shown for binding of CAII to the cluster 489EEE in the C terminus of MCT1. In CAII, binding to MCT1 and MCT4 is mediated by a histidine residue at position 64. Taken together, our results suggest that facilitation of MCT transport activity by CAII requires direct binding between histidine 64 in CAII and a cluster of glutamic acid residues in the C terminus of the transporter that has to be positioned in surroundings that allow access to CAII. PMID:25561737

  7. A New Class of Natural Glycopeptides with Sugar Moiety-dependent Antioxidant Activities derived from Ganoderma lucidum Fruiting Bodies

    PubMed Central

    Wu, Yalin; Wang, Denong

    2009-01-01

    A water-soluble glycopeptide (PGY), fractionated and purified from the aqueous extract of the fruiting bodies of Ganoderma lucidum via two-step dialysis, anion-exchange and gel permeation chromatography, was constituted of two moieties of carbohydrate and peptide. Carbohydrate characterization with component analysis, methylation analysis, periodate oxidation, Smith degradation, enzymic hydrolysis, and IR and NMR experiments demonstrated that the carbohydrate moiety possessed a backbone of approximately thirty-three (1 → 3)-linked β-D-glucopyranosyl residues, and side chains, at positions 6, of single α-L-arabinofuranosyl residues for every three Glcp residues in the main chain. On the basis of the results of amino acid composition and trypsin digestion, the peptide moiety shown to consist of Arg, Ser, Ala, and Gly in a ratio of 1:1:2:2, exhibited the sequence of Ser-Arg-[(Ala)2(Gly)2], and was O-attached to the carbohydrate moiety via Ser. To contribute toward our understanding of structure-activity relationship, a series of expected derivatives generated from PGY by trypsin digestion, debranching, and NaIO4-oxidation following reduction experiments, including PTC, DB-PGY, and PPP, were obtained. All of them, as well as PGY and reference compound (BHT), were evaluated with two conventional antioxidant testing systems of DPPH and superoxide radicals scavenging, and found to have their respective antioxidant activities in a concentration-dependent manner. Comparable radical scavenging activities observed between PTC and PGY demonstrated that the removal of Ala and Gly in peptide moiety did not result in the variation of biological functions of PGY. However, it was very interesting to note that the scavenging activity of PPP was higher for DPPH radicals with an SC50 value of 116.4 ± 5.1 μg/mL, and lower for superoxide radicals with an SC50 value of 205.2 ± 14.4 μg/mL than that of PGY with corresponding SC50 values of 133.5 ± 5.5 and 140.5 ± 7.7 μg/mL, and

  8. Iptycene synthesis: A new method for attaching a 2,3-anthracene moiety to the 9,10-positions of another anthracene moiety - Exceptional conditions for a Lewis acid catalyzed Diels-Alder reaction

    NASA Technical Reports Server (NTRS)

    Chen, Yong-Shing; Hart, Harold

    1989-01-01

    An efficient three-step method for appending a 2,3-anthracene moiety to the 9,10-positions of an existing anthracene moiety is described. The first step uses excess 1,4-anthraquinone (3 equiv) and aluminum chloride (6 equiv) to obtain the anthracene-quinone cycloadduct (omission of the AlCl3 resulted in no adduct). The resulting diketone was reduced to the corresponding diol (excess LiAlH4), which was dehydrated to the arene with phosphorus oxychloride and pyridine. Specific examples include the preparation of heptipycene 8 from pentiptycene 6 (66 percent overall yield) and a similar conversion of 8 to the noniptycene 13 (75 percent overall yield). The methodology led to a markedly improved synthesis of tritriptycene 9 and the first synthesis of undecaiptycene 14.

  9. Coumarin-Spiropyran Dyad with a Hydrogenated Pyran Moiety for Rapid, Selective, and Sensitive Fluorometric Detection of Cyanide Anion.

    PubMed

    Shiraishi, Yasuhiro; Nakamura, Masaya; Hayashi, Naoto; Hirai, Takayuki

    2016-07-01

    We synthesized a coumarin-spiropyran dyad with a hydrogenated pyran moiety (2), behaving as an off-on type fluorescent receptor for rapid, selective, and sensitive detection of cyanide anion (CN(-)) in aqueous media. The receptor itself shows almost no fluorescence with a quantum yield < 0.01, due to the delocalization of π-electrons over the molecule. Selective nucleophilic addition of CN(-) to the spirocarbon of the molecule rapidly promotes spirocycle opening within only 3 min. This leads to localization of π-electrons on the coumarin moiety and exhibits strong light-blue fluorescence at 459 nm with very high quantum yield (0.52). As a result of this, the receptor facilitates rapid, selective, and sensitive fluorometric detection of CN(-) as low as 1.0 μM. PMID:27268123

  10. Mechanochromism and Mechanical-Force-Triggered Cross-Linking from a Single Reactive Moiety Incorporated into Polymer Chains.

    PubMed

    Zhang, Huan; Gao, Fei; Cao, Xiaodong; Li, Yanqun; Xu, Yuanze; Weng, Wengui; Boulatov, Roman

    2016-02-01

    Incorporation of small reactive moieties, the reactivity of which depends on externally imposed load (so-called mechanophores) into polymer chains offers access to a broad range of stress-responsive materials. Here, we report that polymers incorporating spirothiopyran (STP) manifest both green mechanochromism and load-induced addition reactions in solution and solid. Stretching a macromolecule containing colorless STP converts it into green thiomerocyanine (TMC), the mechanically activated thiolate moiety of which undergoes rapid thiol-ene click reactions with certain reactive C=C bonds to form a graft or a cross-link. The unique dual mechanochemical response of STP makes it of potentially great utility both for the design of new stress-responsive materials and for fundamental studies in polymer physics, for example, the dynamics of physical and mechanochemical remodeling of loaded materials. PMID:26805709

  11. Synthesis and biological evaluation of novel fluconazole analogues bearing 1,3,4-oxadiazole moiety as potent antifungal agents.

    PubMed

    Liao, Jun; Yang, Fan; Zhang, Lei; Chai, Xiaoyun; Zhao, Qingjie; Yu, Shichong; Zou, Yan; Meng, Qingguo; Wu, Qiuye

    2015-04-01

    A novel series of fluconazole based mimics incorporating 1,3,4-oxadiazole moiety were designed and synthesized. All the title compounds were characterized by (1)H-NMR, (13)C-NMR, and Q-TOF-MS. Preliminary results revealed that most of analogues exhibited significant antifungal activity against seven pathogenic fungi. Compounds 9g and 9k (MIC80 ≤ 0.125 μg/mL, respectively) were found more potent than the positive controls itraconazole and fluconazole as broad-spectrum antifungal agents. The observed docking results showed that the 1,3,4-oxadiazole moiety enhanced the affinity binding to the cytochrome P450 14α-demethylase (CYP51). PMID:24838380

  12. Novel mechanism of bioluminescence: oxidative decarboxylation of a moiety adjacent to the light emitter of Fridericia luciferin.

    PubMed

    Dubinnyi, Maxim A; Kaskova, Zinaida M; Rodionova, Natalja S; Baranov, Mikhail S; Gorokhovatsky, Andrey Yu; Kotlobay, Alexey; Solntsev, Kyril M; Tsarkova, Aleksandra S; Petushkov, Valentin N; Yampolsky, Ilia V

    2015-06-01

    A novel luciferin from a bioluminescent Siberian earthworm Fridericia heliota was recently described. In this study, the Fridericia oxyluciferin was isolated and its structure elucidated. The results provide insight into a novel bioluminescence mechanism in nature. Oxidative decarboxylation of a lysine fragment of the luciferin supplies energy for light generation, while a fluorescent CompX moiety remains intact and serves as the light emitter. PMID:25913753

  13. Polycycloiridals A-D, Four Iridal-Type Triterpenoids with an α-Terpineol Moiety from Iris tectorum.

    PubMed

    Zhang, Chun-Lei; Liu, Yan-Fei; Wang, Yan; Liang, Dong; Jiang, Zhi-Bo; Li, Li; Hao, Zhi-You; Luo, Huan; Shi, Guo-Ru; Chen, Ruo-Yun; Cao, Zheng-Yu; Yu, De-Quan

    2015-11-20

    Polycycloiridals A-D, four novel iridals with an unprecedented α-terpineol moiety resulting from cyclization of the homofarnesylside chain, were isolated from the ethanol extract of rhizomes of Iris tectorum. Their structures were elucidated on the basis of comprehensive spectroscopic analysis. The absolute configuration of 1 was determined by the modified Mosher's method and comparison of experimental and calculated electronic circular dichroism (ECD) spectrum. A possible biosynthetic pathway was postulated. PMID:26555865

  14. Reaction mechanisms in aromatic hydrocarbon formation involving the C{sub 5}H{sub 5} cyclopentadienyl moiety

    SciTech Connect

    Melius, C.F.; Colvin, M.E.; Marinov, N.M.; Pitz, W.J.; Senkan, S.M.

    1996-02-01

    The quantum chemical BAC-MP4 and BAC-MP2 methods have been used to investigate the reaction mechanisms leading to polycyclic aromatic hydrocarbon (PAH) ring formation. In particular the authors have determined the elementary reaction steps in the conversion of two cyclopentadienyl radicals to naphthalene. This reaction mechanism is shown to be an extension of the mechanism occurring in the H atom-assisted conversion of fulvene to benzene. The net reaction involves the formation of dihydrofulvalene, which eliminates a hydrogen atom and then rearranges to form naphthalene through a series of ring closures and openings. The importance of forming the {single_bond}CR({center_dot}){single_bond}CHR{single_bond}CR{prime}{double_bond}CR{double_prime}-moiety, which can undergo rearrangement to form three-carbon-atom ring structures, is illustrated with the C{sub 4}H{sub 7} system. The ability of hydrogen atoms to migrate around the cyclopentadienyl moiety is illustrated both for methyl-cyclopentadiene, C{sub 5}H{sub 5}CH{sub 3}, and dihydrofulvalene, C{sub 5}H{sub 5}C{sub 5}H{sub 5}, as well as for their radical species, C{sub 6}H{sub 7} and C{sub 5}H{sub 5}C{sub 5}H{sub 4}. The mobility of hydrogen in the cyclopentadienyl moiety plays an important role both in providing resonance-stabilized radical products and in creating the {single_bond}CR({center_dot}){single_bond}CHR{single_bond}CR{prime}{double_bond}CR{double_prime}-moiety for ring formation. The results illustrate the radical pathway for converting five-membered rings to aromatic six-membered rings. Furthermore, the results indicate the important catalytic role of H atoms in the aromatic ring formation process.

  15. Reactions of nitroxides 15. Cinnamates bearing a nitroxyl moiety synthesized using a Mizoroki–Heck cross-coupling reaction

    PubMed Central

    Huras, Bogumiła

    2015-01-01

    Summary Cinnamic acid derivatives bearing a nitroxyl moiety (2,2,6,6-tetramethyl-1-oxyl-4-piperidyl 3-E-aryl acrylates) were synthesized in 30–100% yield using a Mizoroki–Heck cross-coupling reaction between 4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl and iodobenzene derivatives in the presence of palladium(II) acetate coordinated with a tri(o-tolyl)phosphine ligand immobilized in a polyurea matrix. PMID:26199672

  16. Reactions of nitroxides 15. Cinnamates bearing a nitroxyl moiety synthesized using a Mizoroki-Heck cross-coupling reaction.

    PubMed

    Zakrzewski, Jerzy; Huras, Bogumiła

    2015-01-01

    Cinnamic acid derivatives bearing a nitroxyl moiety (2,2,6,6-tetramethyl-1-oxyl-4-piperidyl 3-E-aryl acrylates) were synthesized in 30-100% yield using a Mizoroki-Heck cross-coupling reaction between 4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl and iodobenzene derivatives in the presence of palladium(II) acetate coordinated with a tri(o-tolyl)phosphine ligand immobilized in a polyurea matrix. PMID:26199672

  17. Amino(oxo)acetate moiety: A new functional group to improve the cytotoxicity of betulin derived carbamates.

    PubMed

    Heller, Lucie; Perl, Vincent; Wiemann, Jana; Al-Harrasi, Ahmed; Csuk, René

    2016-06-15

    While 3-O-acetylated betulin derivatives carrying a carbamate moiety at position C-28 are of rather low cytotoxicity for human tumor cell lines, the corresponding C-3 amino(oxo) acetates show good cytotoxicity. For example, an EC50 as low as 2.0μM was found for (3β) 28-{[(hexylamino)carbonyl]oxy}lup-20(29)-en-3-yl amino(oxo)acetate (16) employing the ovarian cancer cell line A2780. PMID:27142753

  18. Enhancement of the water solubility of flavone glycosides by disruption of molecular planarity of the aglycone moiety.

    PubMed

    Lewin, Guy; Maciuk, Alexandre; Moncomble, Aurélien; Cornard, Jean-Paul

    2013-01-25

    Enhancement of the water solubility by disruption of molecular planarity has recently been reviewed as a feasible approach in small-molecule drug discovery programs. We applied this strategy to some natural flavone glycosides, especially diosmin, a highly insoluble citroflavonoid prescribed as an oral phlebotropic drug. Disruption of planarity at the aglycone moiety by 3-bromination or chlorination afforded 3-bromo- and 3-chlorodiosmin, displaying a dramatic solubility increase compared with the parent compound. PMID:23249276

  19. Glycosidic moiety changes the spectroscopic properties of DL-α-tocopherol in DMSO/water solution and in organic solvents

    NASA Astrophysics Data System (ADS)

    Neunert, G.; Polewski, P.; Walejko, P.; Markiewicz, M.; Witkowski, S.; Polewski, K.

    2009-07-01

    In this study we estimated how conjugation with a sugar moiety influences the spectral properties of tocopherol and relate the spectroscopic properties of glycosides to solvent properties such as viscosity and polarity. Spectroscopic properties (absorption, fluorescence, fluorescence anisotropy and fluorescence lifetime) of three DL-α-tocopheryl glycosides (DL-α-tocopheryl orthoacetate derivative and glycosides of DL-α-tocopherol model compounds: 2,2,5,7,8-pentamethyl-6-chromanol and Trolox) were studied in DMSO/water solution. In all investigated compounds dissolved in DMSO/water mixture the absorption and emission maxima were blue-shifted. The fluorescence lifetimes were longer compared with those obtained for the parent compounds, except for the Trolox glucoside, in which it was shorter. The observed effect is connected with an increase in the electronic energy in the ground state due to electron rearrangement in the chromanol system caused by interaction with the sugar moiety. The extent of the spectral shift is related to the sugar moiety substituted at the phenolic oxygen rather than to substitution at the 2a position in the chromanol ring. The fluorescent properties of DL-α-tocopheryl glucoside in organic solvents were measured. The Stokes shift was related to the orientational polarizability of the solvents. The study of viscosity suggested two different mechanisms explaining the results observed in a low- and high-viscosity environment. The results indicated the fundamental role of interactions between the chromophore and sugar moiety in a low-viscosity environment. The results obtained at high values of viscosity are discussed in terms of a frictional boundary solvent-solute interaction model.

  20. Virtual screening of 2,3-disubstituted-4(3H)-quinazolinones possessing benzenesulfonamide moiety for COX-2 inhibitor.

    PubMed

    Hayun; Yanuar, Arry; Hanafi, Muhammad; Pws, Sumi Hudiyono

    2011-01-01

    COX inhibitors which selectively inhibits the inducible COX-2 is an oenzyme that causes inflammation. They are clinically effective anti-inflammatory agents with less gastrointestinal and renal toxicity. However, they lack anti-thrombotic activity and hence lead to increased incidences of adverse cardiovascular trombotic events such as myocardial infarction. Therefore, there is still a need to develop better therapeutic effect and tolerability COX-2 inhibitor. The majority of COX-2 inhibitors are diaryl heterocycles. For optimum COX-2 selectivity and inhibitory potency a -SO(3)CH(3) or a- SO(2)NH(2) substituent at the para-position of phenyl ring was essential. A wide variety of heterocycles can serve as central ring system of the diaryl heterocycles structures. We report the screening of various 2,3-disubstituted-4(3H)-quinazolinones possessing benzenesulfonamide moiety, directly or indirectly bound to the ring system, using the Protein-Ligand ANT System (PLANTS) docking software against the COX-2 enzyme. Various molecular structures of ligands were docked and scored to identify structurally similar ligands to SC-558 (reference ligand) in binding interaction to COX-2 binding site. The results show that 2,3-disubstituted-4(3H)-quinazolinones possess pbenzenesulfonamide moiety at C-2, and phenyl moiety at N-3 binds directly or indirectly to the ring system with high binding affinity. The docked ligand has orientations similar to that observed with SC-558 satisfying Lipinski's rule of five. PMID:22125393

  1. Virtual screening of 2,3-disubstituted-4(3H)-quinazolinones possessing benzenesulfonamide moiety for COX-2 inhibitor

    PubMed Central

    Hayun; Yanuar, Arry; Hanafi, Muhammad; PWS, Sumi Hudiyono

    2011-01-01

    COX inhibitors which selectively inhibits the inducible COX-2 is an oenzyme that causes inflammation. They are clinically effective anti-inflammatory agents with less gastrointestinal and renal toxicity. However, they lack anti-thrombotic activity and hence lead to increased incidences of adverse cardiovascular trombotic events such as myocardial infarction. Therefore, there is still a need to develop better therapeutic effect and tolerability COX-2 inhibitor. The majority of COX-2 inhibitors are diaryl heterocycles. For optimum COX-2 selectivity and inhibitory potency a –SO3CH3 or a- SO2NH2 substituent at the para-position of phenyl ring was essential. A wide variety of heterocycles can serve as central ring system of the diaryl heterocycles structures. We report the screening of various 2,3-disubstituted-4(3H)-quinazolinones possessing benzenesulfonamide moiety, directly or indirectly bound to the ring system, using the Protein-Ligand ANT System (PLANTS) docking software against the COX-2 enzyme. Various molecular structures of ligands were docked and scored to identify structurally similar ligands to SC-558 (reference ligand) in binding interaction to COX-2 binding site. The results show that 2,3-disubstituted-4(3H)-quinazolinones possess pbenzenesulfonamide moiety at C-2, and phenyl moiety at N-3 binds directly or indirectly to the ring system with high binding affinity. The docked ligand has orientations similar to that observed with SC-558 satisfying Lipinski's rule of five. PMID:22125393

  2. An Unprecedented Two-Fold Nested Super-Polyrotaxane: Sulfate-Directed Hierarchical Polythreading Assembly of Uranyl Polyrotaxane Moieties.

    PubMed

    Mei, Lei; Wu, Qun-Yan; Yuan, Li-Yong; Wang, Lin; An, Shu-Wen; Xie, Zhen-Ni; Hu, Kong-Qiu; Chai, Zhi-Fang; Burns, Peter C; Shi, Wei-Qun

    2016-08-01

    The hierarchical assembly of well-organized submoieties could lead to more complicated superstructures with intriguing properties. We describe herein an unprecedented polyrotaxane polythreading framework containing a two-fold nested super-polyrotaxane substructure, which was synthesized through a uranyl-directed hierarchical polythreading assembly of one-dimensional polyrotaxane chains and two-dimensional polyrotaxane networks. This special assembly mode actually affords a new way of supramolecular chemistry instead of covalently linked bulky stoppers to construct stable interlocked rotaxane moieties. An investigation of the synthesis condition shows that sulfate can assume a vital role in mediating the formation of different uranyl species, especially the unique trinuclear uranyl moiety [(UO2 )3 O(OH)2 ](2+) , involving a notable bent [O=U=O] bond with a bond angle of 172.0(9)°. Detailed analysis of the coordination features, the thermal stability as well as a fluorescence, and electrochemical characterization demonstrate that the uniqueness of this super-polyrotaxane structure is mainly closely related to the trinuclear uranyl moiety, which is confirmed by quantum chemical calculations. PMID:27389048

  3. Quantification of Phenolic Antioxidant Moieties in Dissolved Organic Matter by Flow-Injection Analysis with Electrochemical Detection.

    PubMed

    Walpen, Nicolas; Schroth, Martin H; Sander, Michael

    2016-06-21

    Phenolic moieties in dissolved organic matter (DOM) play important roles as antioxidants in oxidation processes in natural and engineered systems. This work presents an automated and highly sensitive flow injection analysis (FIA) system coupled to both spectrophotometric and electrochemical detection to quantify electron-donating phenolic moieties in DOM by determining the number of electrons that these moieties transfer to an added chemical oxidant, the radical cation of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS(•+)). The FIA system was successfully validated using Trolox as a redox standard. Highest method sensitivity was attained when combining the FIA with chronoamperometric detection, resulting in limits of quantification of picomolar amounts of Trolox and nanogram amounts of DOM (corresponding to solutions with <1 mg carbon per liter). The analysis of DOM isolates showed a strong linear correlation between the number of electrons donated and their titrated phenol contents, supporting oxidation of phenols by ABTS(•+). The broad application spectrum of the FIA system to dilute natural DOM samples was illustrated by analyzing water samples collected from northern peatlands and by monitoring the oxidation of phenols in one peat sample upon incubation with a phenol oxidase. The superior analytical capability of the FIA system allows quantifying phenols and monitoring phenol dynamics in dilute DOM samples. PMID:27227422

  4. Replacing the acetyl linkage in aspirin with choline and magnesium moieties reduces the occurrence of gastric mucosal injury.

    PubMed

    Danesh, B J; Nelson, L M; Russell, R I; Docherty, C

    1987-02-01

    The acetyl moiety in aspirin (acetyl salicylic acid: ASA) is considered to play a major part in the pathogenesis of ASA-induced mucosal injury. At equivalent salicylate doses and pH values, the induction of acute gastric mucosal haemorrhagic erosions in rats by ASA and choline magnesium trisalicylate (CMT), a new non-acetylated salicylate, with and without the potentiating damaging effect of taurodeoxycholic acid (TDCA) were compared. Test solutions were administered by per oral intubation to five groups of fasting Sprague-Dawley rats (n = 24). Gastric mucosa were examined after 4 hours and mucosal injury assessed by a lesion-scoring system. The incidence and severity (median lesion scores with quartiles) of the lesions were 83% and 13 (7:20) respectively for ASA (128 mg kg-1) compared with 17% and 0 (0:0) for CMT (128 mg kg-1) (P less than 0.001 and P less than 0.001). TDCA increased mucosal damage to 100% and 29 (20:34) for ASA compared with 30% and 0 (0:4) for CMT (P less than 0.001) and P less than 0.001). Serum salicylate levels (median values of 1.4 for ASA and 1.5 mmol litre-1 for CMT) were not significantly different. It is concluded that replacing the acetyl moiety in ASA with choline and magnesium moieties reduces the ASA-induced mucosal injury, without affecting blood salicylate concentrations. PMID:2979212

  5. Synthesis and carbonic anhydrase I, II, IX and XII inhibitory activity of sulfamates incorporating piperazinyl-ureido moieties.

    PubMed

    Congiu, Cenzo; Onnis, Valentina; Deplano, Alessandro; Balboni, Gianfranco; Ceruso, Mariangela; Supuran, Claudiu T

    2015-09-01

    A series of sulfamates were synthesized using as lead compound SLC-0111, a sulfonamide carbonic anhydrase (CA, EC 4.2.1.1) inhibitor in Phase I clinical trials. The new derivatives incorporated ureido moieties as spacers between the benzene sulfamate fragment which binds the zinc ion from the active site, and the tail of the inhibitor, but the urea moieties were part of a substituted piperazine ring system. The derivatives (and some of their phenol precursors) were tested for the inhibition of the cytosolic, hCA I and II (off target isoforms) and the trans-membrane, tumor-associated hCA IX and XII enzymes (anticancer drug targets). Generally hCA I was not effectively inhibited, whereas many low nanomolar inhibitors were evidenced against hCA II (KIs in the range of 1.0-94.4 nM), IX (KIs in the range of 0.91-36.9 nM), and XII (KIs in the range of 1.0-84.5 nM). The best substitution fragments at the piperazine ring included the following moieties: 3-methylphenyl, 2,3-dimethylphenyl, 4-methoxyphenyl, 6-arylpyrimidine-2-yl. PMID:26233796

  6. Synthesis and biological evaluation of benzothiazole derivatives bearing the ortho-hydroxy-N-acylhydrazone moiety as potent antitumor agents.

    PubMed

    Ma, Junjie; Zhang, Guangyan; Han, Xiaoqi; Bao, Guanglong; Wang, Lihui; Zhai, Xin; Gong, Ping

    2014-12-01

    A novel series of benzothiazole derivatives bearing the ortho-hydroxy-N-acylhydrazone moiety were designed, synthesized, and evaluated for their procaspase-3 kinase activation activities and antiproliferative activities against five cancer cell lines (NCI-H226, SK-N-SH, HT29, MKN-45, and MDA-MB-231). Most target compounds showed moderate to excellent cytotoxic activity against all five tested cancer lines. The most promising compound 18e (procaspase-3 EC50  = 0.31 µM) with IC50 values ranging from 0.24 to 0.92µM against all tested cell lines was 4.24-12.2 times more active than PAC-1 (procaspase-3 EC50  = 0.41 µM). Structure-activity relationship studies indicated that the phenyl group on the 2-hydroxyphenyl ring (moiety A) was critical for pharmacological activity in vitro. In addition, introduction of a benzyloxyl group on moiety A and a mono-electron-withdrawing group at the 4-position of the benzyloxyl group were more favorable for antitumor activity. Moreover, reduction of the electron density in the phenyl ring of the benzyloxy group led to a dramatic decrease in the procaspase-3 kinase activation activity. PMID:25230149

  7. Photo-induced in situ crosslinking of polymer brushes with dimethyl maleimide moieties for dynamically stimulating stem cell differentiation.

    PubMed

    Arisaka, Yoshinori; Nishijima, Yuka; Yusa, Shin-Ichi; Takeda, Naoya

    2016-09-01

    We designed photo-crosslinkable polymer brushes with dimethylmaleimide moieties, in order to demonstrate dynamic stimulation of cell differentiation in mesenchymal stem cells (MSCs). The polymer brushes were synthesized by surface-initiated reversible addition fragmentation chain transfer polymerization using dimethylmaleimide ethyl methacrylate and methyl methacrylate on a chain transfer agent-immobilized glass surface. The polymer brushes were crosslinked by photodimerization of the dimethylmaleimide moieties within polymer chains with stem cells present on the surface. In order to evaluate the effects of in situ photo-induced crosslinking of the polymer brushes on gene expression of stem cells, human bone marrow MSCs were cultured under static and dynamic culture conditions for 7 days. Expression of the osteocalcin (Ocn) gene in MSCs was used as an indicator of osteoblast differentiation under dynamic culture conditions. Structural conversion from non-crosslinked polymer brushes to crosslinked polymer brushes increased the expression of Ocn by 1.4-fold in the presence of adhered cells, compared with non-crosslinked polymer brushes under static culture conditions. These results suggest that MSCs recognized surface conversion from non-crosslinked to crosslinked structures, which resulted in altered differentiation lineages. Therefore, photo-crosslinkable surfaces with dimethyl maleimide moieties are potential novel materials for dynamically stimulating MSC differentiation. PMID:27255343

  8. The monounsaturated acyl- and alkyl- moieties of wax esters and their distribution in commercial orange roughy (Hoplostethus atlanticus) oil.

    PubMed

    Body, D R; Johnson, C B; Shaw, G J

    1985-10-01

    Wax esters were isolated from commercial orange roughy (Hoplostethus atlanticus) oil by column chromatography and fractionated by argentation thin layer chromatography. Following transesterification, the resultant fatty acid methyl esters and fatty alcohols were analyzed by gas chromatography. Both acyl- and alkyl-moieties were mainly of the monoene structure within the 16:1-22:1 range. After derivatization, the positions of the double bonds of even numbered fatty acid and fatty alcohol isomers were located by chromatography-mass spectrometry and compared. Results of these positional analyses indicate that the primary desaturation reactions takes place in the delta 9 position of pre-existing (C14 to C24) acyl chains. It is proposed that acyl components from 18:1 are subjected to chain elongation to form a mixture of 24:1 isomers as the final product. Apart from the 24:1 acyl moiety of the wax esters, in which the double bond was almost exclusively in the delta 15 position, de novo biosynthetic reactions on acids and alcohols appear to yield related acyl- and alkyl-moieties of resynthesized wax esters. PMID:4058265

  9. Synthesis and properties of anion conductive ionomers containing tetraphenyl methane moieties.

    PubMed

    Li, Xiuhua; Yu, Yingfeng; Liu, Qunfang; Meng, Yuezhong

    2012-07-25

    A series of anion conductive aromatic ionomers, poly(arylene ether)s containing various polymer backbones and quaternary ammonium basic group functioned tetraphenyl methane moieties, were synthesized via nucleophilic substitution polycondensation, chloromethylation, quaternization, and the subsequent alkalization reactions. The structures of poly(arylene ether)s (PAEs), chloromethylated poly(arylene ether)s (CMPAEs), and quaternizated poly(arylene ether)s (QPAEs) ionomers were confirmed by (1)H NMR technique. Their thermal stabilities were evaluated by thermo gravimetric analysis (TGA). The water uptakes, ion exchange capacities (IEC), hydroxide ion conductivities, mechanical properties, and chemical stabilities of the membranes derived from the synthesized ionomers were assessed as anion exchange membranes. The QPAEs membranes were tough and thermally stable up to 170 °C. The IEC of the ionomers varied from 0.21 to 2.38 meq g(-1) which can be controlled by chloromethylation reaction conditions. The ion conductivities of QPAEs membranes increase dramatically with increasing temperature. The hydroxide ion transport activation energy, Ea, of the QPAEs membranes varied from 13.18 to 42.30 kJ mol(-1). The QPAE-d membrane with lower IEC value of 1.04 meq g(-1), derived from copolymer CMPAE-d bearing sulfone/ketone structure, displayed the highest hydroxide ion conductivity of 75 mS cm(-1) at 80 °C and showed strong tensile strength (29.2 MPa) at 25 °C. The QPAE-e membrane with IEC value of 1.09 meq g(-1), derived from copolymer CMPAE-e bearing sulfone/ketone-ketone structure, demonstrated 68 mS cm(-1) at 80 °C. The QPAE-d membrane kept 90% of mechanical properties and 82% of hydroxide ion conductivity after being conditioned with 1 M NaOH at 60 °C for 170 h. These properties of the ionomers membranes show their potential as an anion exchange membrane of alkaline fuel cells. PMID:22708839

  10. Muscle-Type Nicotinic Receptor Blockade by Diethylamine, the Hydrophilic Moiety of Lidocaine

    PubMed Central

    Alberola-Die, Armando; Fernández-Ballester, Gregorio; González-Ros, José M.; Ivorra, Isabel; Morales, Andrés

    2016-01-01

    Lidocaine bears in its structure both an aromatic ring and a terminal amine, which can be protonated at physiological pH, linked by an amide group. Since lidocaine causes multiple inhibitory actions on nicotinic acetylcholine receptors (nAChRs), this work was aimed to determine the inhibitory effects of diethylamine (DEA), a small molecule resembling the hydrophilic moiety of lidocaine, on Torpedo marmorata nAChRs microtransplanted to Xenopus oocytes. Similarly to lidocaine, DEA reversibly blocked acetylcholine-elicited currents (IACh) in a dose-dependent manner (IC50 close to 70 μM), but unlike lidocaine, DEA did not affect IACh desensitization. IACh inhibition by DEA was more pronounced at negative potentials, suggesting an open-channel blockade of nAChRs, although roughly 30% inhibition persisted at positive potentials, indicating additional binding sites outside the pore. DEA block of nAChRs in the resting state (closed channel) was confirmed by the enhanced IACh inhibition when pre-applying DEA before its co-application with ACh, as compared with solely DEA and ACh co-application. Virtual docking assays provide a plausible explanation to the experimental observations in terms of the involvement of different sets of drug binding sites. So, at the nAChR transmembrane (TM) domain, DEA and lidocaine shared binding sites within the channel pore, giving support to their open-channel blockade; besides, lidocaine, but not DEA, interacted with residues at cavities among the M1, M2, M3, and M4 segments of each subunit and also at intersubunit crevices. At the extracellular (EC) domain, DEA and lidocaine binding sites were broadly distributed, which aids to explain the closed channel blockade observed. Interestingly, some DEA clusters were located at the α-γ interphase of the EC domain, in a cavity near the orthosteric binding site pocket; by contrast, lidocaine contacted with all α-subunit loops conforming the ACh binding site, both in α-γ and α-δ and

  11. A molecular hybrid polyoxometalate-organometallic moieties and its relevance to supercapacitors in physiological electrolytes

    NASA Astrophysics Data System (ADS)

    Chinnathambi, Selvaraj; Ammam, Malika

    2015-06-01

    Supercapacitors operating in physiological electrolytes are of great relevance for both their environmentally friendly aspect as well as the possibility to be employed for powering implantable microelectronic devices using directly biological fluids as electrolytes. Polyoxometalate (POMs) have been proven to be useful for supercapacitors in acidic media. However, in neutral pH, POMs are usually not stable. One relevant alternative is to stabilize POMs by pairing them with organic moieties to form hybrids. In this study, we combined K6P2Mo18O62·12H2O (P2Mo18) with Ru(bpy)3Cl2.6H2O (Ru(bpy)). The synthesis was carried out with and without the mild reducing agent KI. The hybrids were characterized by CHN analysis, TEM, FT-IR, XRD, TGA and cyclic voltammetry. CHN elemental analysis revealed that one mole [P2Mo18O62]6- is paired with 3 mol [Ru(bpy)3]2+ to form [Ru(bpy)3]3PMo18O62·nH2O. With KI present, [P2Mo18O62]6- is linked to 3.33 mol to yield [Ru(bpy)3]3.33PMo18O62·mH2O. Excess of Ru(bpy) in [Ru(bpy)3]3.33PMo18O62·mH2O was further confirmed by TEM, FT-IR, XRD, TGA and cyclic voltammetry. In turn, hybrid composition is found to strongly influence the supercapacitor behavior. The hybrid rich in Ru(bpy) is found to perform better for supercapacitors in physiological electrolytes. 125 F g-1 and 68 F g-1 are the capacitance values obtained with [Ru(bpy)3]3.33PMo18O62·mH2O and [Ru(bpy)3]3PMo18O62·nH2O, respectively. In terms of specific energy densities, 3.5 Wh kg-1 and 2 Wh kg-1 were obtained for both hybrid simultaneously. The difference in supercapacitor performance between both hybrids is also noticed in impedance spectroscopy which showed that [Ru(bpy)3]3.33PMo18O62·mH2O has lower electron transfer resistance if compared to [Ru(bpy)3]3PMo18O62·nH2O. Finally, if compared of parent K6P2Mo18O62·12H2O, the stability of both hybrids is found to be highly improved.

  12. Muscle-Type Nicotinic Receptor Blockade by Diethylamine, the Hydrophilic Moiety of Lidocaine.

    PubMed

    Alberola-Die, Armando; Fernández-Ballester, Gregorio; González-Ros, José M; Ivorra, Isabel; Morales, Andrés

    2016-01-01

    Lidocaine bears in its structure both an aromatic ring and a terminal amine, which can be protonated at physiological pH, linked by an amide group. Since lidocaine causes multiple inhibitory actions on nicotinic acetylcholine receptors (nAChRs), this work was aimed to determine the inhibitory effects of diethylamine (DEA), a small molecule resembling the hydrophilic moiety of lidocaine, on Torpedo marmorata nAChRs microtransplanted to Xenopus oocytes. Similarly to lidocaine, DEA reversibly blocked acetylcholine-elicited currents (I ACh ) in a dose-dependent manner (IC 50 close to 70 μM), but unlike lidocaine, DEA did not affect I ACh desensitization. I ACh inhibition by DEA was more pronounced at negative potentials, suggesting an open-channel blockade of nAChRs, although roughly 30% inhibition persisted at positive potentials, indicating additional binding sites outside the pore. DEA block of nAChRs in the resting state (closed channel) was confirmed by the enhanced I ACh inhibition when pre-applying DEA before its co-application with ACh, as compared with solely DEA and ACh co-application. Virtual docking assays provide a plausible explanation to the experimental observations in terms of the involvement of different sets of drug binding sites. So, at the nAChR transmembrane (TM) domain, DEA and lidocaine shared binding sites within the channel pore, giving support to their open-channel blockade; besides, lidocaine, but not DEA, interacted with residues at cavities among the M1, M2, M3, and M4 segments of each subunit and also at intersubunit crevices. At the extracellular (EC) domain, DEA and lidocaine binding sites were broadly distributed, which aids to explain the closed channel blockade observed. Interestingly, some DEA clusters were located at the α-γ interphase of the EC domain, in a cavity near the orthosteric binding site pocket; by contrast, lidocaine contacted with all α-subunit loops conforming the ACh binding site, both in α-γ and α-δ and

  13. Characterisation of the Native Lipid Moiety of Echinococcus granulosus Antigen B

    PubMed Central

    Obal, Gonzalo; Ramos, Ana Lía; Silva, Valeria; Lima, Analía; Batthyany, Carlos; Bessio, María Inés; Ferreira, Fernando; Salinas, Gustavo; Ferreira, Ana María

    2012-01-01

    Antigen B (EgAgB) is the most abundant and immunogenic antigen produced by the larval stage (metacestode) of Echinococcus granulosus. It is a lipoprotein, the structure and function of which have not been completely elucidated. EgAgB apolipoprotein components have been well characterised; they share homology with a group of hydrophobic ligand binding proteins (HLBPs) present exclusively in cestode organisms, and consist of different isoforms of 8-kDa proteins encoded by a polymorphic multigene family comprising five subfamilies (EgAgB1 to EgAgB5). In vitro studies have shown that EgAgB apolipoproteins are capable of binding fatty acids. However, the identity of the native lipid components of EgAgB remains unknown. The present work was aimed at characterising the lipid ligands bound to EgAgB in vivo. EgAgB was purified to homogeneity from hydatid cyst fluid and its lipid fraction was extracted using chloroform∶methanol mixtures. This fraction constituted approximately 40–50% of EgAgB total mass. High-performance thin layer chromatography revealed that the native lipid moiety of EgAgB consists of a variety of neutral (mainly triacylglycerides, sterols and sterol esters) and polar (mainly phosphatidylcholine) lipids. Gas-liquid chromatography analysis showed that 16∶0, 18∶0 and 18∶1(n-9) are the most abundant fatty acids in EgAgB. Furthermore, size exclusion chromatography coupled to light scattering demonstrated that EgAgB comprises a population of particles heterogeneous in size, with an average molecular mass of 229 kDa. Our results provide the first direct evidence of the nature of the hydrophobic ligands bound to EgAgB in vivo and indicate that the structure and composition of EgAgB lipoprotein particles are more complex than previously thought, resembling high density plasma lipoproteins. Results are discussed considering what is known on lipid metabolism in cestodes, and taken into account the Echinococcus spp. genomic information regarding both lipid

  14. Current response for a single redox moiety trapped in a closed generator-collector system: the role of capacitive coupling.

    PubMed

    Feldberg, Stephen W; Edwards, Martin A

    2015-04-01

    A theoretical model is proposed to describe the steady-state average limiting current associated with a single redox moiety (ox or red) trapped in a closed generator-collector system along with excess supporting electrolyte. By "closed" we mean that neither solvent nor solutes can enter or leave the system. The potential difference, EOE - ERE, between the oxidizing electrode (OE) and the reducing electrode (RE) is maintained constant with the values of EOE and ERE chosen so that the operative faradaic electrode processes are very fast, i.e., red = ox + nETe(-) (kox = ∞) at the OE and ox + nETe(-) = red (kred = ∞) at the RE. Because there is only a single redox moiety the faradaic process occurs at only one electrode at a time while current at the other electrode is purely capacitive (we refer to this as capacitive coupling). We propose that a two-step process is required to transfer nETqe coulombs (qe is the absolute value of the elemental electronic charge). The first step is associated with diffusion (approximated as a random walk) of a single red moiety to the OE where it is oxidized to ox with a concomitant transfer of qstep1 (= nETqe/(1 + AOECOE/ARECRE)) coulombs; the second step is associated with the diffusion (random walk) of the newly formed single ox moiety to the RE with the concomitant transfer of qstep2 (= nETqe/(1 + ARECRE/AOECOE)) coulombs (ARE,AOE andCRE,COEare the areas (cm(2)) and differential capacitances (farads cm(-2)) of the corresponding electrodes). The total charge transferred in the two steps is nETqe(= qstep1 + qstep2). Transport of the redox moiety from one electrode to the other is accomplished by a random walk. The probability density function (pdf) and cumulative density function (CDF) for the duration of a full redox cycle are presented as the analytical solution to a 1-dimensional bounded random-walk problem (confirmed by numerical simulation). These show that tfull, the average time for the full redox cycle (step 1 + step 2

  15. Technical report writing

    NASA Technical Reports Server (NTRS)

    Vidoli, Carol A.

    1992-01-01

    This manual covers the fundamentals of organizing, writing, and reviewing NASA technical reports. It was written to improve the writing skills of LeRC technical authors and the overall quality of their reports.

  16. SUPERFUND TECHNICAL SUPPORT

    EPA Science Inventory

    Under this task, technical support is provided to Regional Remedial Project Managers (RPMs)/On-Scene Coordinators (OSCs) at Superfund, RCRA, and Brownfields sites contaminated with hazardous materials by the Technical Support Center (TSC) for Monitoring and Site Characterization....

  17. Editing Technical Writing.

    ERIC Educational Resources Information Center

    Samson, Donald C., Jr.

    Intended for students in upper-division technical communication courses and professionals in business and government who want to learn how to edit technical writing, this book describes what technical editors do and how they do it. Throughout the book are exercises that students can use as self-tests; answer keys are provided for checking work.…

  18. Lanthanide coordination polymers based on multi-donor ligand containing pyridine and phthalate moieties: Structures, luminescence and magnetic properties

    SciTech Connect

    Feng, Xun; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Qiang Shi, Zhi; Wu, Xu-Hong; Ng, Seik-Weng

    2013-10-15

    A new family of five lanthanide-organic coordination polymers incorporating multi-functional N-hetrocyclic dicarboxylate ligand, namely, [Ln{sub 2}(Hdpp){sub 2}(dpp){sub 2}]{sub n}Ln=Pr(1), Eu(2), Gd(3), Dy(4), Er(5) (H{sub 2}dpp=1-(3, 4-dicarboxyphenyl) pyridin-4-ol) have been fabricated successfully through solvothermal reaction of 1-(3,4-dicarboxyphenyl)-4-hydroxypyridin-1-ium chloride with trivalent lanthanide salts, and have been characterized systematically. The complexes 1–5 are isomorphous and isostructural. They all feature three dimensional (3D) frameworks based on the interconnection of 1D double chains composed of the binuclear moiety [Ln{sub 2}(Hdpp){sub 2}]{sup 4+} basic carboxylate as secondary building unit (SBU). The results of magnetic analysis shows the same bridging fashion of carboxylic group in this case results in the different magnetic properties occurring within lanthanide polymers. Moreover, the Eu(III) and Dy(III) complexes display characteristic luminescence emission in the visible regions. - Graphical abstract: A new family of lanthanide-organic frameworks incorporating multi-donor twisted ligand has been fabricated successfully, and has been characterized systematically. The complexes 1–5 are isostructural, and all feather three dimensional (3D) frameworks based on the interconnection of 1D double stride chains composed of the binuclear moiety [Ln{sub 2}(Hdpp){sub 2}]{sup 2+} basic carboxylate as secondary building unit (SBU). Display Omitted - Highlights: • New family of lanthanide–organic coordination polymers incorporating multifunctional N-hetrocyclic dicarboxylate ligand has been fabricated. • They have been characterized systematically. • They all feather three dimensional frameworks based on the binuclear moiety of [Ln{sub 2}(Hdpp){sub 2}]{sup 2+}. • The Eu(III) and Dy(III) analogues exhibit intense photoluminescence.

  19. Surface segregation of fluorinated moieties on random copolymer films controlled by random-coil conformation of polymer chains in solution.

    PubMed

    Xue, Dongwu; Wang, Xinping; Ni, Huagang; Zhang, Wei; Xue, Gi

    2009-02-17

    The relationship between solution properties, film-forming methods, and the solid surface structures of random copolymers composed of butyl methacrylate and dodecafluorheptyl methylacrylate (DFHMA) was investigated by contact angle measurements, X-ray photoelectron spectroscopy, sum frequency generation vibrational spectroscopy, and surface tension measurements. The results, based on thermodynamic considerations, demonstrated that the random copolymer chain conformation at the solution/air interface greatly affected the surface structure of the resulting film, thereby determining the surface segregation of fluorinated moieties on films obtained by various film-forming techniques. When the fluorinated monomer content of the copolymer solution was low, entropic forces dominated the interfacial structure, with the perfluoroalkyl groups unable to migrate to the solution/air interface and thus becoming buried in a random-coil chain conformation. When employing this copolymer solution for film preparation by spin-coating, the copolymer chains in solution were likely extended due to centrifugal forces, thereby weakening the entropy effect of the polymer chains. Consequently, this resulted in the segregation of the fluorinated moieties on the film surface. For the films prepared by casting, the perfluoroalkyl groups were, similar to those in solution, incapable of segregating at the film surface and were thus buried in the random-coil chains. When the copolymers contained a high content of DFHMA, the migration of perfluoroalkyl groups at the solution/air interface was controlled by enthalpic forces, and the perfluoroalkyl groups segregated at the surface of the film regardless of the film-forming technique. The aim of the present work was to obtain an enhanced understanding of the formation mechanism of the chemical structure on the surface of the polymer film, while demonstrating that film-forming methods may be used in practice to promote the segregation of fluorinated

  20. 76 FR 80226 - Technical Amendments

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-23

    ... ADMINISTRATION 12 CFR Part 701 Technical Amendments AGENCY: National Credit Union Administration (NCUA). ACTION... designation to make minor, nonsubstantive technical corrections. The technical amendments update the... technical corrections. The corrections are necessary to update and conform the regulation to current...

  1. Functionalization of Cyclodextrins with N-Hydroxyphthalimide Moiety: A New Class of Supramolecular Pro-Oxidant Organocatalysts.

    PubMed

    Melone, Lucio; Petroselli, Manuel; Pastori, Nadia; Punta, Carlo

    2015-01-01

    N-hydroxyphthalimide (NHPI) is an organocatalyst for free-radical processes able to promote the aerobic oxidation of a wide range of organic substrates. In particular, NHPI can catalyze the hydroperoxidation of polyunsaturated fatty acids (PUFA). This property could be of interest for biological applications. This work reports the synthesis of two β-cyclodextrin derivatives (CD5 and CD6) having a different degree of methylation and bearing a NHPI moiety. These compounds, having different solubility in water, have been successfully tested for the hydroperoxidation of methyl linoleate, chosen as the PUFA model molecule. PMID:26334267

  2. Synthesis of new chalcone derivatives bearing 2,4-thiazolidinedione and benzoic acid moieties as potential anti-bacterial agents.

    PubMed

    Liu, Xiao-Fang; Zheng, Chang-Ji; Sun, Liang-Peng; Liu, Xue-Kun; Piao, Hu-Ri

    2011-08-01

    A series of chalcone derivatives bearing the 2,4-thiazolidinedione and benzoic acid moieties (8a-s) were synthesized, characterized, and evaluated for their anti-bacterial activity. Among the tested compounds, the most effective were 8a, 8h, 8k, 8n and 8q with MIC value in the range of 0.5-4 μg/mL against six Gram-positive bacteria (including multidrug-resistant clinical isolates). None of the compounds exhibited any activity against the Gram-negative bacteria Escherichia coli 1356 and E. coli 1682 at 64 μg/mL. PMID:21624712

  3. Antifouling behaviour of silicon surfaces modified with self-assembled monolayers containing both ethylene glycol and charged moieties

    NASA Astrophysics Data System (ADS)

    Ng, Cheuk Chi Albert; Ciampi, Simone; Harper, Jason B.; Gooding, J. Justin

    2010-08-01

    Herein reported is the synthesis of functionalised oligoethylene glycol molecules, with an azido group at one end and an ionisable group at the other end, and their attachment onto alkyne-terminated silicon(100) surfaces using 'click' chemistry. The modified surfaces were characterised using X-ray photoelectron spectroscopy (XPS) and water contact angle goniometry. The antifouling behaviour of these surfaces was assessed and it was shown that while surfaces presenting both charged and ethylene glycol moieties are antifouling, the antifouling effectiveness is influenced by the surface charge as modulated via the pH of the solution.

  4. One-pot synthesis and antifungal activity against plant pathogens of quinazolinone derivatives containing an amide moiety.

    PubMed

    Zhang, Jin; Liu, Jia; Ma, Yangmin; Ren, Decheng; Cheng, Pei; Zhao, Jiawen; Zhang, Fan; Yao, Yuan

    2016-05-01

    An efficient one-pot, three-component synthesis of quinazolinone derivatives containing 3-acrylamino motif was carried out using CeO2 nanoparticles as catalyst. Thirty-nine synthesized compounds were obtained with satisfied yield and elucidated by spectroscopic analysis. Four phytopathogenic fungi were chosen to test the antifungal activities by minimum inhibitory concentration (MIC) method. Compounds 4ag, 4bb, 4bc showed broad antifungal activities against at least three fungi, and dramatic effects of substituents on the activities were observed. Docking studies were established to explore the potential antifungal mechanism of quinazolinone derivatives as the chitinase inhibitors, and also verified the importance of the amide moiety. PMID:27040656

  5. Synthesis and Evaluation of Novel α-Aminoamides Containing an Indole Moiety for the Treatment of Neuropathic Pain.

    PubMed

    Li, Haotian; Fan, Shiyong; Cheng, Jingchao; Zhang, Ping; Zhong, Bohua; Shi, Weiguo

    2016-01-01

    The α-aminoamide family of sodium ion channel blockers have exhibited analgesic effects on neuropathic pain. Here, a series of novel α-aminoamides containing an indole ring were designed and synthesized. These compounds were evaluated in mice using a formalin test and they exhibited significant anti-allodynia activities. However, the analgesic mechanism of these compounds remains unclear; a subset of the synthesized compounds can only moderately inhibit the sodium ion channel, Nav1.7, in a whole-cell patch clamp assay. Overall, these results suggest that introduction of an indole moiety to α-aminoamide derivatives can significantly improve their bioactivity and further study is warranted. PMID:27347907

  6. Synthesis and structure-activity relationship study of benzofuran-based chalconoids bearing benzylpyridinium moiety as potent acetylcholinesterase inhibitors.

    PubMed

    Mostofi, Manizheh; Mohammadi Ziarani, Ghodsi; Mahdavi, Mohammad; Moradi, Alireza; Nadri, Hamid; Emami, Saeed; Alinezhad, Heshmatollah; Foroumadi, Alireza; Shafiee, Abbas

    2015-10-20

    A series of benzofuran-based chalconoids 6a-v were designed and synthesized as new potential AChE inhibitors. The in vitro assay of synthesized compounds 6a-v showed that most compounds had significant anti-AChE activity at micromolar or sub-micromolar levels. Among the tested compounds, 3-pyridinium derivative 6m bearing N-(2-bromobenzyl) moiety and 7-methoxy substituent on the benzofuran ring exhibited superior activity. This compound with IC₅₀ value of 0.027 μM was as potent as standard drug donepezil. PMID:26363872

  7. An improved molecular design of obtaining NLO active molecular glasses using triphenyl moieties as amorphous phase formation enhancers

    NASA Astrophysics Data System (ADS)

    Traskovskis, Kaspars; Mihailovs, Igors; Tokmakovs, Andrejs; Kokars, Valdis; Rutkis, Martins

    2012-06-01

    New molecular design of obtaining molecular glasses has been developed by linking triphenylmethyl moieties to chromophore core by flexible C-C bridge. Compounds capable of forming stable amorphous phase with good optical quality have been acquired with increased chemical and thermal sustainability compared to the previously reported design. NLO activity of compounds has been measured after corona discharge polling. Compared to previously synthesized trityloxy fragment containing compounds increase of d33 coefficient by up to 17 times was achieved for the same chromophore core containing compounds.

  8. Pretilt Angles of Vertically Aligned Nematic Liquid Crystal (NLC) with the Application of Copolymers Possessing Chalconyl and Cholesteryl Moieties

    NASA Astrophysics Data System (ADS)

    Hwang, Jeoung-Yeon; Seo, Dae-Shik; Son, Jong Ho; Suh, Dong Hack

    2000-11-01

    We performed the synthesis of a new copoly (M4Ch-ChMA), copoly ((4-methacryloyloxy) chalcone-cholestery methacrylate), with chalconyl and cholesteryl moiety characteristics for photoalignment materials. Good thermal stabilities of the synthesized copolymers are confirmed by thermogravimetric analysis (TGA) measurement. The pretilt angles of the nematic liquid crystal (NLC) are reduced as UV exposure time is increased on the copolymer surfaces. A pretilt angle of 81° in NLC was observed with UV exposure of 3 min on the copolymer-3 surface. The NLCs pretilt angle is attributed to increased chalcone with increasing the UV exposure time.

  9. Biosynthesis of triacylglycerols containing very long chain monounsaturated acyl moieties in developing seeds. [Lunaria annua L. ; Sinapis alba L

    SciTech Connect

    Fehling, E.; Murphy, D.J.; Mukherjee, K.D. )

    1990-10-01

    Particulate (15,000g) fractions from developing seeds of honesty (Lunaria annua L.) and mustard (Sinapis alba L.) synthesize radioactive very long chain monounsaturated fatty acids (gadoleic, erucic, and nervonic) from (1-{sup 14}C)oleoyl-CoA and malonyl-CoA or from oleoyl-CoA and (2-{sup 14}C)malonyl-CoA. The very long chain monounsaturated fatty acids are rapidly channeled to triacylglycerols and other acyl lipids without intermediate accumulation of their CoA thioesters. When (1-{sup 14}C)oleoyl-CoA is used as the radioactive substrate, phosphatidylcholines and other phospholipids are most extensively radiolabeled by oleoyl moieties rather than by very long chain monounsaturated acyl moieties. When (2-{sup 14}C)malonyl-CoA is used as the radioactive substrate, no radioactive oleic acid is formed and the newly synthesized very long chain monounsaturated fatty acids are extensively incorporated into phosphatidylcholines and other phospholipids as well as triacylglycerols. The pattern of labeling of the key intermediates of the Kennedy pathway, e.g. lysophosphatidic acids, phosphatidic acids, and diacylglycerols by the newly synthesized very long chain monounsaturated fatty acids is consistent with the operation of this pathway in the biosynthesis of triacylglycerols.

  10. Polypeptide nanogels with hydrophobic moieties in the cross-linked ionic cores: Synthesis, characterization and implications for anticancer drug delivery

    PubMed Central

    Kim, Jong Oh; Oberoi, Hardeep S.; Desale, Swapnil; Kabanov, Alexander V.; Bronich, Tatiana K.

    2014-01-01

    Polymer nanogels have gained considerable attention as a potential platform for drug delivery applications. Here we describe the design and synthesis of novel polypeptide-based nanogels with hydrophobic moieties in the cross-linked ionic cores. Diblock copolymer, poly(ethylene glycol)-b-poly(L-glutamic acid), hydrophobically modified with L-phenylalanine methyl ester moieties was used for controlled template synthesis of nanogels with small size (ca. 70 nm in diameter) and narrow particle size distribution. Steady-state and time-resolved fluorescence studies using coumarin C153 indicated the existence of hydrophobic domains in the ionic cores of the nanogels. Stable doxorubicin-loaded nanogels were prepared at high drug capacity (30 w/w%). We show that nanogels are enzymatically-degradable leading to accelerated drug release under simulated lysosomal acidic pH. Furthermore, we demonstrate that the nanogel-based formulation of doxorubicin is well tolerated and exhibit an improved antitumor activity compared to a free doxorubicin in an ovarian tumor xenograft mouse model. Our results signify the point to a potential of these biodegradable nanogels as attractive carriers for delivery of chemotherapeutics. PMID:23998716

  11. Catalytic activity of transition metal-N4 moieties in graphene toward the oxygen reduction reaction: A DFT study

    NASA Astrophysics Data System (ADS)

    Orellana, Walter

    2013-03-01

    The search for non-precious metal cathode catalysts for the oxygen reduction reaction (ORR) that replace platinum in proton exchange membrane fuel cells is one of the main challenges toward the use of hydrogen as clean energy for transportation. Most current works on ORR catalysts focuses on N-coordinated iron in a carbon matrix. Although the nature of the active site is still a mystery, different carbon-supported Fe-Nx active sites have been proposed. In this work, The O2 dissociation after the interaction with the metal center of M-N4 moieties in graphene (with M = Mn, Fe, and Co) are addressed by density functional theory calculations. Both, saddle points and minimum energy paths for the ORR in the allowed spin channels have been identified. Our results show that the Mn-N4 center in graphene exhibits the lowest activation barrier in all spin channel, less than 1 eV, suggesting improved ORR activity, while for Fe-N4 and Co-N4 they range between 1.2 and 1.6 eV. Our calculations suggest that the O2 dissociation would proceed through different spin channel which would increase the reaction rate, particularly for Mn-O2 and Fe-O2 moieties. We also investigate energetically favorable routes to incorporate the M-N4 centers in graphene. Work supported by FONDECYT under Grant No. 1090489

  12. Polyoxypregnane steroids with an open-chain sugar moiety from Marsdenia tenacissima and their chemoresistance reversal activity.

    PubMed

    Yao, Sheng; To, Kenneth Kin-Wah; Ma, Liang; Yin, Chun; Tang, Chunping; Chai, Stella; Ke, Chang-Qiang; Lin, Ge; Ye, Yang

    2016-06-01

    A polyoxypregnane aglycone, 12β-O-acetyl-11α-O-isobutyryltenacigenin B, and four polyoxypregnane glycosides with a pachybionic acid ester moiety, 12β-O-acetyl-3-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-β-D-oleandronyl)-11α-O-isobutyryltenacigenin B, 12β-O-acetyl-3-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-β-D-oleandronyl)-11α-O-tigloyltenacigenin B, 12β-O-acetyl-3-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-β-D-oleandronyl)-11α-O-2-methylbutyryltenacigenin B, and 12β-O-acetyl-3-O-(β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-D-oleandronyl)-11α-O-tigloyltenacigenin B, were isolated from the canes of Marsdenia tenacissima, together with a disaccharide derivative. Their structures were elucidated by extensive spectroscopic analysis, and the absolute configurations were further determined by X-ray crystallographic analysis. With the exception of the disaccharide derivative, all five compounds are unusual naturally occurring polyoxypregnane glycosides bearing an open-chain sugar moiety. Two of these exhibit a wide spectrum of chemoresistance reversal activity, and potential mechanisms were studied accordingly. PMID:26988729

  13. Fmoc solid-phase synthesis of C-terminal modified peptides by formation of a backbone cyclic urethane moiety.

    PubMed

    Elashal, Hader E; Cohen, Ryan D; Raj, Monika

    2016-08-11

    C-terminally modified peptides are of high significance due to the therapeutic properties that accompany various C-terminal functional groups and the ability to manipulate them for further applications. Thus, there is a great necessity for an effective solid phase technique for the synthesis of C-terminally modified peptides. Here, we report a universal solid phase strategy for the synthesis of various C-terminal modified peptides which is independent of the type of resins, linkers, and unnatural moieties typically needed for C-terminal modifications. The technique proceeds by the modification of C-terminal serine to a cyclic urethane moiety which results in the activation of the backbone amide chain for nucleophilic displacement by various nucleophiles to generate C-terminally modified acids, esters, N-aryl amides, and alcohols. This cyclic urethane technique (CUT) also provides a general strategy for synthesis of C-terminal protected peptides that can be used for convergent synthesis of large peptides. The C-terminal protecting groups are cleaved by facile hydrolysis to release the free peptide. PMID:27407005

  14. Enhanced anticancer activity of nanopreparation containing an MMP2-sensitive PEG-drug conjugate and cell-penetrating moiety.

    PubMed

    Zhu, Lin; Wang, Tao; Perche, Federico; Taigind, Anton; Torchilin, Vladimir P

    2013-10-15

    In response to the challenges of cancer chemotherapeutics, including poor physicochemical properties, low tumor targeting, insufficient tumor cell internalization/bioavailability, and side effects, we developed a unique tumor-targeted micellar drug-delivery platform. Using paclitaxel as a model therapeutic, a nanopreparation composed of a matrix metalloproteinase 2 (MMP2)-sensitive self-assembly PEG 2000-paclitaxel conjugate (as a prodrug and MMP 2-sensitive moiety), transactivating transcriptional activator peptide-PEG1000-phosphoethanolamine (PE) (a cell-penetrating enhancer), and PEG1000-PE (a nanocarrier building block) was prepared. Several major drug delivery strategies, including self-assembly, PEGylation, the enhanced permeability and retention effect, stimulus sensitivity, a cell-penetrating moiety, and the concept of prodrug, were used in design of this nanoparticle in a collaborative manner. The nanopreparation allowed superior cell internalization, cytotoxicity, tumor targeting, and antitumor efficacy in vitro and in vivo over its nonsensitive counterpart, free paclitaxel and conventional micelles. This uniquely engineered nanoparticle has potential for effective intracellular delivery of drug into cancer cells. PMID:24062440

  15. A Novel Way To Radiolabel Human Butyrylcholinesterase for Positron Emission Tomography through Irreversible Transfer of the Radiolabeled Moiety.

    PubMed

    Sawatzky, Edgar; Al-Momani, Ehab; Kobayashi, Ryohei; Higuchi, Takahiro; Samnick, Samuel; Decker, Michael

    2016-07-19

    The enzyme butyrylcholinesterase (BChE) is known to be involved in the detoxification of xenobiotics in blood plasma and is associated with the progress of neurodegenerative disorders, diabetes type 2, obesity, and diseases of the cardiovascular system. In the present study, we developed carbamate-based inhibitors serving as positron emission tomography (PET) radiotracers with (18) F and (11) C as radioisotopes to visualize BChE distribution. These inhibitors are radiolabeled at the carbamate site and transfer this moiety onto BChE, which thus results in covalent and permanent radiolabeling of the enzyme. There are no comparable radiotracers for cholinesterases described to date. By ex vivo autoradiography experiments on mice brain slices and kinetic investigations, selective and covalent transfer of the radiolabeled carbamate moiety onto BChE was proven. These tracers might provide high resolution of BChE distribution in vivo to enable investigations into the pathophysiological mechanisms of diseases associated with alterations in BChE occurrence. PMID:27348083

  16. Role of the phenolic OH moiety of GluN2B-selective NMDA antagonists with 3-benzazepine scaffold.

    PubMed

    Dey, Sougata; Schepmann, Dirk; Wünsch, Bernhard

    2016-02-01

    In order to analyze the role of the phenolic OH moiety of ifenprodil (1) and 3-benzazepin-1,7-diol 2 for the affinity and selectivity at GluN2B subunit containing NMDA receptors, the 3-benzazepin-1-ols 3 were designed, synthesized and pharmacologically evaluated and furthermore, the molecular interactions of the phenylbutyl derivative 3c with the GluN2B receptor were investigated. In order to avoid decarbonylation during the intramolecular Friedel-Crafts acylation of 11, the N-atom has to be protected with a trifluoromethylsulfonyl group. The second key step of the synthesis was the removal of the N-triflyl group, which was realized by K2CO3 induced elimination of trifluoromethanelsulfinate (F3CSO2(-)). In receptor binding studies with the radioligand [(3)H]ifenprodil the 3-benzazepin-1-ol 3c revealed a GluN2B affinity of 73 nM indicating that the phenolic OH moiety of 1 and 2 is not essential but favorable for high GluN2B affinity. In docking studies 3-benzazepin-1-ol 3c shows the same binding pose as ifenprodil-keto 1A in the X-ray crystal structure. H-bond interactions and lipophilic interactions of 3c and 1A are very similar. PMID:26750254

  17. Two-dimensional NMR spectroscopy links structural moieties of soil organic matter to the temperature sensitivity of its decomposition

    NASA Astrophysics Data System (ADS)

    Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen

    2015-04-01

    Soil organic matter (SOM) represents a huge carbon pool, specifically in boreal ecosystems. Warming-induced release of large amounts of CO2 from the soil carbon pool might become a significant exacerbating feedback to global warming, if decomposition rates of boreal soils were more sensitive to increased temperatures. Despite a large number of studies dedicated to the topic, it has proven difficult to elucidate how the organo-chemical composition of SOM influences its decomposition, or its quality as a substrate for microbial metabolism. A great part of this challenge results from our inability to achieve a detailed characterization of the complex composition of SOM on the level of molecular structural moieties. 13C nuclear magnetic resonance (NMR) spectroscopy is a common tool to characterize SOM. However, SOM is a very complex mixture and the chemical shift regions distinguished in the 13C NMR spectra often represent many different molecular fragments. For example, in the carbohydrates region, signals of all monosaccharides present in many different polymers overlap. This overlap thwarts attempts to identify molecular moieties, resulting in insufficient information to characterize SOM composition. We applied two-dimensional (2D) NMR to characterize SOM with highly increased resolution. We directly dissolved finely ground litters and forest floors'fibric and humic horizons'of both coniferous and deciduous boreal forests in dimethyl sulfoxide and analyzed the resulting solution with a 2D 1H-13C NMR experiment. In the 2D planes of these spectra, signals of CH groups can be resolved based on their 13C and 1H chemical shifts, hence the resolving power and information content of these NMR spectra is hugely increased. The 2D spectra indeed resolved overlaps observed in 1D 13C spectra, so that hundreds of distinct CH groups could be observed and many molecular fragments could be identified. For instance, in the aromatics region, signals from individual lignin units could

  18. Technical Mathematics: Restructure of Technical Mathematics.

    ERIC Educational Resources Information Center

    Flannery, Carol A.

    Designed to accompany a series of videotapes, this textbook provides information, examples, problems, and solutions relating to mathematics and its applications in technical fields. Chapter I deals with basic arithmetic, providing information on fractions, decimals, ratios, proportions, percentages, and order of operations. Chapter II focuses on…

  19. Technical Education in Cyprus.

    ERIC Educational Resources Information Center

    Bradshaw, Larry L.

    1993-01-01

    Since independence from Britain in 1960, the establishment and organization of technical education has been one of the Cyprus government's primary concerns. Recently, Cyprus has stressed the college-preparatory course in both the gymnasium (high school) and vocational/technical curriculum. The Cyprus education system produces highly qualified…

  20. Technical Training for Managers.

    ERIC Educational Resources Information Center

    Haverland, Edgar M.

    The question has arisen as to what kind of information a manager without extensive technical training needs to learn to supervise effectively. For example, the Nike Hercules fire control platoon leader, usually an officer in his first active duty assignment, seldom has had extensive technical training. Yet he is responsibile for the…

  1. Toward a Technical Humanism

    ERIC Educational Resources Information Center

    Malassis, Louis

    1977-01-01

    Examines the relationship between education and development in developing nations. Advocates the fostering of a technical humanism--the development of knowledge in all its forms as a basis for action. In this system, technical education is as highly valued as general education. The system, and its applications to rural education is discussed. (CP)

  2. Databases Improve Technical Studies

    ERIC Educational Resources Information Center

    Graube, Gabriele

    2004-01-01

    In Lower Saxony, technology studies as part of preparing technical education teachers for primary and partly for secondary education can be studied only at two universities--the Technical University of Brunswick and the University of Oldenburg. Technology education is not available at the Gymnasium (a type of secondary school leading to the…

  3. Scientific and Technical English.

    ERIC Educational Resources Information Center

    Vaclavik, Jaroslav

    Technical English differs from everyday English because of the specialized contexts in which it is used and because of the specialized interests of scientists and engineers. This text provides exercises in technical and scientific exposition in the following fields: mathematics, physics, temperature effects, mechanics, dynamics, conservation of…

  4. Technical and Vocational Training.

    ERIC Educational Resources Information Center

    Vocational Training, 1993

    1993-01-01

    This issue focuses on the various forms that secondary technical and vocational education takes in different European Community Member States. "The Future for Skilled Workers" is an interview with Burkart Lutz, a German researcher. Other articles are as follows: "Contradictions in Technical and Vocational Education: The Outlook" (Paolo Garonna);…

  5. RADIATION SITES TECHNICAL WORKGROUP

    EPA Science Inventory

    Much of the radiation expertise in EPA is located in the Region Offices. The EPA Radiation Sites Technical Workgroup is an interoffice technical workgroup within EPA which provides a focal point for radiation expertise. The Workgroup has members from each region, as well as the...

  6. Technical Manual. The ACT®

    ERIC Educational Resources Information Center

    ACT, Inc., 2014

    2014-01-01

    This manual contains technical information about the ACT® college readiness assessment. The principal purpose of this manual is to document the technical characteristics of the ACT in light of its intended purposes. ACT regularly conducts research as part of the ongoing formative evaluation of its programs. The research is intended to ensure that…

  7. Research in Technical Colleges

    ERIC Educational Resources Information Center

    MacLennan, A.

    2008-01-01

    Purpose: The purpose of this paper is to list and demonstrate areas in which research needs to be carried out, or questions answered, in order to raise the quality of technical education. Design/methodology/approach: The area of technical education expanded very rapidly in the late 1950s, and there was little comprehensive knowledge regarding the…

  8. Molecular insight in the purification of immunoglobulin by pseudobiospecific ligand l-histidine and histidyl moieties in histidine ligand affinity chromatography (HLAC) by molecular docking.

    PubMed

    Savane, Tushar S; Kumar, Sanjit; Janakiraman, Vignesh Narasimhan; Kamalanathan, Agamudi S; Vijayalakshmi, Mookambeswaran A

    2016-05-15

    Pseudobiospecific ligand l-histidine is an inexpensive, highly stable, non-toxic ligand explored successfully over the last twenty years for the purification of immunoglobulins in immobilised histidine ligand affinity chromatography. It is of great interest to know the molecular recognition sites of IgG to immobilized l-histidine. Here, we have used an in silico approach to explore the molecular recognition of l-histidine by IgG. We have assessed the feasible binding modes of histidine and its moieties at different sites of IgG and considered only those binding conformations which are exhibited via the imidazole ring NH group or any other OH donating group apart from the ones which are terminally conjugated with the support matrix. We categorised binding site into two categories; category I: inner binding groove and category II: surface binding groove and observed that the hinge region of IgG has most favourable binding pocket for l-histidine and histidyl moieties. Ser and Tyr residues on the hinge region make several significant interactions with l-histidine and histidyl moieties. In case of Fc region of IgG, l-histidine and histidyl moieties closely resemble the binding modes of Protein A, biomimetic ligand 22/8 and B domain of SpA to IgG. In addition to these we have also observed a significant binding site for l-histidine and histidyl moieties at Fab region of IgG. PMID:26476866

  9. Synthesis of new chalcone derivatives containing a rhodanine-3-acetic acid moiety with potential anti-bacterial activity.

    PubMed

    Chen, Zhen-Hua; Zheng, Chang-Ji; Sun, Liang-Peng; Piao, Hu-Ri

    2010-12-01

    With an intention to synergize the anti-bacterial activity of chalcones and rhodanine-3-acetic acid, several hybrid compounds possessing chalcone and rhodanine-3-acetic acid moieties were synthesized and tested for their anti-bacterial activity. Some compounds presented great anti-microbial activities against Gram-positive bacteria (including the multidrug-resistant clinical isolates). This class of compounds presented high potency against Staphylococcus aureus, among which the derivatives 5k with a MIC of 2 μg/mL was as active as the standard drug (norfloxacin) and less active than oxacillin. Compounds 5a-s did not inhibit the growth of Gram-negative bacteria Escherichia coli CCARM 1924 or E. coli CCARM 1356 at 64 μg/mL. PMID:20889240

  10. New Poly(amide-imide)/Nanocomposites Reinforced Silicate Nanoparticles Based on N-pyromellitimido-L-phenyl Alanine Containing Ether Moieties

    NASA Astrophysics Data System (ADS)

    Faghihi, Khalil; Shabanian, Meisam; Dadfar, Ehsan

    2012-02-01

    A series of Poly(amide-imide)/montmorillonite nanocomposites containing N-pyromellitimido-L-phenyl alanine moiety in the main chain were synthesized by a convenient solution intercalation technique. Poly(amide-imide) (PAI) 5 as a source of polymer matrix was synthesized by the direct polycondensation reaction of N-pyromellitimido-L-phenyl alanine 3 with 4,4'-diamino diphenyl ether 4 in the presence of triphenyl phosphite (TPP), CaCl2, pyridine and N-methyl-2-pyrrolidone (NMP). The resulting nanocomposite films were characterized by Fourier transform infrared spectra (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and thermogravimetric analysis (TGA). The results showed that organo-modified clay was dispersed homogeneously in PAI matrix. TGA indicated an enhancement of thermal stability of new nanocomposites compared with the pure polymer.

  11. Synthesis of C60(O)3: an open-cage fullerene with a ketolactone moiety on the orifice.

    PubMed

    Xin, Nana; Yang, Xiaobing; Zhou, Zishuo; Zhang, Jianxin; Zhang, Showxin; Gan, Liangbing

    2013-02-01

    Four isomers are currently known for the trioxygenated fullerene derivative C(60)(O)(3), three regioisomers with all of the oxygen addends as epoxy groups and the unstable ozonide isomer with a 1,2,3-trioxlane ring. Here we report the synthesis of an open-cage isomer for C(60)(O)(3) with a ketolactone moiety embedded into the fullerene skeleton through a three-step procedure mediated by fullerene peroxide chemistry. Two fullerene skeleton carbon-carbon bonds are cleaved in the process. The open-cage derivative C(60)(O)(3) can be converted back to C(60) through deoxygenation with PPh(3). Single crystal X-ray structure confirmed the open-cage structure. PMID:23311689

  12. Synthesis and antitumor activity evaluation of quinazoline derivatives bearing piperazine-1-carbodithioate moiety at C4-position.

    PubMed

    Zhang, Ying; Yang, Chao-Rui; Tang, Xue; Cao, Sheng-Li; Ren, Ting-Ting; Gao, Man; Liao, Ji; Xu, Xingzhi

    2016-10-01

    A series of quinazoline derivatives bearing piperazine-1-carbodithioate moiety at the C4-position were synthesized using piperidine and 1-bromo-3-chloropropane as starting materials via eight steps. Final compounds 8a-q and 9a-i were evaluated for their antiproliferative activity against human lung cancer A549, breast adenocarcinoma MCF-7, and colorectal cancer HCT-116 cell lines. The results showed that fourteen of twenty-six final compounds inhibited the proliferation of three cancer cell lines with IC50 values less than 10μM. When treated with a representative compound 8n, HCT-116 cells were arrested at G0/G1 phase of the cell cycle. This provided a clue to further investigation of the mechanism of action. PMID:27575478

  13. Synthesis, biological evaluation and molecular docking studies of resveratrol derivatives possessing curcumin moiety as potent antitubulin agents.

    PubMed

    Ruan, Ban-Feng; Lu, Xiang; Li, Ting-Ting; Tang, Jian-Feng; Wei, Yao; Wang, Xiao-Liang; Zheng, Shi-Li; Yao, Ri-Sheng; Zhu, Hai-Liang

    2012-01-15

    A series of resveratrol derivatives possessing curcumin moiety were synthesized and evaluated for their antiproliferative activity against three cancer cell lines including murine melanoma B16-F10, human hepatoma HepG2 and human lung carcinoma A549. Among them, compound C5 displayed the most potent in vitro antiproliferative activity against B16-F10 with IC(50) value of 0.71 μg/mL. Compound C5 also exhibited good tubulin polymerization inhibitory activity with IC(50) value of 1.45 μg/mL. Furthermore, docking simulation was carried out to position C5 into the tubulin-colchicine binding site to determine the probable binding mode. PMID:22189271

  14. Synthesis and in vitro antiproliferative evaluation of novel nonsymmetrical disulfides bearing 1,3,4-oxadiazole moiety.

    PubMed

    Zhao, Ji-Jun; Wang, Xue-Feng; Li, Bao-Lin; Zhang, Rui-Lian; Li, Bo; Liu, Yu-Ming; Li, Cai-Wen; Liu, Jin-Biao; Chen, Bao-Quan

    2016-09-15

    A series of novel nonsymmetrical disulfides bearing 1,3,4-oxadiazole moiety were designed, synthesized and evaluated for their in vitro antiproliferative activities against SMMC-7721, Hela and A549 human cancer cell lines by CCK-8 assay. The preliminary bioassay results demonstrated that all tested compounds 7a-7o exhibited antiproliferation with different degrees, and some compounds showed better effects than positive control 5-fluorouracil against various cancer cell lines. Among these compounds, compound 7j showed significant antiproliferative activity against SMMC-7721 cells with IC50 value of 3.40μM. Compound 7a displayed highly effective biological activity against Hela cells with IC50 value of 4.26μM. Compound 7g exhibited the best inhibitory effect against A549 cells with IC50 value of 6.26μM. PMID:27542307

  15. Photoelectric and electrical properties of soluble polyphenylquinolines containing an oxygen or phenylamine bridge group between quinoline moieties

    SciTech Connect

    Aleksandrova, E. L.; Svetlychnyi, V. M. Miagkova, L. A.; Nekrasova, T. N.; Tameev, A. R.; Vannikov, A. V.; Kudryavtsev, V. V.

    2009-03-15

    Photoelectric and electrical properties of polyphenylquinolines differing in the structure of donor bridge groups between quinoline moieties have been studied. It is demonstrated that films of the polymers synthesized exhibit a photosensitivity at the level of 10{sup 5} cm{sup 2} J{sup -1} (integrated sensitivity 5 x 10{sup -4} lx{sup -1} . s{sup -1}), with a quantum yield of carrier photogeneration of 0.07 and a carrier drift mobility on the order of 10{sup -6} cm{sup 2} V{sup -1} s{sup -1}. The fact that the electron and hole drift mobilities in polyphenylquinoline with a phenylamine bridge group are balanced makes the polymer promising for development of film-type devices based on the bipolar conductivity of a material (e.g., single-layer light-emitting diode)

  16. D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.

    PubMed

    Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E; Villacampa, Belén; Casado, Juan; Andreu, Raquel

    2015-12-18

    Chromophores where a polyenic spacer separates a 4H-pyranylidene or benzothiazolylidene donor and three different butenolide nitriles have been synthesized and characterized. The role of 2(5H)-furanones as acceptor units on the polarization and the second-order nonlinear (NLO) properties has been studied. Thus, their incorporation gives rise to moderately polarized structures with NLO responses that compare favorably to those of related compounds featuring more efficient electron-withdrawing moieties. Derivatives of the proaromatic butenolide PhFu show the best nonlinearities. Benzothiazolylidene-containing chromophores present less alternated structures than their pyranylidene analogues, and, unlike most merocyanines, the degree of charge transfer does not decrease on lengthening the π-bridge. PMID:26588012

  17. Design, Synthesis and Biological Evaluation of Novel Bromophenol Derivatives Incorporating Indolin-2-One Moiety as Potential Anticancer Agents

    PubMed Central

    Wang, Li-Jun; Wang, Shuai-Yu; Jiang, Bo; Wu, Ning; Li, Xiang-Qian; Wang, Bao-Cheng; Luo, Jiao; Yang, Meng; Jin, Shui-Hua; Shi, Da-Yong

    2015-01-01

    A series of bromophenol derivatives containing indolin-2-one moiety were designed and evaluated that for their anticancer activities against A549, Bel7402, HepG2, HeLa and HCT116 cancer cell lines using MTT assay in vitro. Among them, seven compounds (4g–4i, 5h, 6d, 7a, 7b) showed potent activity against the tested five human cancer cell lines. Wound-healing assay demonstrated that compound 4g can be used as a potent compound for inactivating invasion and metastasis by inhibiting the migration of cancer cells. The structure–activity relationships (SARs) of bromophenol derivatives had been discussed, which were useful for exploring and developing bromophenol derivatives as novel anticancer drugs. PMID:25648512

  18. Optically active poly(amide-imide)/TiO2 nanocomposites containing amino acid moieties: synthesis and properties.

    PubMed

    Rafiee, Zahra; Zare, Elham

    2015-11-01

    The novel optically active poly(amide-imide) (PAI)/TiO2 nanocomposites containing fluorene moieties have been successfully synthesized through ultrasonic irradiation. The surface of nanoparticles was chemically modified with γ-aminopropyltriethoxyl silane to enhance the compatibility with polymeric matrix and to avoid the aggregation of nanoparticles. The dispersion of surface-modified TiO2 in PAI film was confirmed by the transmission electron microscope (TEM) analysis showing the well-dispersed nanosized TiO2 nanoparticles. The thermal stabilities and optical properties of PAI/surface-modified TiO2 nanocomposite films were also investigated. The thermogravimetric analysis data showed an improvement of thermal stability of novel nanocomposite films as compared to the pure polymer. PMID:26002811

  19. Ferrocenyl Paclitaxel and Docetaxel Derivatives: Impact of an Organometallic Moiety on the Mode of Action of Taxanes.

    PubMed

    Wieczorek, Anna; Błauż, Andrzej; Żal, Aleksandra; Arabshahi, Homayon John; Reynisson, Jóhannes; Hartinger, Christian G; Rychlik, Błażej; Plażuk, Damian

    2016-08-01

    A series of ferrocenyl analogues and derivatives of paclitaxel and docetaxel were synthesised and assayed for their antiproliferative/cytotoxic effects, impact on the cell cycle distribution and ability to induce tubulin polymerisation. The replacement of the 3'-N-benzoyl group of paclitaxel with a ferrocenoyl moiety, in particular, led to formation of an analogue that was at least one order of magnitude more potent in terms of antiproliferative activity than the parent compound (IC50 values of 0.11 versus 1.11 μm, respectively), but still preserved the classical taxane mode of action, that is, microtubule stabilisation leading to mitotic arrest. Molecular docking studies revealed an unexpected binding pocket in the tubulin structure for the ferrocenoyl group introduced in the paclitaxel backbone. PMID:27376707

  20. Thermal and Optical Properties of New Poly(amide-imide)/Nanocomposite Reinforced by Layer Silicate Containing Diphenyl Ether Moieties

    NASA Astrophysics Data System (ADS)

    Faghihi, Khalil; Faramarzi, Ellahe; Shabanian, Meisam

    2011-04-01

    New poly(amide-imide)-montmorillonite reinforced nanocomposites containing Bis(4-N-trimellitylimido) diphenyl ether moiety in the main chain were synthesized by a convenient solution intercalation technique. Poly(amide-imide) (PAI) 4 was synthesized by the direct polycondensation reaction of Bis(4-N-trimellitylimido) diphenyl ether 3 with 4,4'-diamino diphenyl ether 2 in the presence of triphenyl phosphite (TPP), CaCl2, pyridine and N-methyl-2-pyrrolidone (NMP). Morphology and structure of the resulting PAI-nanocomposite films 4a and 4b with 10 and 20 mass% silicate particles respectively, were characterized by FT-IR spectroscopy, X-ray diffraction (XRD) and scanning electron microscopy (SEM). The properties of nanocomposites films were investigated by using Uv-vis spectroscopy, thermogravimetric analysis (TGA) and water uptake measurements.

  1. CYTOCHROME P450 REGULATION: THE INTERPLAY BETWEEN ITS HEME AND APOPROTEIN MOIETIES IN SYNTHESIS, ASSEMBLY, REPAIR AND DISPOSAL123

    PubMed Central

    Correia, Maria Almira; Sinclair, Peter R.; De Matteis, Francesco

    2011-01-01

    Heme is vital to our aerobic universe. Heme cellular content is finely tuned through an exquisite control of synthesis and degradation. Heme deficiency is deleterious to cells, whereas excess heme is toxic. Most of the cellular heme serves as the prosthetic moiety of functionally diverse hemoproteins, including cytochromes P450 (P450s). In the liver, P450s are its major consumers with >50% of hepatic heme committed to their synthesis. Prosthetic heme is the sine qua non of P450 catalytic biotransformation of both endo- and xenobiotics. This well-recognized functional role notwithstanding, heme also regulates P450 protein synthesis, assembly, repair and disposal. These less well-appreciated aspects are reviewed herein. PMID:20860521

  2. Synthesis and antioxidant activity of some 1-aryl/aralkyl piperazine derivatives with xanthine moiety at N4

    PubMed Central

    Andonova, Lily; Zheleva-Dimitrova, Dimitrina; Georgieva, Maya; Zlatkov, Alexander

    2014-01-01

    Piperazine nucleus is one of the most important heterocyclic systems exhibiting remarkable pharmacological activities. Thus, in the current study six new aryl/aralkyl substituted piperazine derivatives, containing methylxanthine moiety were synthesized and their structures were confirmed by IR and 1H NMR analysis. All compounds were in vitro screened for their activity as antioxidants using DPPH (2,2′-Diphenyl-1-picrylhydrazyl), ABTS (2,2′-azinobis-(3-ethylbenzo thiazine-6-sulfonic acid)) and FRAP (ferric reducing/antioxidant power) methods. The antioxidant activity of the studied compounds against lipid peroxidation was also measured. The highest antioxidant activity was demonstrated by compound 3c. It is obvious that the presence of a hydroxyl group in the structure is essential for the antioxidant properties and should be taken into consideration in further design of structures with potential antioxidant properties. PMID:26019603

  3. Influence of moieties for the phase stability, spontaneous polarization and dielectric relaxations in an achiral ferroelectric bent liquid crystal, PBUOB

    NASA Astrophysics Data System (ADS)

    Chalapathi, P. V.; Srinivasulu, M.; Pisipati, V. G. K. M.; Satyanarayana, Ch.; Potukuchi, D. M.

    2011-05-01

    The occurrence of ferroelelectric phases and influence of chemical moieties in the area of supra-molecular achiral Bent core Liquid Crystals (BLCs) are reviewed. Synthesis of an intermediate/higher homolog of PBnOB series (for n=11), PBUOB, viz. 1,3-Phenyline-Bis(4-UndecylOxy Benzoate), is presented. Smectic LC phases exhibited by PBUOB are characterized by Polarized Optical Microscopy (POM), Differential Scanning Calorimetry (DSC) and Spontaneous Polarization ( PS) techniques. Observations infer a bi-variant FE LC smectic phase occurrence, viz., isotropic→B 2(FE)→B 5(FE)→solid phases in cooling and solid→B 5→isotropic phases in heating scans. Occurrence of B 2 phase is monotropic (in cooling), while B 5 phase is enantiotropic. I-B 2 and B 2-B 5 phase transitions are found to be of first order nature. The FE phases possess a moderate PS value of ∼40 nC cm -2. Transition temperatures from dielectric studies agree with those from TM and DSC. Two modes of relaxations are observed, viz., a slow scissor mode at ∼1 kHz and a fast mode at ∼1 MHz. Anisotropic Dipolar Model is proposed to explain the reorientation mechanism. Arrhenius shifts of Relaxation Frequency ( fR) show differing activation energies for two modes, i.e., 0.11 and 0.98 eV; 0.25 and 1.18 eV in B 2 and B 5 phases, respectively. Temperature variation of dielectric increment Δ ε and α-parameter LC phases reveals the relative fixture of dipole moment in polar smectic layers. An analytical study for the thermal stability, PS and fR in the FE phases is presented with respect to the constitution and configuration of moieties in BLCs.

  4. Formation and Attachment of the Deoxysugar Moiety and Assembly of the Gene Cluster for Caprazamycin Biosynthesis▿ †

    PubMed Central

    Kaysser, Leonard; Wemakor, Emmanuel; Siebenberg, Stefanie; Salas, Jose A.; Sohng, Jae Kyung; Kammerer, Bernd; Gust, Bertolt

    2010-01-01

    Caprazamycins are antimycobacterials produced by Streptomyces sp. MK730-62F2. Previously, cosmid cpzLK09 was shown to direct the biosynthesis of caprazamycin aglycones, but not of intact caprazamycins. Sequence analysis of cpzLK09 identified 23 genes involved in the formation of the caprazamycin aglycones and the transfer and methylation of the sugar moiety, together with genes for resistance, transport, and regulation. In this study, coexpression of cpzLK09 in Streptomyces coelicolor M512 with pRHAM, containing all the required genes for dTDP-l-rhamnose biosynthesis, led to the production of intact caprazamycins. In vitro studies showed that Cpz31 is responsible for the attachment of the l-rhamnose to the caprazamycin aglycones, generating a rare acylated deoxyhexose. An l-rhamnose gene cluster was identified elsewhere on the Streptomyces sp. MK730-62F2 genome, and its involvement in caprazamycin formation was demonstrated by insertional inactivation of cpzDIII. The l-rhamnose subcluster was assembled with cpzLK09 using Red/ET-mediated recombination. Heterologous expression of the resulting cosmid, cpzEW07, led to the production of caprazamycins, demonstrating that both sets of genes are required for caprazamycin biosynthesis. Knockouts of cpzDI and cpzDV in the l-rhamnose subcluster confirmed that four genes, cpzDII, cpzDIII, cpzDIV, and cpzDVI, are sufficient for the biosynthesis of the deoxysugar moiety. The presented recombineering strategy may provide a useful tool for the assembly of biosynthetic building blocks for heterologous production of microbial compounds. PMID:20418426

  5. Design, synthesis, broad-spectrum antiproliferative activity, and kinase inhibitory effect of triarylpyrazole derivatives possessing arylamides or arylureas moieties.

    PubMed

    Gamal El-Din, Mahmoud M; El-Gamal, Mohammed I; Abdel-Maksoud, Mohammed S; Yoo, Kyung Ho; Oh, Chang-Hyun

    2016-08-25

    A novel series of 1,3,4-triarylpyrazole derivatives possessing terminal arylamide or arylurea terminal moieties has been designed and synthesized. Their in vitro antiproliferative activities were investigated against a panel of 58 cell lines of nine different cancer types at the NCI, USA. The urea analogues 2b, 2c, and 2f as well as the amide derivatives 3e and 3f exerted the highest mean % inhibition values over the 58 cell line panel at 10 μM, and thus were further tested in 5-dose testing mode to determine their GI50, TGI, and LC50 values. The above mentioned compounds have shown stronger antiproliferative activities in terms of potency and efficacy upon comparing their results with Sorafenib as a reference compound. Among them, compounds 2c and 2f possessing 3,4-dichlorophenylurea terminal moiety showed the highest mean %inhibition value of about 99.85 and 104.15% respectively over the 58-cell line panel at 10 μM concentration. Also compounds 2b, 3e, and 3f exhibited mean % inhibition over 80% at 10 μM concentration. The GI50 value of compound 3e over K-562 cancer cell line was 0.75 μM. Accordingly, compound 2f was screened over seven kinases at a single-dose concentration of 10 μM to profile its kinase inhibitory activity. Interestingly, the compound showed highly inhibitory activities (90.44% and 87.71%) against BRAF (V600E) and RAF1 kinases, respectively. Its IC50 value against BRAF (V600E) was 0.77 μM. Compounds 2b, 2c, 2f, 3e, and 3f exerted high selectivity towards cancer cell lines than L132 normal lung cells. PMID:27155467

  6. The (1->6)-β-glucan moiety represents a cross-reactive epitope of infection-induced malignancy surveillance.

    PubMed

    Dong, Hongliang; Dai, Hui; Hu, Xiaomin; Xiong, Si-Dong; Gao, Xiao-Ming

    2014-02-01

    Exposure to pathogen-associated molecular patterns (PAMPs) by vaccination or infection is known to have beneficial effects on neoplastic diseases, although the underlying molecular mechanisms are so far unclear. In this article, we report that Abs against (1→6)-β-d-glucan, a typical microbial PAMP and a major target for high titer circulating natural Abs in healthy human subjects, cross-recognize a novel tumor-associated carbohydrate Ag on cancer cells. The (1→6)-β-glucan cross-reactive moiety is immunologically dominant in tumor cells, as C57BL/6 mice harboring EL-4 solid tumors produced anti-(1→6)-β-glucan Abs and the titer of which significantly correlated with enhanced survival and smaller tumor burden. Moreover, the (1→6)-β-glucan-specific Abs exhibited potent tumoricidal activities in vitro. C57BL/6 mice immunized with Candida albicans produced protective immunity against inoculated EL-4 tumors, which was attributed to the formation of (1→6)-β-glucan-specific Abs. Importantly, (1→6)-β-glucan-specific Abs significantly prolonged the survival and reduced the tumor size in mice inoculated with EL-4 tumors. Our results demonstrate that the (1→6)-β-glucan cross-reactive moiety represents a focal point between infection immunity and cancer surveillance, and natural Abs against this epitope may contribute to the first-line antitumor surveillance in humans. Our data also provide important explanation for the long-observed relationship between feverish infection and concurrent remission from cancer. PMID:24391208

  7. In vivo characterization of NcsB3 to establish the complete biosynthesis of the naphthoic acid moiety of the neocarzinostatin chromophore.

    PubMed

    Hang, Vu Thi Thu; Oh, Tae Jin; Yamaguchi, Tokutaro; Sohng, Jae Kyung

    2010-10-01

    Neocarzinostatin (NCS) is an enediyne antibiotic produced by Streptomyces carzinostaticus. The NCS chromophore consists of an enediyne core, a sugar moiety, and a naphthoic acid (NA) moiety. The latter plays a key role in binding the NCS chromophore to its apoprotein to protect and stabilize the bioactive NCS chromophore. In this study, we expressed three genes: ncsB (naphthoic acid synthase), ncsB3 (P450 hydroxylase), and ncsB1 (O-methyltransferase), in Streptomyces lividans TK24. The three genes were sufficient to produce 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid. Production was analyzed and confirmed by LC-MS and nuclear magnetic resonance. Here, we report the functional characterization of ncsB3 and thereby elucidate the complete biosynthetic pathway of NA moiety of the NCS chromophore. PMID:20735485

  8. 1977 Bibliography of Technical Writing.

    ERIC Educational Resources Information Center

    Bankston, Dorothy; And Others

    1978-01-01

    Lists bibliographies, books, reviews, and articles on technical writing; categorizes articles according to a number of topics, including pedagogy, technical style, writing abstracts and precis, writing proposals, graphic/visual aids, and the technical writing profession. (MAI)

  9. Signal Transduction by BvgS Sensor Kinase: BINDING OF MODULATOR NICOTINATE AFFECTS THE CONFORMATION AND DYNAMICS OF THE ENTIRE PERIPLASMIC MOIETY.

    PubMed

    Dupré, Elian; Lesne, Elodie; Guérin, Jérémy; Lensink, Marc F; Verger, Alexis; de Ruyck, Jérôme; Brysbaert, Guillaume; Vezin, Hervé; Locht, Camille; Antoine, Rudy; Jacob-Dubuisson, Françoise

    2015-09-18

    The two-component sensory transduction system BvgAS controls the virulence regulon of the whooping-cough agent Bordetella pertussis. The periplasmic moiety of the homodimeric sensor kinase BvgS is composed of four bilobed Venus flytrap (VFT) perception domains followed by α helices that extend into the cytoplasmic membrane. In the virulent phase, the default state of B. pertussis, the cytoplasmic enzymatic moiety of BvgS acts as kinase by autophosphorylating and transferring the phosphoryl group to the response regulator BvgA. Under laboratory conditions, BvgS shifts to phosphatase activity in response to modulators, notably nicotinate ions. Here we characterized the effects of nicotinate and related modulators on the BvgS periplasmic moiety by using site-directed mutagenesis and in silico and biophysical approaches. Modulators bind with low affinity to BvgS in the VFT2 cavity. Electron paramagnetic resonance shows that their binding globally affects the conformation and dynamics of the periplasmic moiety. Specific amino acid substitutions designed to slacken interactions within and between the VFT lobes prevent BvgS from responding to nicotinate, showing that BvgS shifts from kinase to phosphatase activity in response to this modulator via a tense transition state that involves a large periplasmic structural block. We propose that this transition enables the transmembrane helices to adopt a distinct conformation that sets the cytoplasmic enzymatic moiety in the phosphatase mode. The bona fide, in vivo VFT ligands that remain to be identified are likely to trigger similar effects on the transmembrane and cytoplasmic moieties. This mechanism may be relevant to the other VFT-containing sensor kinases homologous to BvgS. PMID:26203186

  10. DEPLETED URANIUM TECHNICAL WORK

    EPA Science Inventory

    The Depleted Uranium Technical Work is designed to convey available information and knowledge about depleted uranium to EPA Remedial Project Managers, On-Scene Coordinators, contractors, and other Agency managers involved with the remediation of sites contaminated with this mater...

  11. OSH technical reference manual

    SciTech Connect

    Not Available

    1993-11-01

    In an evaluation of the Department of Energy (DOE) Occupational Safety and Health programs for government-owned contractor-operated (GOCO) activities, the Department of Labor`s Occupational Safety and Health Administration (OSHA) recommended a technical information exchange program. The intent was to share written safety and health programs, plans, training manuals, and materials within the entire DOE community. The OSH Technical Reference (OTR) helps support the secretary`s response to the OSHA finding by providing a one-stop resource and referral for technical information that relates to safe operations and practice. It also serves as a technical information exchange tool to reference DOE-wide materials pertinent to specific safety topics and, with some modification, as a training aid. The OTR bridges the gap between general safety documents and very specific requirements documents. It is tailored to the DOE community and incorporates DOE field experience.

  12. NASA Technical Standards Program

    NASA Technical Reports Server (NTRS)

    Gill, Paul S.; Vaughan, WIlliam W.

    2003-01-01

    The NASA Technical Standards Program was officially established in 1997 as result of a directive issued by the Administrator. It is responsible for Agency wide technical standards development, adoption (endorsement), and conversion of Center-unique standards for Agency wide use. One major element of the Program is the review of NSA technical standards products and replacement with non-Government Voluntary Consensus Standards in accordance with directions issued by the Office of Management and Budget. As part of the Program s function, it developed a NASA Integrated Technical Standards Initiative that consists of and Agency wide full-text system, standards update notification system, and lessons learned - standards integration system. The Program maintains a "one stop-shop" Website for technical standards ad related information on aerospace materials, etc. This paper provides information on the development, current status, and plans for the NAS Technical Standards Program along with metrics on the utility of the products provided to both users within the nasa.gov Domain and the Public Domain.

  13. NASA Technical Standards Program

    NASA Technical Reports Server (NTRS)

    Gill, Paul S.; Vaughan, William W.; Parker, Nelson C. (Technical Monitor)

    2002-01-01

    The NASA Technical Standards Program was officially established in 1997 as result of a directive issued by the Administrator. It is responsible for Agency wide technical standards development, adoption (endorsement), and conversion of Center-unique standards for Agency wide use. One major element of the Program is the review of NSA technical standards products and replacement with non-Government Voluntary Consensus Standards in accordance with directions issued by the Office of Management and Budget. As part of the Program's function, it developed a NASA Integrated Technical Standards Initiative that consists of and Agency wide full-text system, standards update notification system, and lessons learned-standards integration system. The Program maintains a 'one stop-shop' Website for technical standards ad related information on aerospace materials, etc. This paper provides information on the development, current status, and plans for the NAS Technical Standards Program along with metrics on the utility of the products provided to both users within the nasa.gov Domain and the Public Domain.

  14. Me2(CH2Cl)SiCN: Bifunctional Cyanating Reagent for the Synthesis of Tertiary Alcohols with a Chloromethyl Ketone Moiety via Ketone Cyanosilylation.

    PubMed

    Zeng, Xing-Ping; Zhou, Jian

    2016-07-20

    We report a novel bifunctional cyanating reagent, Me2(CH2Cl)SiCN, which paves the way to a one-pot sequential synthesis of tertiary alcohols featuring a chloromethyl ketone moiety via enantioselective ketone cyanosilylation. This method contributes to gram-scale enantioselective total synthesis of the aggregation pheromone of the Colorado potato beetle, (S)-CPB. PMID:27399262

  15. A New Metabolite with a unique 4-pyranone-ylactam-1,4-thiazine moiety from a Hawaiian-plant associated fungus

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An endophytic fungus Paraphaeosphaeria neglecta FT462 isolated from the Hawaiian-plant Lycopodiella cernua (L.) Pic. Serm produced one unusual compound (1, paraphaeosphaeride A) with the 4-pyranone-'-lactam-1,4-thiazine moiety, along with two new compounds (2 and 3, paraphaeosphaerides B and C, resp...

  16. Structure-activity relationship study of 4-substituted piperidines at Leu26 moiety of novel p53-hDM2 inhibitors.

    PubMed

    Tian, Yuan; Ma, Yao; Gibeau, Craig R; Lahue, Brian R; Shipps, Gerald W; Strickland, Corey; Bogen, Stéphane L

    2016-06-01

    Led by the structural information of the screening hit with mDM2 protein, a structure modification of Leu26 moiety of the novel p53-hDM2 inhibitors was conducted. A structure-activity relationship study of 4-substituted piperidines revealed compound 20t with good potencies and excellent CYP450 profiles. PMID:27080185

  17. Arginine 485 of human serum albumin interacts with the benzophenone moiety of ketoprofen in the binding pocket of subdomain III A and III B.

    PubMed

    Kaneko, K; Chuang, V T G; Ito, T; Suenaga, A; Watanabe, H; Maruyama, T; Otagiri, M

    2012-05-01

    Arylpropionic acid nonsteroidal anti-inflammatory drusg (NSAIDs) primarily bind to subdomain III A (site II) of human serum albumin (HSA). Ketoprofen (KP), an arylpropionic acid that contains a photoreactive benzophenone moiety, was used to photolabel the binding region of site II. LC/Q-TOF mass spectrometry determination revealed that R485 was the amino acid residue that formed covalent adduct with the benzophenone moiety of KP. Point mutation of arginine 485 to alanine showed a slight decrease in the overall binding percentage of KP when compared to that of native HSA. The induced circular dichroism spectral data of KP with both R485A and native albumin confirmed the photolabeling findings. Interestingly, an increase in the extent of [14C]KP covalent adduct formation with the 11.6 kDa peptide derived from subdomain IIB-IIIA was observed for R485A. In contrast, mutation of arginine 410 caused a significant reduction of binding percentage, confirming the importance of this residue in high affinity binding of arylpropionic acid derivatives. This may indicate that while KP's carboxylate interacts electrostatically with arginine 410, the benzophenone moiety may have swung away from helix 6 in the absence of arginine 485. In this study, photolabeling of native and mutants albumins, R485A and R410C with [14C]KP confirmed that R485 involved in the non-electrostatic interaction with the benzophenone moiety of KP, but not vital to hold KP in the binding pocket of subdomain IIIA. PMID:22764574

  18. 1980 Bibliography of Technical Writing.

    ERIC Educational Resources Information Center

    Book, Virginia Alm; And Others

    1981-01-01

    Offers resources on technical writing that were published in 1980. Arranges the citations under 12 categories: bibliographies, books, reviews, and articles on theory and philosophy; pedagogy; writing technical articles and reports; research; technical writing and the computer; graphic/visual aids; correspondence; technical speech; and designing…

  19. Technical Assistance to Developers

    SciTech Connect

    Rockward, Tommy; Borup, Rodney L.; Garzon, Fernando H.; Mukundan, Rangachary; Spernjak, Dusan

    2012-07-17

    This task supports the allowance of technical assistance to fuel-cell component and system developers as directed by the DOE. This task includes testing of novel materials and participation in the further development and validation of single cell test protocols. This task also covers technical assistance to DOE Working Groups, the U.S. Council for Automotive Research (USCAR) and the USCAR/DOE Driving Research and Innovation for Vehicle efficiency and Energy sustainability (U.S. Drive) Fuel Cell Technology Team. Assistance includes technical validation of new fuel cell materials and methods, single cell fuel cell testing to support the development of targets and test protocols, and regular advisory participation in other working groups and reviews. This assistance is made available to PEM fuel cell developers by request and DOE Approval. The objectives are to: (1) Support technically, as directed by DOE, fuel cell component and system developers; (2) Assess fuel cell materials and components and give feedback to developers; (3) Assist the DOE Durability Working Group with the development of various new material durability Testing protocols; and (4) Provide support to the U.S. Council for Automotive Research (USCAR) and the USCAR/DOE Fuel Cell Technology Team. FY2012 specific technical objectives are: (1) Evaluate novel MPL materials; (2) Develop of startup/ shutdown protocol; (3) Test the impact of hydrophobic treatment on graphite bi-polar plates; (4) Perform complete diagnostics on metal bi-polar plates for corrosion; and (5) Participate and lead efforts in the DOE Working Groups.

  20. Design, synthesis and biological evaluation of hetero-aromatic moieties substituted pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.

    PubMed

    Ji, Xun; Su, Mingbo; Wang, Jiang; Deng, Guanghui; Deng, Sisi; Li, Zeng; Tang, Chunlan; Li, Jingya; Li, Jia; Zhao, Linxiang; Jiang, Hualiang; Liu, Hong

    2014-03-21

    A series of novel hetero-aromatic moieties substituted α-amino pyrrole-2-carbonitrile derivatives was designed and synthesized based on structure-activity relationships (SARs) of pyrrole-2-carbonitrile inhibitors. All compounds demonstrated good dipeptidyl peptidase IV (DPP4) inhibitory activities (IC50 = 0.004-113.6 μM). Moreover, compounds 6h (IC50 = 0.004 μM) and 6n (IC50 = 0.01 μM) showed excellent inhibitory activities against DPP4, good selectivity (compound 6h, selective ratio: DPP8/DPP4 = 450.0; DPP9/DPP4 = 375.0; compound 6n, selective ratio: DPP8/DPP4 = 470.0; DPP9/DPP4 = 750.0) and good efficacy in an oral glucose tolerance test in ICR mice. Furthermore, compounds 6h and 6n demonstrated moderate PK properties (compound 6h, F% = 37.8%, t1/2 = 1.45 h; compound 6n, F% = 16.8%, t1/2 = 3.64 h). PMID:24531224

  1. Dimerization of 30Kc19 protein in the presence of amphiphilic moiety and importance of Cys-57 during cell penetration.

    PubMed

    Park, Hee Ho; Sohn, Youngsoo; Yeo, Ji Woo; Park, Ju Hyun; Lee, Hong Jai; Ryu, Jina; Rhee, Won Jong; Park, Tai Hyun

    2014-12-01

    Recently, the recombinant 30Kc19 protein, originating from silkworm hemolymph of Bombyx mori has attracted attention due to its cell-penetrating property and potential application as a protein delivery system. However, this observation of penetration across cell membrane has raised questions concerning the interaction of the protein-lipid bilayer. Here, we report a dimerization propensity of the 30Kc19 protein in the presence of amphiphilic moieties; sodium dodecyl sulfate (SDS) or phospholipid. Native PAGE showed that the 30Kc19 monomer formed a dimer when SDS or phospholipid was present. In the glutathione-S-transferase (GST) pull-down assay, supplementation of the 30Kc19 protein to mammalian cell culture medium showed dimerization and penetration; due to phospholipids at the cell membrane, the main components of the lipid bilayer. Mutagenesis was performed, and penetration was observed by 30Kc19 C76A and not 30Kc19 C57A, which meant that the presence of cysteine at position 57 (Cys-57) is involved in dimerization of the 30Kc19 at the cell membrane during penetration. We anticipate application of the native 30Kc19 protein with high cell-penetrating efficiency for delivery of cargos to various cell types. The intracellular cargo delivery using the 30Kc19 protein is a non-virus derived (e.g. TAT) delivery method, which can open up new approaches for the delivery of therapeutics in bioindustries, such as pharma- and cosmeceuticals. PMID:25143246

  2. Novel hydrazone moiety-bearing aminopyrimidines as selective inhibitors of epidermal growth factor receptor T790M mutant.

    PubMed

    Qin, Mingze; Wang, Tingting; Xu, Boxuan; Ma, Zonghui; Jiang, Nan; Xie, Hongbo; Gong, Ping; Zhao, Yanfang

    2015-11-01

    The epidermal growth factor receptor (EGFR) T790M mutant is found in approximately 50% of clinically acquired resistance to gefitinib among patients with non-small cell lung cancer (NSCLC). Here, a series of novel aminopyrimidines bearing a hydrazone moiety were identified as potent and selective EGFR inhibitors. Compounds 14a, 15g, and 15i potently inhibited all EGFR mutants including EGFR T790M/L858R, EGFR T790M/delE746_A750, and EGFR T790M while they showed weak effects on the wild type (WT) EGFR. In addition, these compounds effectively suppressed proliferation of gefitinib-resistant H1975 (EGFR T790M/L858R) cells but were less potent against A549 (WT EGFR and k-Ras mutation) and HT-29 (non-special gene type) cells, showing a high safety index. Therefore, 14a, 15g, and 15i might be promising candidates to overcome drug resistance mediated by the EGFR T790M mutant. PMID:26451770

  3. Design of α-S-Neoglycopeptides Derived from MUC1 with a Flexible and Solvent-Exposed Sugar Moiety.

    PubMed

    Rojas-Ocáriz, Víctor; Compañón, Ismael; Aydillo, Carlos; Castro-Loṕez, Jorge; Jiménez-Barbero, Jesús; Hurtado-Guerrero, Ramón; Avenoza, Alberto; Zurbano, María M; Peregrina, Jesús M; Busto, Jesús H; Corzana, Francisco

    2016-07-15

    The use of vaccines based on MUC1 glycopeptides is a promising approach to treat cancer. We present herein several sulfa-Tn antigens incorporated in MUC1 sequences that possess a variable linker between the carbohydrate (GalNAc) and the peptide backbone. The main conformations of these molecules in solution have been evaluated by combining NMR experiments and molecular dynamics simulations. The linker plays a key role in the modulation of the conformation of these compounds at different levels, blocking a direct contact between the sugar moiety and the backbone, promoting a helix-like conformation for the glycosylated residue and favoring the proper presentation of the sugar unit for molecular recognition events. The feasibility of these novel compounds as mimics of MUC1 antigens has been validated by the X-ray diffraction structure of one of these unnatural derivatives complexed to an anti-MUC1 monoclonal antibody. These features, together with potential lack of immune suppression, render these unnatural glycopeptides promising candidates for designing alternative therapeutic vaccines against cancer. PMID:27305427

  4. Mycobacterial Lipid II Is Composed of a Complex Mixture of Modified Muramyl and Peptide Moieties Linked to Decaprenyl Phosphate†

    PubMed Central

    Mahapatra, Sebabrata; Yagi, Tetsuya; Belisle, John T.; Espinosa, Benjamin J.; Hill, Preston J.; McNeil, Michael R.; Brennan, Patrick J.; Crick, Dean C.

    2005-01-01

    Structural analysis of compounds identified as lipid I and II from Mycobacterium smegmatis demonstrated that the lipid moiety is decaprenyl phosphate; thus, M. smegmatis is the first bacterium reported to utilize a prenyl phosphate other than undecaprenyl phosphate as the lipid carrier involved in peptidoglycan synthesis. In addition, mass spectrometry showed that the muropeptides from lipid I are predominantly N-acetylmuramyl-l-alanine-d-glutamate-meso-diaminopimelic acid-d-alanyl-d-alanine, whereas those isolated from lipid II form an unexpectedly complex mixture in which the muramyl residue and the pentapeptide are modified singly and in combination. The muramyl residue is present as N-acetylmuramic acid, N-glycolylmuramic acid, and muramic acid. The carboxylic functions of the peptide side-chains of lipid II showed three types of modification, with the dominant one being amidation. The preferred site for amidation is the free carboxyl group of the meso-diaminopimelic acid residue. Diamidated species were also observed. The carboxylic function of the terminal d-alanine of some molecules is methylated, as are all three carboxylic acid functions of other molecules. This study represents the first structural analysis of mycobacterial lipid I and II and the first report of extensive modifications of these molecules. The observation that lipid I was unmodified strongly suggests that the lipid II intermediates of M. smegmatis are substrates for a variety of enzymes that introduce modifications to the sugar and amino acid residues prior to the synthesis of peptidoglycan. PMID:15805521

  5. Fluorescence sensors for monosaccharides based on the 6-methylquinolinium nucleus and boronic acid moiety: potential application to ophthalmic diagnostics

    PubMed Central

    Badugu, Ramachandram; Lakowicz, Joseph R.; Geddes, Chris D.

    2016-01-01

    Continuous monitoring of glucose levels in human physiology is important for the long-term management of diabetes. New signaling methods/probes may provide an improved technology to monitor glucose and other physiologically important analytes. The glucose sensing probes, BMQBAs, fabricated using the 6-methylquinolinium moiety as a fluorescent indicator, and boronic acid as a chelating group, may have versatile applications in glucose sensing because of their unique properties. In this paper we discuss the design logic, synthesis, characterization and spectral properties of three new isomeric glucose sensors (BMQBAs), and a control compound (BMQ) in the presence and absence of sugars. The sensing ability of the new probes is based on a charge neutralization and stabilization mechanism upon sugar binding. The new probes have attractive fluorescence quantum yields, are highly water-soluble, and have spectral characteristics compatible with cheap and portable LEDs and LDs. One of the probes, o-BMQBA, has a sugar bound pKa of 6.1, and a dissociation constant KD of 100 mM glucose. These probes have been designed specifically to respond to tear glucose in a contact lens polymer for ophthalmic glucose monitoring, where the reduced sugar bound pKa affords for sensing, in a lens environment that we have previously shown to be mildly acidic. PMID:18969865

  6. Fluorescent sulfonamide carbonic anhydrase inhibitors incorporating 1,2,3-triazole moieties: Kinetic and X-ray crystallographic studies.

    PubMed

    Carta, Fabrizio; Ferraroni, Marta; Scozzafava, Andrea; Supuran, Claudiu T

    2016-01-15

    Fluorescent sulfonamide carbonic anhydrase (CA, EC 4.2.1.1) inhibitors (CAIs) were essential for demonstrating the role played by the tumor-associated isoform CA IX in acidification of tumors, cancer progression towards metastasis and for the development of imaging and therapeutic strategies for the management of hypoxic tumors which overexpress CA IX. However, the presently available such compounds are poorly water soluble which limits their use. Here we report new fluorescent sulfonamides 7, 8 and 10 with increased water solubility. The new derivatives showed poor hCA I inhibitory properties, but were effective inhibitors against the hCA II (KIs of 366-127 nM), CA IX (KIs of 8.1-36.9 nM), CA XII (KIs of 4.1-20.5 nM) and CA XIV (KIs of 12.8-53.6 nM). A high resolution X-ray crystal structure of one of these compounds bound to hCA II revealed the factors associated with the good inhibitory properties. Furthermore, this compound showed a three-fold increase of water solubility compared to a similar derivative devoid of the triazole moiety, making it an interesting candidate for ex vivo/in vivo studies. PMID:26682703

  7. Structural characterization of the N-glycan moiety and site of glycosylation in vitellogenin from the decapod crustacean Cherax quadricarinatus.

    PubMed

    Khalaila, Isam; Peter-Katalinic, Jasna; Tsang, Clarence; Radcliffe, Catherine M; Aflalo, Eliahu D; Harvey, David J; Dwek, Raymond A; Rudd, Pauline M; Sagi, Amir

    2004-09-01

    Glycosylation is of importance for the structure and function of proteins. In the case of vitellin (Vt), a ubiquitous protein accumulated into granules as the main yolk protein constituent of oocytes during oogenesis, glycosylation could be of importantance for the folding, processing and transport of the protein to the yolk and also provides a source of carbohydrate during embryogenesis. Vt from the crayfish Cherax quadricarinatus is synthesized as a precursor protein, vitellogenin (Vg), in the hepatopancreas, transferred to the hemolymph, and mobilized into the growing oocyte via receptor-mediated endocytosis. The gene sequence of C. quadricarinatus shows a 2584-amino-acid protein with 10 putative glycosylation sites. In this study a combined approach of lectin immunoblotting, in-gel deglycosylation, and mass spectrometry was used to identify the glycosylation sites and probe the structure of the glycan moieties using C. quadricarinatus Vg as a model system. Three of the consensus sites for N-glycosylation-namely, Asn(152), Asn(160) and Asn(2493)-were glycosylated with the high-mannose glycans, Man(5-9)GlcNAc(2), and the glucose-capped oligosaccharide Glc(1)Man(9)GlcNAc(2). PMID:15175255

  8. Synthesis and Antimicrobial Evaluation of Some Novel Thiazole, Pyridone, Pyrazole, Chromene, Hydrazone Derivatives Bearing a Biologically Active Sulfonamide Moiety

    PubMed Central

    Darwish, Elham S.; Abdel Fattah, Azza M.; Attaby, Fawzy A.; Al-Shayea, Oqba N.

    2014-01-01

    This study aimed for the synthesis of new heterocyclic compounds incorporating sulfamoyl moiety suitable for use as antimicrobial agents via a versatile, readily accessible N-[4-(aminosulfonyl)phenyl]-2-cyanoacetamide (3). The 2-pyridone derivatives were obtained via reaction of cyanoacetamide with acetylacetone or arylidenes malononitrile. Cycloaddition reaction of cyanoacetamide with salicyaldehyde furnished chromene derivatives. Diazotization of 3 with the desired diazonium chloride gave the hydrazone derivatives 13a–e. Also, the reactivity of the hydrazone towards hydrazine hydrate to give Pyrazole derivatives was studied. In addition, treatment of 3 with elemental sulfur and phenyl isothiocyanate or malononitrile furnished thiazole and thiophene derivatives respectively. Reaction of 3 with phenyl isothiocyanate and KOH in DMF afforded the intermediate salt 17 which reacted in situ with 3-(2-bromoacetyl)-2H-chromen-2-one and methyl iodide afforded the thiazole and ketene N,S-acetal derivatives respectively. Finally, reaction of 3 with carbon disulfide and 1,3-dibromopropane afforded the N-[4-(aminosulfonyl) phenyl]-2-cyano-2-(1,3-dithian-2-ylidene)acetamide product 22. All newly synthesized compounds were elucidated by considering the data of both elemental and spectral analysis. The compounds were evaluated for both their in vitro antibacterial and antifungal activities and showed promising results. PMID:24445259

  9. Photocatalytic Conversion of CO2 to CO using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties

    SciTech Connect

    Andrade, Gabriel; Pistner, Allen; Yapp, Glenn P. A.; Lutterman, Daniel A; Rosenthal, Joel

    2013-01-01

    Harnessing of solar energy to drive the reduction of carbon dioxide to fuels requires the development of efficient catalysts that absorb sunlight. In this work, we detail the synthesis, electrochemistry and photophysical properties of a set of homologous fac-ReI(CO)3 complexes containing either an ancillary phenyl (8) or BODIPY (12) substituent. These studies demonstrate that both the electronic properties of the rhenium center and BODIPY chromophore are maintained for these systems. Photolysis studies demonstrate that both assemblies 8 and 12 are competent catalysts for the photochemical reduction of CO2 to CO in DMF using triethanolamine (TEOA) as a sacrificial reductant. Both these systems display TOFs for photocatalytic CO production upon irradiation with light ( ex 400 nm) of ~5 hr 1 with TON values of approximately 20. Although structural and photophysical measurements demonstrate that electronic coupling between the BODIPY and fac-ReI(CO)3 units is limited for complex 12, this work clearly shows that the photoactive BODIPY moiety is tolerated during catalysis and does not interfere with the observed photochemistry. When taken together, these results provide a clear roadmap for the development of advanced rhenium bipyridine complexes bearing ancillary BODIPY groups for the efficient photocatalytic reduction of CO2 using visible light.

  10. Borrelia burgdorferi lipoprotein BmpA activates pro-inflammatory responses in human synovial cells through a protein moiety

    PubMed Central

    Yang, Xiuli; Izadi, Hooman; Coleman, Adam S.; Wang, Penghua; Ma, Yongsheng; Fikrig, Erol; Anguita, Juan; Pal, Utpal

    2008-01-01

    Borrelia burgdorferi invasion of mammalian joints results in genesis of Lyme arthritis. Other than spirochete lipids, existence of protein antigens, which are abundant in joints and participate in B. burgdorferi-induced host inflammatory response, is unknown. Here, we report that major products of the B. burgdorferi basic membrane protein (bmp) A/B operon that are induced in murine and human joints, possess inflammatory properties. Compared to the wild type B. burgdorferi, an isogenic bmpA/B mutant induced significantly lower levels of pro-inflammatory cytokines TNF-α and IL-1β in cultured human synovial cells, which could be restored using bmpA/B-complemented mutants, and more directly, upon addition of recombinant BmpA, but not BmpB or control spirochete proteins. Non-lipidated and lipidated versions of BmpA induced similar levels of cytokines, and remained unaffected by treatment with lipopolysaccharide inhibitor, polymyxin B. The bmpA/B mutant was also impaired in the induction of NF-κB and p38 MAP kinase signaling pathways in synovial cells, which were activated by non-lipidated BmpA. These results show that a protein moiety of BmpA can induce cytokine responses in synovial cells via activation of the NF-κB and p38 MAP kinase pathways and thus, could potentially contribute to the genesis of Lyme arthritis. PMID:18725314

  11. A study on the photopolymerization of acrylic monomers having fluorene moiety for the application of holographic data storage system.

    PubMed

    Jeon, Mina; Yoon, Sung Cheol; Lee, Jaemin; Han, Mijeong; Lee, Changjin

    2009-12-01

    We have prepared photopolymer compositions for holographic data storage system from aromatic diacrylate having fluorine moiety, a hybrid sol-gel, and photoinitiator. The fluorenyl diacrylate monomer was synthesized via nucleophilic substitution reaction of fluorene diphenol with an excess of 2-chloroethoxyethanol, followed by the reaction with acryloyl chloride. The physical and holographic properties of photopolymer were controlled by the ratio of precursor triethoxysilylpropyl polyethyleneglycol carbamate (TSPEG) in a hybrid sol-gel binder and the content of monomer. Also, we measured the photopolymerization rate and conversion of monomer by photo-differential scanning calorimeter (photo-DSC). Holographic recording was attempted by photopolymerization of the monomers in the photopolymer film using a 532 nm laser light in the presence of Irgacure 784 and holographic gratings were recorded into the photopolymer films by interfering two collimated plane wave beams. Contents of monomer and TSPEG were changed in the range of 0.25-1.0 equiv. and the composition were optimized in terms of diffraction efficiency. Finally, we obtained that efficient photopolymer films showed diffraction efficiency of 78% when 0.5 equiv. of TESPEG in sol-gel binder and 40% of compound 4 were added. PMID:19908697

  12. Novel Quinazoline Derivatives Bearing Various 4-Aniline Moieties as Potent EGFR Inhibitors with Enhanced Activity Against NSCLC Cell Lines.

    PubMed

    Wang, Changyan; Sun, Yajun; Zhu, Xingqi; Wu, Bin; Wang, Qiao; Zhen, Yuhong; Shu, Xiaohong; Liu, Kexin; Zhou, Youwen; Ma, Xiaodong

    2016-04-01

    A class of novel quinazoline derivatives bearing various C-4 aniline moieties was synthesized and biologically evaluated as potent epidermal growth factor receptor (EGFR) inhibitors for intervention of non-small-cell lung cancer (NSCLC). Most of these inhibitors are comparable to gefitinib in inhibiting these cancer cell lines, and several of them even displayed superior inhibitory activity. In particular, analogue 5b with an IC50 of 0.10 μm against the EGFR wild-type A431 cells and 5c with an IC50 of 0.001 μm against the gefitinib-sensitive HCC827 cells (EGFR del E746-A750) was identified as highly active EGFR inhibitors. It was also significant that the discovered analogue 2f, not only has high potency against the gefitinib-sensitive cells (IC50 = 0.031 μm), but also possesses remarkably improved activity against the gefitinib-resistant cells. In addition, the enzymatic assays and the Western blot analysis for evaluating the effects of the typical inhibitors indicated that these molecules strongly interfere with the EGFR target. PMID:26613384

  13. Preparation, spectral and biological investigation of formaldehyde-based ligand containing piperazine moiety and its various polymer metal complexes

    NASA Astrophysics Data System (ADS)

    Khan, Shamim Ahmad; Nishat, Nahid; Parveen, Shadma; Rasool, Raza

    2011-10-01

    A novel tetradentate salicylic acid-formaldehyde ligand containing piperazine moiety (SFP) was synthesized by condensation of salicylic acid, formaldehyde and piperazine in presence of base catalyst, which was subjected for the preparation of coordination polymers with metal ions like manganese(II), cobalt(II), copper(II), nickel(II) and zinc(II). All the synthesized polymeric compounds were characterized by elemental analysis, IR, 1H NMR and electronic spectral studies. The thermal stability was determined by thermogravimetric analysis and thermal data revealed that all the polymer metal complexes show good thermal stability than their parent ligand. Electronic spectral data and magnetic moment values revealed that polymer metal complexes of Mn(II), Co(II) and Ni(II) show an octahedral geometry while Cu(II) and Zn(II) show distorted octahedral and tetrahedral geometry respectively. The antimicrobial screening of the ligand and coordination polymers was done by using Agar well diffusion method against various bacteria and fungi. It was evident from the data that antibacterial and antifungal activity increased on chelation and all the polymer metal complexes show excellent antimicrobial activity than their parent ligand.

  14. Preparation, spectral and biological investigation of formaldehyde-based ligand containing piperazine moiety and its various polymer metal complexes.

    PubMed

    Khan, Shamim Ahmad; Nishat, Nahid; Parveen, Shadma; Rasool, Raza

    2011-10-15

    A novel tetradentate salicylic acid-formaldehyde ligand containing piperazine moiety (SFP) was synthesized by condensation of salicylic acid, formaldehyde and piperazine in presence of base catalyst, which was subjected for the preparation of coordination polymers with metal ions like manganese(II), cobalt(II), copper(II), nickel(II) and zinc(II). All the synthesized polymeric compounds were characterized by elemental analysis, IR, (1)H NMR and electronic spectral studies. The thermal stability was determined by thermogravimetric analysis and thermal data revealed that all the polymer metal complexes show good thermal stability than their parent ligand. Electronic spectral data and magnetic moment values revealed that polymer metal complexes of Mn(II), Co(II) and Ni(II) show an octahedral geometry while Cu(II) and Zn(II) show distorted octahedral and tetrahedral geometry respectively. The antimicrobial screening of the ligand and coordination polymers was done by using Agar well diffusion method against various bacteria and fungi. It was evident from the data that antibacterial and antifungal activity increased on chelation and all the polymer metal complexes show excellent antimicrobial activity than their parent ligand. PMID:21757398

  15. Photocatalytic Conversion of CO2 to CO using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties

    PubMed Central

    Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P.A.; Lutterman, Daniel A.; Rosenthal, Joel

    2013-01-01

    Harnessing of solar energy to drive the reduction of carbon dioxide to fuels requires the development of efficient catalysts that absorb sunlight. In this work, we detail the synthesis, electrochemistry and photophysical properties of a set of homologous fac-ReI(CO)3 complexes containing either an ancillary phenyl (8) or BODIPY (12) substituent. These studies demonstrate that both the electronic properties of the rhenium center and BODIPY chromophore are maintained for these complexes. Photolysis studies demonstrate that both assemblies 8 and 12 are competent catalysts for the photochemical reduction of CO2 to CO in DMF using triethanolamine (TEOA) as a sacrificial reductant. Both compounds 8 and 12 display TOFs for photocatalytic CO production upon irradiation with light (λex ≥ 400 nm) of ~5 hr−1 with TON values of approximately 20. Although structural and photophysical measurements demonstrate that electronic coupling between the BODIPY and fac-ReI(CO)3 units is limited for complex 12, this work clearly shows that the photoactive BODIPY moiety is tolerated during catalysis and does not interfere with the observed photochemistry. When taken together, these results provide a clear roadmap for the development of advanced rhenium bipyridine complexes bearing ancillary BODIPY groups for the efficient photocatalytic reduction of CO2 using visible light. PMID:24015374

  16. Studies on the carbohydrate moiety of α1-acid glycoprotein (orosomucoid) by using alkaline hydrolysis and deamination by nitrous acid

    PubMed Central

    Isemura, M.; Schmid, K.

    1971-01-01

    Alkaline hydrolysis followed by deamination with nitrous acid was applied for the first time to a glycoprotein, human plasma α1-acid glycoprotein (orosomucoid). This procedure, which specifically cleaves the glycosaminidic bonds, yielded well-defined oligosaccharides. The trisaccharides, which were obtained from the native protein, consisted of a sialic acid derivative, galactose and 2,5-anhydromannose. The linkage between galactose and 2,5-anhydromannose is most probably a (1→4)-glycosidic bond. A hitherto unknown linkage between N-acetylneuraminic acid and galactose was also established, namely a (2→2)-linkage. The three linkages between sialic acid and galactose described in this paper appear to be about equally resistant to mild acid hydrolysis. The disaccharide that was derived from the desialized glycoprotein consisted of galactose and 2,5-anhydromannose. Evidence was obtained for the presence of a new terminal sialyl→N-acetylglucosamine disaccharide accounting for approximately 1mol/mol of protein. The presence of this disaccharide may explain the relatively severe requirements for the complete acid hydrolysis of the sialyl residues. The present study indicates that alkaline hydrolysis followed by nitrous acid deamination in conjunction with gas–liquid chromatography will afford relatively rapid determination of the partial structure of the complex carbohydrate moiety of glycoproteins. PMID:5135244

  17. Design, synthesis and structure-activity relationships of novel 4-phenoxyquinoline derivatives containing pyridazinone moiety as potential antitumor agents.

    PubMed

    Zhou, Shunguang; Liao, Huimin; He, Chao; Dou, Yanan; Jiang, Mingyan; Ren, Lixiang; Zhao, Yanfang; Gong, Ping

    2014-08-18

    A series of novel 4-phenoxyquinoline derivatives containing pyridazinone moiety were synthesized and evaluated for their in vitro cytotoxic activity against five cancer cell lines (HT-29, H460, A549, MKN-45, and U87MG). Most of the compounds exhibited moderate-to-significant cytotoxicity and high selectivity against one or more cell lines. Compounds 15a, 20a, 15b, 15c, 20d, and 16e were further examined for their inhibitory activity against c-Met kinase. The most promising compound 15a (c-Met half-maximal inhibitory concentration [IC50] = 2.15 nM) showed remarkable cytotoxicity against HT-29, H460, and A549 cell lines with IC50 values of 0.10 μM, 0.13 μM, and 0.05 μM, respectively, and thus it was 1.5- to 2.3-fold more potent than foretinib. Their preliminary structure-activity relationships (SARs) studies indicate that electron-withdrawing groups on the terminal phenyl rings are beneficial for improving the antitumor activity. PMID:24996144

  18. Synthesis and Biological Activity Evaluation of Novel α-Amino Phosphonate Derivatives Containing a Pyrimidinyl Moiety as Potential Herbicidal Agents.

    PubMed

    Chen, Jin-Long; Tang, Wu; Che, Jian-Yi; Chen, Kai; Yan, Gang; Gu, Yu-Cheng; Shi, De-Qing

    2015-08-19

    To find novel high-activity and low-toxicity herbicide lead compounds with novel herbicidal mode of action, series of novel α-amino phosphonate derivatives containing a pyrimidinyl moiety, I, II, III, and IV, were designed and synthesized by Lewis acid (magnesium perchlorate) catalyzed Mannich-type reaction of aldehydes, amines, and phosphites. Their structures were clearly identified by spectroscopy data (IR, (1)H NMR, (31)P NMR, EI-MS) and elemental analyses. The bioassay [in vitro, in vivo (GH1 and GH2)] showed that most compounds I exhibited good herbicidal activities; for example, the activities of compounds Ib, Ic, Ig, Ii, Ik, and Im were as good as the positive control herbicides (acetochlor, atrazine, mesotrione, and glyphosate). However, their structural isomers II and III and analogues IV did not display any herbicidal activities in vivo, although some of them possessed selective inhibitory activity against Arabidopsis thaliana in vitro. Interestingly, it was found that compounds IVs, IVt, and IVl showed selective insecticidal activities against Aphis species or Plutella xylostella, respectively. Their preliminary herbicidal mode of action and structure-activity relationships were also studied. PMID:26222653

  19. Electric field tunable light emitting diodes containing europium β-diketonates with [2.2]paracyclophane moiety

    NASA Astrophysics Data System (ADS)

    Grykien, Remigiusz; Luszczynska, Beata; Glowacki, Ireneusz; Puntus, Lada; Pekareva, Irina; Lyssenko, Konstantin; Kajzar, François; Rau, Ileana; Lazar, Cosmina A.

    2016-07-01

    The synthesis and electroluminescent (EL) properties of two europium complexes with unsymmetrical β-diketonates and 1,10-phenanthroline are reported. The molecules are substituted by functional groups with different donor-acceptor properties and contain [2.2]paracyclophane moiety. They were used to fabricate the organic light emitting diodes (OLEDs). A large emission wavelength tunability by the applied electric field is observed for OLED containing europium β-diketonate substituted by phenyl group, with the maximum of luminance of 8 cd/m2. Such tunability disappears for OLED based on europium β-diketonate substituted by CH3 group, for which the luminance decreases to ca 2.5 cd/m2. Also in that case an emission band in UV disappears. The OLED stability is lower in the latter case too, showing the importance of the substitution on the OLED operation. It shows also a high potential for the electroluminescent properties control and improvement of these Eu based macromolecules through a simple β-diketonate ligand chemical structure modification.

  20. Synthesis, antimicrobial evaluation and molecular modeling of 5-hydroxyisoquinolinium salt series; the effect of the hydroxyl moiety.

    PubMed

    Soukup, Ondrej; Dolezal, Rafael; Malinak, David; Marek, Jan; Salajkova, Sarka; Pasdiorova, Marketa; Honegr, Jan; Korabecny, Jan; Nachtigal, Petr; Nachon, Florian; Jun, Daniel; Kuca, Kamil

    2016-02-15

    In the present paper, we describe the synthesis of a new group of 5-hydroxyisoquinolinium salts with different lengths of alkyl side-chain (C10-C18), and their chromatographic analysis and biological assay for in vitro activity against bacterial and fungal strains. We compare the lipophilicity and efficacy of hydroxylated isoquinolinium salts with the previously published (non-hydroxylated) isoquinolinium salts from the point of view of antibacterial and antifungal versatility and cytotoxic safety. Compound 11 (C18) had to be excluded from the testing due to its low solubility. Compounds 9 and 10 (C14, C16) showed only moderate efficacy against G+ bacteria, notably with excellent potency against Staphyloccocus aureus, but no effect against G- bacteria. In contrast, non-hydroxylated isoquinolinium salts showed excellent antimicrobial efficacy within the whole series, particularly 14 (C14) against G+ strains and 15 (C16) against fungi. The electronic properties and desolvation energies of 5-hydroxyisoquinolinium and isoquinolinium salts were studied by quantum-chemistry calculations employing B3LYP/6-311++G(d,p) method and an implicit water-solvent simulation model (SCRF). Despite the positive mesomeric effect of the hydroxyl moiety reducing the electron density of the quaternary nitrogen, it is probably the higher lipophilicity and lower desolvation energy of isoquinolinium salts, which is responsible for enhanced antimicrobial versatility and efficacy. PMID:26774252

  1. Syntheses of D-A-A Type Small Molecular Donor Materials Having Various Electron Accepting Moiety for Organic Photovoltaic Application.

    PubMed

    Kim, Nahyeon; Park, Sangman; Lee, Myong-Hoon; Lee, Jaemin; Lee, Changjin; Yoon, Sung Cheol

    2016-03-01

    Small molecular donor, DTDCTB achieved a high power conversion efficiency (PCE) value of 6.6 ± 0.2% in vacuum-deposited planar mixed heterojunction (PMHJ) structure. However, the same material just recorded PCE of 0.34% in solution processed small molecule based bulk heterjunction (BHJ) organic photovoltaic cells. For the improvement of organic photovoltaic cells (OPVs), In this study, we designed and synthesized several D-A-A (donor-acceptor-acceptor) type molecular electron donating materials. Ditolylaminothienyl moiety as an electron donating group connected to 1,2,5-benzothiadiazole as a conjugated electron accepting unit, simultaneously with an electron accepting terminal group such as cyano alkyl acetate and N-alkyl rhodanine. The thermal, photophysical, and electrochemical properties of prepared small molecules were investigated by DSC, UV/Vis spectroscopy and Cyclic Voltametry, respectively. As a result, 0.89% of PCE can be obtained from OPV using a mixture of DTATBTER and PCBM as an active layer with a Voc of 0.87 V, a Jsc of 3.20 mA/cm2, and a fill factor of 31.9%. PMID:27455734

  2. Structure and characterization of the glycan moiety of L-amino-acid oxidase from the Malayan pit viper Calloselasma rhodostoma.

    PubMed

    Geyer, A; Fitzpatrick, T B; Pawelek, P D; Kitzing, K; Vrielink, A; Ghisla, S; Macheroux, P

    2001-07-01

    Ophidian L-amino-acid oxidase (L-amino-acid oxygen:oxidoreductase, deaminating, EC 1.4.3.2) is found in the venom of many poisonous snakes (crotalids, elapids and viperids). This FAD-dependent glycoprotein has been studied from several snake species (e.g. Crotalus adamanteus, Crotalus atrox and Calloselasma rhodostoma) in detail with regard to the biochemical and enzymatic properties. The nature of glycosylation, however, as well as the chemical structure(s) of the attached oligosaccharide(s) are unknown. In view of the putative involvement of the glycan moiety in the biological effects of ophidian L-amino-acid oxidase, notably the apoptotic activity of the enzyme, structural knowledge is needed to evaluate its exact function. In this study we report on the glycosylation of L-amino-acid oxidase from the venom of the Malayan pit viper (Calloselasma rhodostoma). Its glycosylation is remarkably homogeneous with the major oligosaccharide accounting for approximately 90% of the total sugar content. Based on detailed analysis of the isolated oligosaccharide by 2D NMR spectroscopies and MALDI-TOF mass spectrometry the glycan is identified as a bis-sialylated, biantennary, core-fucosylated dodecasaccharide. The biological significance of this finding is discussed in light of the biological activities of the enzyme. PMID:11453999

  3. Model dendrons and dendrimers incorporating diphenylamino-substituted diphenylpolyene and PPV-oligomer moieties for NLO applications

    NASA Astrophysics Data System (ADS)

    Ashworth, Kimba; Spangler, Charles W.; Reeves, Benjamin

    1999-10-01

    Bis-(diphenylamino)diphenylpolyenes have been shown to form exceptionally stable, highly absorbing bipolaronic dications in solution and thin film. Replacement of one diphenylamino substituent with a N-(hydroxyethyl), N-ethylaminophenyl moiety yields a polyene series that also form stable bipolarons, and are intensely fluorescent. These new chromophores are also easily attached to either a PMMA backbone or to 3,5-dihydroxybenzyl alcohol to yield functionalized dendrons capable of attachment to various core molecules to yield functionalized dendrimers. Diphenylamino-substituted PPV oligomers can also be obtained with similar functionality. These new materials all possess large two-photon cross-sections and display optical limiting for nanosecond pulses with peak activity extending into the visible portion of the spectrum. In this presentation we will discuss the synthesis of these new materials and preliminary characterization as two-photon absorbers, photoluminescent materials suitable for organic light- emitting diodes, and as dendrimers capable of 3D charge delocalization and exceptionally large third order hyperpolarizabilities.

  4. Syntheses and properties of elastic copoly(ester-urethane)s containing a phospholipid moiety and the fabrication of nanosheets.

    PubMed

    Sirithep, Wariya; Morita, Kohei; Iwano, Atsushi; Komachi, Takuya; Okamura, Yosuke; Nagase, Yu

    2014-01-01

    In these years, we have investigated the syntheses of novel diamine and diol monomers containing phosphorylcholine (PC) group to obtain biocompatible polymers, the backbone components of which were thermally stable and mechanically strong. In this study, the preparations of elastic copoly(ester-urethane)s containing PC group and polycarbonate segment were carried out by polycondensation and polyaddition using a diol monomer containing PC group and polycarbonate diol. It was found that the obtained polymers exhibited the high-thermal stability up to 200 °C and the elasticity derived from the soft segment. The introduction of PC group was effective to improve the resistance to the adhesions of proteins and platelets on the polymer films, which was the result of surface properties derived from the PC moiety. In addition, we tried to prepare ultra-thin polymer films composed of copoly(ester-urethane)s, so-called nanosheets. As a result, the desired nanosheets were successfully fabricated and the obtained nanosheets exhibited the high adhesive strength, indicating that the nanosheets could conform closely to the desired surfaces due to their exquisite flexibility and low roughness. PMID:24954066

  5. Design, synthesis, and biological evaluation of new arylamide derivatives possessing sulfonate or sulfamate moieties as steroid sulfatase enzyme inhibitors.

    PubMed

    El-Gamal, Mohammed I; Semreen, Mohammad H; Foster, Paul A; Potter, Barry V L

    2016-06-15

    A series of new arylamide derivatives possessing terminal sulfonate or sulfamate moieties was designed and synthesized. The target compounds were tested for in vitro inhibitory effects against the steroid sulfatase (STS) enzyme in a cell-free assay system. The free sulfamate derivative 1j was the most active. It inhibited the enzymatic activity by 72.0% and 55.7% at 20μM and 10μM, respectively. Compound 1j was further tested for STS inhibition in JEG-3 placental carcinoma cells with high STS enzyme activity. It inhibited 93.9% of the enzyme activity in JEG-3 placental carcinoma cells at 20μM with an efficacy near to that of the well-established drug STX64 as reference. At 10μM, 1j inhibited 86.1% of the STS activity of JEG-3. Its IC50 value against the STS enzyme in JEG-3 cells was 0.421μM. Thus, 1j represents an attractive new non-steroidal lead for further optimization. PMID:27143133

  6. Dry pressing technical ceramics

    SciTech Connect

    Lewis, W.A. Jr.

    1996-04-01

    Dry pressing of technical ceramics is a fundamental method of producing high-quality ceramic components. The goals of dry pressing technical ceramics are uniform compact size and green density, consistent part-to-part green density and defect-free compact. Dry pressing is the axial compaction of loosely granulated dry ceramic powders (< 3% free moisture) within a die/punch arrangement. The powder, under pressure, conforms to the specific shape of the punch faces and die. Powder compaction occurs within a rigid-walled die and usually between a top and bottom punch. Press configurations include anvil, rotary, multiple-punch and multiple-action.

  7. KSC Technical Capabilities Website

    NASA Technical Reports Server (NTRS)

    Nufer, Brian; Bursian, Henry; Brown, Laurette L.

    2010-01-01

    This document is the website pages that review the technical capabilities that the Kennedy Space Center (KSC) has for partnership opportunities. The purpose of this information is to make prospective customers aware of the capabilities and provide an opportunity to form relationships with the experts at KSC. The technical capabilities fall into these areas: (1) Ground Operations and Processing Services, (2) Design and Analysis Solutions, (3) Command and Control Systems / Services, (4) Materials and Processes, (5) Research and Technology Development and (6) Laboratories, Shops and Test Facilities.

  8. Reagents for Astatination of Biomolecules. 3. Comparison of closo-Decaborate(2-) and closo-Dodecaborate(2-) Moieties as Reactive Groups for Labeling with Astatine-211

    PubMed Central

    Wilbur, D. Scott; Chyan, Ming-Kuan; Hamlin, Donald K.; Perry, Matthew A.

    2009-01-01

    In vivo deastatination has been a major problem in the development of reagents for therapeutic applications of the α-particle emitting radionuclide 211At. Our prior studies demonstrated that the use of a closo-decaborate(2-) ([closo-B10H9R]2−) moiety for 211At labeling of biomolecules provides conjugates that are stable to in vivo deastatination. In this investigation, the closo-decaborate(2-) moiety was compared with the structurally similar closo-dodecaborate(2-) ([closo-B12H11R]2−) to determine if one has more favorable properties than the other for use in pendant groups as 211At labeling molecules. To determine the differences, two sets of structurally identical molecules, with the exception that they contained either a closo-decaborate(2-) or a closo-dodecaborate(2-) moiety, were compared with regards to their synthesis, radiohalogenation, stability to in vivo deastatination and tissue distribution. Quite different rates of reaction were noted in the synthetic steps for the two closo-borate(2-) moieties, but ultimately the yields were similar, making these differences of little importance. Differences in radiohalogenation rates were also noted between the two closo-borate(2-) moieties, with the more electrophilic closo-decaborate(2-) reacting more rapidly. This resulted in somewhat higher yields of astatinated closo-decaborate(2-) derivatives (84% vs 53%), but both cage moieties gave good radioiodination yields (e.g. 79–96%). Importantly, both closo-borate(2-) cage moieties were shown to have high stability to in vivo deastatination. The largest differences between pairs of compounds containing the structurally similar boron cage moieties were in their in vivo tissue distributions. For example, [Et3NH]2B12H10I-CONHpropyl, [125I]2b had high concentrations in kidney (1h, 19.8 %ID/g; 4h, 26.5%ID/g), whereas [Et3NH]2B10H8I-CONHpropyl, [125I]1e had much lower concentrations in kidney (1h, 6.6%ID/g; 4h, 0.27%ID/g). Interestingly, when another salt of the

  9. Reagents for astatination of biomolecules. 3. Comparison of closo-decaborate(2-) and closo-dodecaborate(2-) moieties as reactive groups for labeling with astatine-211.

    PubMed

    Wilbur, D Scott; Chyan, Ming-Kuan; Hamlin, Donald K; Perry, Matthew A

    2009-03-18

    In vivo deastatination has been a major problem in the development of reagents for therapeutic applications of the alpha-particle emitting radionuclide (211)At. Our prior studies demonstrated that the use of a closo-decaborate(2-) ([closo-B(10)H(9)R](2-)) moiety for (211)At labeling of biomolecules provides conjugates that are stable to in vivo deastatination. In this investigation, the closo-decaborate(2-) moiety was compared with the structurally similar closo-dodecaborate(2-) ([closo-B(12)H(11)R](2-)) to determine if one has more favorable properties than the other for use in pendant groups as (211)At labeling molecules. To determine the differences, two sets of structurally identical molecules, with the exception that they contained either a closo-decaborate(2-) or a closo-dodecaborate(2-) moiety, were compared with regard to their synthesis, radiohalogenation, stability to in vivo deastatination and tissue distribution. Quite different rates of reaction were noted in the synthetic steps for the two closo-borate(2-) moieties, but ultimately the yields were similar, making these differences of little importance. Differences in radiohalogenation rates were also noted between the two closo-borate(2-) moieties, with the more electrophilic closo-decaborate(2-) reacting more rapidly. This resulted in somewhat higher yields of astatinated closo-decaborate(2-) derivatives (84% vs 53%), but both cage moieties gave good radioiodination yields (e.g., 79-96%). Importantly, both closo-borate(2-) cage moieties were shown to have high stability to in vivo deastatination. The largest differences between pairs of compounds containing the structurally similar boron cage moieties were in their in vivo tissue distributions. For example, [Et(3)NH](2)B(12)H(10)I-CONHpropyl, [(125)I]2b had high concentrations in kidney (1 h, 19.8%ID/g; 4 h, 26.5%ID/g), whereas [Et(3)NH](2)B(10)H(8)I-CONHpropyl, [(125)I]1e had much lower concentrations in kidney (1 h, 6.6%ID/g; 4 h, 0.27%ID

  10. Identifying Technical Vocabulary

    ERIC Educational Resources Information Center

    Chung, Teresa Mihwa; Nation, Paul

    2004-01-01

    This study compared four different approaches to identifying technical words in an anatomy text. The first approach used a four step rating scale, and was used as the comparison for evaluating the other three approaches. It had a high degree of reliability. The least successful approach was that using clues provided by the writer such as labels in…

  11. Forecasting Scientific - Technical Information.

    ERIC Educational Resources Information Center

    Vvedenskiy, T. A.; And Others

    This document contains three selections from the Russian-language journal "Nauchno-Teknicheskaya Informatsiya," Moscow. The first article is "Documentation for Technical Forecasts" by T. A. Vvedenskiy (Series 1, Number 11, 1969, submitted for publication 9 July 1968, p3-5). This article deals with the transformation of the method of scientific…

  12. PISA 2009 Technical Report

    ERIC Educational Resources Information Center

    OECD Publishing (NJ1), 2012

    2012-01-01

    The "PISA 2009 Technical Report" describes the methodology underlying the PISA 2009 survey. It examines additional features related to the implementation of the project at a level of detail that allows researchers to understand and replicate its analyses. The reader will find a wealth of information on the test and sample design, methodologies…

  13. ANTHRAX TECHNICAL ASSISTANCE DOCUMENT

    EPA Science Inventory

    The Anthrax TAD was developed as an Interim Draft Final technical resource in November 2003. It is specifically for response to an actual or suspected terrorist release of anthrax (i.e., it is not intended for response to anthrax in agricultural settings.). The TAD was provided ...

  14. EUDISED: Technical Studies, 1971.

    ERIC Educational Resources Information Center

    Council of Europe, Strasbourg (France). Documentation Center for Education in Europe.

    This collection of technical studies concerning the European Documentation and Information System for Education (EUDISED) presents the problems of educational information, documentation, and dissemination in Europe. In the first report, transmitter-receiver relationships and the understanding of each other's roles and needs are discussed. The…

  15. Special technical assistance

    SciTech Connect

    Alexander, D.J.; Nanstad, R.K.; Sokolov, M.A.

    1995-10-01

    The purpose of this task is to perform various special analytical and experimental investigations to support the NRC in resolving regulatory research issues related to irradiation effects on materials. This task currently addresses two major areas: (1) providing technical expertise and assistance in the review of national codes and standards and (2) experimental evaluations of test specimens and practices and material properties.

  16. Improved technical specifications

    SciTech Connect

    Hoffman, D.R.

    1994-12-31

    Improved technical specifications for nuclear power plants are outlined. The objectives of this work are to improve safety, provide a clearer understanding of safety significance, and ease NRC and industry administrative burdens. Line item improvements, bases, and implementation of the specifications are discussed.

  17. Technical Writing Needs Assessment.

    ERIC Educational Resources Information Center

    Oakland Community Coll., Farmington, MI. Office of Institutional Planning and Analysis.

    In fall 1991, a study was conducted by Oakland Community College (OCC) to evaluate the need for a proposed Technical Writing program. General information was gathered from a literature review, Michigan Occupational Information System data, interviews with professionals in the field, and a 1987 needs assessment conducted by Washtenaw Community…

  18. Teaching Technical Report Writing

    ERIC Educational Resources Information Center

    De Pasquale, Joseph A.

    1977-01-01

    A high school electronics teacher describes the integration of technical report writing in the electronics program for trade and industrial students. He notes that the report writing rather than just recording data seemed to improve student laboratory experience but further improvements in the program are needed. A sample lab report is included.…

  19. ICCS 2009 Technical Report

    ERIC Educational Resources Information Center

    Schulz, Wolfram, Ed.; Ainley, John, Ed.; Fraillon, Julian, Ed.

    2011-01-01

    This report is structured so as to provide technical detail about each aspect of International Civic and Citizenship Education Study (ICCS). The overview is followed by a series of chapters that provide detail about different aspects of ICCS. Chapters, 2, 3, 4, and 5 are concerned with the instruments. Chapter 2 provides information about the…

  20. Teaching Technical Writing.

    ERIC Educational Resources Information Center

    Lummis, Jean

    2001-01-01

    Uses concept-based laboratory reports to incorporate technical writing into teaching. Features three paragraphs in the writing format: introductory paragraph, data paragraph, and conclusion. Recommends using this teaching method, especially in chemistry laboratories, because of the difficulties students have in understanding. (YDS)

  1. Assessing Technical Training Needs.

    ERIC Educational Resources Information Center

    Schwaller, Anthony E.; Slipy, Dave

    1985-01-01

    Describes the results of a joint project of St. Cloud State University (Minnesota) and DeZURIK Corporation (a manufacturer and distributor of industrial valves) which developed and implemented a technical training needs questionnaire for use with the company's employees. Student involvement in the process is noted. (MBR)

  2. Vocational and Technical Education.

    ERIC Educational Resources Information Center

    Compact, 1968

    1968-01-01

    Volume 2, Issue 3 of "Compact" was designed to point out the problems and potential of vocational-technical education and to offer some suggestions for action. Major content includes: (1) "Education for Twenty-First Century Employment," by Wayne Morse, (2) "Pending Federal Legislation Encourages Vocational Innovation," by Grant Venn, (3)…

  3. Technical Writing in Hydrogeology.

    ERIC Educational Resources Information Center

    Tinker, John R., Jr.

    1986-01-01

    A project for Writing Across the Curriculum at the University of Wisconsin-Eau Claire is described as a method to relate the process of writing to the process of learning hydrology. The project focuses on an actual groundwater contamination case and is designed to improve the technical writing skills of students. (JN)

  4. Materials Technical Team Roadmap

    SciTech Connect

    none,

    2013-08-01

    Roadmap identifying the efforts of the Materials Technical Team (MTT) to focus primarily on reducing the mass of structural systems such as the body and chassis in light-duty vehicles (including passenger cars and light trucks) which enables improved vehicle efficiency regardless of the vehicle size or propulsion system employed.

  5. Technical Report Bibliography.

    ERIC Educational Resources Information Center

    Hoffnagle, Gale F.

    A Bibliography of all unclassified technical reports prepared by USAF Environmental Health Laboratory, McClellan is presented. It contains a listing by subject matter and a listing of all reports by year with report number and abstract. The reports cover most areas of environmental topics such as air, water, noise, and radiation pollution. (NTIS)

  6. Technical Entrepreneurship: A Symposium.

    ERIC Educational Resources Information Center

    Cooper, Arnold C., Ed.; Komives, John L., Ed.

    Contained in this document are papers presented at the Symposium on Technical Entrepreneurship at Purdue University by researchers who were then or had previously been engaged in research in the area. Because formal research in this area was in its infancy, there was a particular need to afford investigators in the field opportunities to compare…

  7. TECHNICAL SUPPORT TO IAEA

    EPA Science Inventory

    IAEA sponsors meetings of technical specialists from many nations on NORM and NORM industries in Member States, with particular emphasis on potential public exposure to, and the residual waste arising from, these activities, and aspects of how NORM differs from artificial, man-ma...

  8. Final Technical Report

    SciTech Connect

    Gandy, Rex

    2000-05-15

    The technical goal of this collaborative effort is to measure electron temperature fluctuations using electron cyclotron emission on the Alcator-C tokamak. The physics goal is to understand the role that these fluctuations play in plasma transport; in particular, the influence of electron temperature fluctuations on anomalous transport. Measurement techniques and apparatus are discussed.

  9. PISA 2012 Technical Report

    ERIC Educational Resources Information Center

    OECD Publishing, 2014

    2014-01-01

    The "PISA 2012 Technical Report" describes the methodology underlying the PISA 2012 survey, which tested 15-year-olds' competencies in mathematics, reading and science and, in some countries, problem solving and financial literacy. It examines the design and implementation of the project at a level of detail that allows researchers to…

  10. CATV Technical Papers.

    ERIC Educational Resources Information Center

    National Cable Television Association, Inc., Washington, DC.

    Complete technical papers of the 1977 National Cable Television Association Convention are included in this report. Twenty-two of 32 papers and two abstracts cover the topics of advanced cable television techniques, human reactions to television picture impairment, special displays and services, protection from theft of service, everyday…

  11. Scientific and Technical Education.

    ERIC Educational Resources Information Center

    Balzer, Harley D.

    1982-01-01

    Discusses scientific and technical education in the Soviet Union (based in part on extensive interviews with Soviet scientists and engineers), focusing on system of secondary education, preparing students for advanced study, renewed emphasis on specialized secondary schools, higher education/training, and future developments. (Author/JN)

  12. DNA damage by the sulfate radical anion: hydrogen abstraction from the sugar moiety versus one-electron oxidation of guanine.

    PubMed

    Roginskaya, Marina; Mohseni, Reza; Ampadu-Boateng, Derrick; Razskazovskiy, Yuriy

    2016-07-01

    The products of oxidative damage to double-stranded (ds) DNA initiated by photolytically generated sulfate radical anions SO4(•-) were analyzed using reverse-phase (RP) high-performance liquid chromatography (HPLC). Relative efficiencies of two major pathways were compared: production of 8-oxoguanine (8oxoG) and hydrogen abstraction from the DNA 2-deoxyribose moiety (dR) at C1,' C4,' and C5' positions. The formation of 8oxoG was found to account for 87% of all quantified lesions at low illumination doses. The concentration of 8oxoG quickly reaches a steady state at about one 8oxoG per 100 base pairs due to further oxidation of its products. It was found that another guanine oxidation product identified as 2-amino-5-(2'-alkylamino)-4H-imidazol-4-one (X) was released in significant quantities from its tentative precursor 2-amino-5-[(2'-deoxy-β-d-erythro-pentofuranosyl)amino]-4H-imidazol-4-one (dIz) upon treatment with primary amines in neutral solutions. The linear dose dependence of X release points to the formation of dIz directly from guanine and not through oxidation of 8oxoG. The damage to dR was found to account for about 13% of the total damage, with majority of lesions (33%) originating from the C4' oxidation. The contribution of C1' oxidation also turned out to be significant (17% of all dR damages) despite of the steric problems associated with the abstraction of the C1'-hydrogen. However, no evidence of base-to-sugar free valence transfer as a possible alternative to direct hydrogen abstraction at C1' was found. PMID:27043476

  13. Identification of two moieties of beta-endorphin with opposing effects on rat T-cell proliferation.

    PubMed Central

    van den Bergh, P; Rozing, J; Nagelkerken, L

    1993-01-01

    In a previous study we demonstrated that beta-endorphin (beta-end) may stimulate rat T-cell proliferation via triggering of non-opioid receptors, whereas this stimulatory effect is abrogated by interaction of beta-end with opioid receptors. In the present study we provide evidence for this dualistic nature of beta-end by the identification of stimulatory and inhibitory sites of beta-end with the use of peptide fragments. The fragments beta-end6-31 and beta-end 18-31, which both lack the opioid receptor binding N-terminal sequence, enhanced rat T-cell proliferation when added directly to the cultures. By contrast, the peptide fragments beta-end24-31 and beta-end28-31 did not stimulate proliferation. Peptides and fragments containing the N-terminal part, i.e. methionine-enkephalin (met-enk), alpha-endorphin (alpha-end), gamma-endorphin, the fragment beta-end1-27, and the intact beta-end, did not influence proliferation by themselves. However, the addition of met-enk or alpha-end to T cells that had been stimulated by the fragments beta-end6-31 or beta-end18-31 resulted in the abrogation of the stimulating effect. These data further support the hypothesis that beta-end is a peptide with a dualistic nature: its C-terminal moiety enhances T-cell proliferation, whereas this stimulatory effect can be prevented by peptides that possess the N-terminal enkephalin sequence. PMID:8509139

  14. Chemical structure-related mechanisms underlying in vivo genotoxicity induced by nitrofurantoin and its constituent moieties in gpt delta rats.

    PubMed

    Kijima, Aki; Ishii, Yuji; Takasu, Shinji; Matsushita, Kohei; Kuroda, Ken; Hibi, Daisuke; Suzuki, Yuta; Nohmi, Takehiko; Umemura, Takashi

    2015-05-01

    Nitrofurans are antimicrobial compounds containing a nitro group at the 5-position of the furan ring and an amine or hydrazide side chain derivative. One member of the nitrofurans, nitrofurantoin (NFT), is a renal carcinogen in male rats despite its still controversial genotoxicity. We investigated chemical structure-related modes of action of NFT, and reporter gene mutation assays for NFT and its constituent moieties were performed. NFT, 5-nitro-2-furaldehyde (NFA), or 1-aminohydantoin (AHD) was administered to male F344 gpt delta rats by gavage for 4 or 13 weeks at a carcinogenic or the maximum tolerated dose. NFT caused a significant increase in gpt mutant frequency (MF) at 13 weeks with G-base substitution mutations. An increase in gpt MF was also observed in the NFA-treated group at 13 weeks, but not in the AHD-treated group. 8-Hydroxydeoxyguanosine (8-OHdG) levels in the kidney DNA of NFT-treated rats were significantly increased after 4 weeks. NFT caused accumulation of hyaline droplets indicated by positive immunostaining and western blot analysis for α2u-globulin in the proximal tubules. An additional study, in which female gpt delta rats were given NFT at the same dose used for males, was performed to mitigate the effect of α2u-globulin. NFT exerted the same effects on female rat kidneys to the same extent as males in terms of gpt MF and 8-OHdG level. Thus, it is highly probable that the structure of the nitro furan plays a key role in NFT-induced genotoxicity and genotoxic mechanisms including oxidative DNA damage are involved in NFT-induced renal carcinogenesis. α2u-globulin-mediated nephropathy may be a prerequisite for NFT-induced renal carcinogenesis in male rats, and additionally NFT could be a latent carcinogen in female rats and other animal species. PMID:25772432

  15. Unique N-Glycan Moieties of the 66-kDa Cell Wall Glycoprotein from the Red Microalga Porphyridium sp.

    PubMed Central

    Levy-Ontman, Oshrat; Arad, Shoshana (Malis); Harvey, David J.; Parsons, Thomas B.; Fairbanks, Antony; Tekoah, Yoram

    2011-01-01

    We report here the structural determination of the N-linked glycans in the 66-kDa glycoprotein, part of the unique sulfated complex cell wall polysaccharide of the red microalga Porphyridium sp. Structures were elucidated by a combination of normal phase/reverse phase HPLC, positive ion MALDI-TOF MS, negative ion electrospray ionization, and MS/MS. The sugar moieties of the glycoprotein consisted of at least four fractions of N-linked glycans, each composed of the same four monosaccharides, GlcNAc, Man, 6-O-MeMan, and Xyl, with compositions Man8–9Xyl1–2Me3GlcNAc2. The present study is the first report of N-glycans with the terminal Xyl attached to the 6-mannose branch of the 6-antenna and to the 3-oxygen of the penultimate (core) GlcNAc. Another novel finding was that all four glycans contain three O-methylmannose residues in positions that have never been reported before. Although it is known that some lower organisms are able to methylate terminal monosaccharides in glycans, the present study on Porphyridium sp. is the first describing an organism that is able to methylate non-terminal mannose residues. This study will thus contribute to understanding of N-glycosylation in algae and might shed light on the evolutionary development from prokaryotes to multicellular organisms. It also may contribute to our understanding of the red algae polysaccharide formation. The additional importance of this research lies in its potential for biotechnological applications, especially in evaluating the use of microalgae as cell factories for the production of therapeutic proteins. PMID:21515680

  16. Co-crystallization phase transformations in all π-conjugated block copolymers with different main-chain moieties.

    PubMed

    Lee, Yi-Huan; Chen, Wei-Chih; Yang, Yi-Lung; Chiang, Chi-Ju; Yokozawa, Tsutomu; Dai, Chi-An

    2014-05-21

    Driven by molecular affinity and balance in the crystallization kinetics, the ability to co-crystallize dissimilar yet self-crystallizable blocks of a block copolymer (BCP) into a uniform domain may strongly affect its phase diagram. In this study, we synthesize a new series of crystalline and monodisperse all-π-conjugated poly(2,5-dihexyloxy-p-phenylene)-b-poly(3-(2-ethylhexyl)thiophene) (PPP-P3EHT) BCPs and investigate this multi-crystallization effect. Despite vastly different side-chain and main-chain structures, PPP and P3EHT blocks are able to co-crystallize into a single uniform domain comprising PPP and P3EHT main-chains with mutually interdigitated side-chains spaced in-between. With increasing P3EHT fraction, PPP-P3EHTs undergo sequential phase transitions and form hierarchical superstructures including predominately PPP nanofibrils, co-crystalline nanofibrils, a bilayer co-crystalline/pure P3EHT lamellar structure, a microphase-separated bilayer PPP-P3EHT lamellar structure, and finally P3EHT nanofibrils. In particular, the presence of the new co-crystalline lamellar structure is the manifestation of the interaction balance between self-crystallization and co-crystallization of the dissimilar polymers on the resulting nanostructure of the BCP. The current study demonstrates the co-crystallization nature of all-conjugated BCPs with different main-chain moieties and may provide new guidelines for the organization of π-conjugated BCPs for future optoelectronic applications. PMID:24681573

  17. Remarkable enhancement in photocytotoxicity and hydrolytic stability of curcumin on binding to an oxovanadium(IV) moiety.

    PubMed

    Banerjee, Samya; Pant, Ila; Khan, Imran; Prasad, Puja; Hussain, Akhtar; Kondaiah, Paturu; Chakravarty, Akhil R

    2015-03-01

    Oxovanadium(IV) complexes of polypyridyl and curcumin-based ligands, viz. [VO(cur)(L)Cl] (1, 2) and [VO(scur)(L)Cl] (3, 4), where L is 1,10-phenanthroline (phen in 1 and 3), dipyrido[3,2-a:2',3'-c]phenazine (dppz in 2 and 4), Hcur is curcumin and Hscur is diglucosylcurcumin, were synthesized and characterized and their cellular uptake, photocytotoxicity, intracellular localization, DNA binding, and DNA photo-cleavage activity studied. Complex [VO(cur)(phen)Cl] (1) has V(IV)N2O3Cl distorted octahedral geometry as evidenced from its crystal structure. The sugar appended complexes show significantly higher uptake into the cancer cells compared to their normal analogues. The complexes are remarkably photocytotoxic in visible light (400-700 nm) giving an IC50 value of <5 μM in HeLa, HaCaT and MCF-7 cells with no significant dark toxicity. The green emission of the complexes was used for cellular imaging. Predominant cytosolic localization of the complexes 1-4 to a lesser extent into the nucleus was evidenced from confocal imaging. The complexes as strong binders of calf thymus DNA displayed photocleavage of supercoiled pUC19 DNA in red light by generating ˙OH radicals as the ROS. The cell death is via an apoptotic pathway involving the ROS. Binding to the VO(2+) moiety has resulted in stability against any hydrolytic degradation of curcumin along with an enhancement of its photocytotoxicity. PMID:25623080

  18. Biosynthesis of the carbohydrate moieties of arabinogalactan proteins by membrane-bound β-glucuronosyltransferases from radish primary roots.

    PubMed

    Endo, Maya; Kotake, Toshihisa; Watanabe, Yoko; Kimura, Kazumasa; Tsumuraya, Yoichi

    2013-12-01

    A membrane fraction from etiolated 6-day-old primary radish roots (Raphanus sativus L. var hortensis) contained β-glucuronosyltransferases (GlcATs) involved in the synthesis of the carbohydrate moieties of arabinogalactan proteins (AGPs). The GlcATs transferred [(14)C]GlcA from UDP-[(14)C]GlcA on to β-(1 → 3)-galactan as an exogenous acceptor substrate, giving a specific activity of 50-150 pmol min(-1) (mg protein)(-1). The enzyme specimen also catalyzed the transfer of [(14)C]GlcA on to an enzymatically modified AGP from mature radish root. Analysis of the transfer products revealed that the transfer of [(14)C]GlcA occurred preferentially on to consecutive (1 → 3)-linked β-Gal chains as well as single branched β-(1 → 6)-Gal residues through β-(1 → 6) linkages, producing branched acidic side chains. The enzymes also transferred [(14)C]GlcA residues on to several oligosaccharides, such as β-(1 → 6)- and β-(1 → 3)-galactotrioses. A trisaccharide, α-L-Araf-(1 → 3)-β-Gal-(1 → 6)-Gal, was a good acceptor, yielding a branched tetrasaccharide, α-L-Araf-(1 → 3)[β-GlcA-(1 → 6)]-β-Gal-(1 → 6)-Gal. We report the first in vitro assay system for β-GlcATs involved in the AG synthesis as a step toward full characterization and cloning. PMID:24057431

  19. SDZ PRI 053, an orally bioavailable human immunodeficiency virus type 1 proteinase inhibitor containing the 2-aminobenzylstatine moiety.

    PubMed Central

    Billich, A; Fricker, G; Müller, I; Donatsch, P; Ettmayer, P; Gstach, H; Lehr, P; Peichl, P; Scholz, D; Rosenwirth, B

    1995-01-01

    A series of inhibitors of human immunodeficiency virus type 1 (HIV-1) proteinase containing the 2-aralkyl-amino-substituted statine moiety as a novel transition-state analog was synthesized, with the aim to obtain compounds which combine anti-HIV potency with oral bioavailability. The reduced-size 2-aminobenzylstatine derivative SDZ PRI 053, which contains 2-(S)-amino-3-(R)-hydroxyindane in place of an amino acid amide, is a potent and orally bioavailable inhibitor of HIV-1 replication. The antiviral activity of SDZ PRI 053 was demonstrated in various cell lines, in primary lymphocytes, and in primary monocytes, against laboratory strains as well as clinical HIV-1 isolates (50% effective dose = 0.028 to 0.15 microM). Cell proliferation was impaired only at 100- to 300-fold-higher concentrations. The mechanism of antiviral action of the proteinase inhibitor SDZ PRI 0.53 was demonstrated to be inhibition of gag precursor protein processing. The finding that the inhibitory potency of SDZ PRI 053 in chronic virus infection, determined by p24 release, was considerably lower than that in de novo infection may be explained by the fact that the virus particles produced in the presence of SDZ PRI 053 are about 50-fold less infectious than those from untreated cultures. Upon intravenous administration, half-lives in blood of 100 and 32 min in mice and rats, respectively, were measured. Oral bioavailability of SDZ PRI 053 in rodents was 20 to 60%, depending on the dose. In mice, rats, and dogs, the inhibitor levels after oral administration remained far above the concentrations needed to efficiently block HIV replication in vitro for a prolonged period. This compound is thus a promising candidate for clinical use in HIV disease. PMID:7492076

  20. Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.

    PubMed

    Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta

    2016-09-01

    In the search for long-lived quantum coherence in spin systems, vanadium(IV) complexes have shown record phase memory times among molecular systems. When nuclear spin-free ligands are employed, vanadium(IV) complexes can show at low temperature sufficiently long quantum coherence times, Tm, to perform quantum operations, but their use in real devices operating at room temperature is still hampered by the rapid decrease of T1 caused by the efficient spin-phonon coupling. In this work we have investigated the effect of different coordination environments on the magnetization dynamics and the quantum coherence of two vanadium(IV)-based potential molecular spin qubits in the solid state by introducing a unique structural difference, i.e., an oxovanadium(IV) in a square pyramidal versus a vanadium(IV) in an octahedral environment featuring the same coordinating ligand, namely, the 1,3-dithiole-2-thione-4,5-dithiolate. This investigation, performed by a combined approach of alternate current (ac) susceptibility measurements and continuous wave (CW) and pulsed electron paramagnetic resonance (EPR) spectroscopies revealed that the effectiveness of the vanadyl moiety in enhancing quantum coherence up to room temperature is related to a less effective mechanism of spin-lattice relaxation that can be quantitatively evaluated by the exponent n (ca. 3) of the temperature dependence of the relaxation rate. A more rapid collapse is observed for the non-oxo counterpart (n = 4) hampering the observation of quantum coherence at room temperature. Record coherence time at room temperature (1.04 μs) and Rabi oscillations are also observed for the vanadyl derivative in a very high concentrated material (5 ± 1%) as a result of the additional benefit provided by the use of a nuclear spin-free ligand. PMID:27517709

  1. Minimalism in fabrication of self-organized nanogels holding both anti-cancer drug and targeting moiety.

    PubMed

    Kim, Sungwon; Park, Kyong Mi; Ko, Jin Young; Kwon, Ick Chan; Cho, Hyeon Geun; Kang, Dongmin; Yu, In Tag; Kim, Kwangmeyung; Na, Kun

    2008-05-01

    Recent researches to develop nano-carrier systems in anti-cancer drug delivery have focused on more complicated design to improve therapeutic efficacy and to reduce side effects. Although such efforts have great impact to biomedical science and engineering, the complexity has been a huddle because of clinical and economic problems. In order to overcome the problems, a simplest strategy to fabricate nano-carriers to deliver doxorubicin (DOX) was proposed in the present study. Two significant subjects (i) formation of nanoparticles loading and releasing DOX and (ii) binding specificity of them to cells, were examined. Folic acid (FA) was directly coupled with pullulan (Pul) backbone by ester linkage (FA/Pul conjugate) and the degree of substitution (DS) was varied, which were confirmed by 1H NMR and UV spectrophotometry. Light scattering results revealed that the nanogels possessed two major size distributions around 70 and 270 nm in an aqueous solution. Their critical aggregation concentrations (CACs) were less than 10 microg/mL, which are lower than general critical micelle concentrations (CMCs) of low-molecular-weight surfactants. Transmission electron microscopy (TEM) images showed well-dispersed nanogel morphology in a dried state. Depending on the DS, the nanogels showed different DOX-loading and releasing profiles. The DOX release rate from FA8/Pul (with the highest DS) for 24h was slower than that from FA4/or FA6/Pul, indicating that the FA worked as a hydrophobic moiety for drug holding. Cellular uptake of the nanogels (KB cells) was also monitored by confocal microscopy. All nanogels were internalized regardless of the DS of FA. Based on the results, the objectives of this study, to suggest a new method overcoming the complications in the drug carrier design, were successfully verified. PMID:18164602

  2. Synthesis of Rapamycin Derivatives Containing the Triazole Moiety Used as Potential mTOR-Targeted Anticancer Agents.

    PubMed

    Xie, Lijun; Huang, Jie; Chen, Xiaoming; Yu, Hui; Li, Kualiang; Yang, Dan; Chen, Xiaqin; Ying, Jiayin; Pan, Fusheng; Lv, Youbing; Cheng, Yuanrong

    2016-06-01

    Rapamycin, a potent antifungal antibiotic, was approved as immunosuppressant, and lately its derivatives have been developed into mTOR targeting anticancer drugs. Structure modification was performed at the C-42 position of rapamycin, and a novel series of rapamycin triazole hybrids (4a-d, 5a-e, 8a-e, and 9a-e) was facilely synthesized via Huisgen's reaction. The anticancer activity of these compounds was evaluated against the Caski, H1299, MGC-803, and H460 human cancer cell lines. Some of the derivatives (8a-e, 9a-e) appeared to have stronger activity than that of rapamycin; however, 4a-d and 5a-e failed to show potential anticancer activity. Compound 9e with a (2,4-dichlorophenylamino)methyl moiety on the triazole ring was the most active anticancer compound, which showed IC50 values of 6.05 (Caski), 7.89 (H1299), 25.88 (MGC-803), and 8.60 μM (H460). In addition, research on the mechanism showed that 9e was able to cause cell morphological changes and to induce apoptosis in the Caski cell line. Most importantly, 9e can decrease the phosphorylation of mTOR and of its downstream key proteins, S6 and P70S6K1, indicating that 9e can effectively inhibit the mTOR signaling pathway. Thus, it may have the potential to become a new mTOR inhibitor against various cancers. PMID:27150260

  3. Simultaneous interaction with base and phosphate moieties modulates the phosphodiester cleavage of dinucleoside 3',5'-monophosphates by dinuclear Zn2+ complexes of di(azacrown) ligands.

    PubMed

    Wang, Qi; Lönnberg, Harri

    2006-08-23

    Five dinucleating ligands (1-5) and one trinucleating ligand (6) incorporating 1,5,9-triazacyclododecan-3-yloxy groups attached to an aromatic scaffold have been synthesized. The ability of the Zn(2+) complexes of these ligands to promote the transesterification of dinucleoside 3',5'-monophosphates to a 2',3'-cyclic phosphate derived from the 3'-linked nucleoside by release of the 5'-linked nucleoside has been studied over a narrow pH range, from pH 5.8 to 7.2, at 90 degrees C. The dinuclear complexes show marked base moiety selectivity. Among the four dinucleotide 3',5'-phosphates studied, viz. adenylyl-3',5'-adenosine (ApA), adenylyl-3',5'-uridine (ApU), uridylyl-3',5'-adenosine (UpA), and uridylyl-3',5'-uridine (UpU), the dimers containing one uracil base (ApU and UpA) are cleaved up to 2 orders of magnitude more readily than those containing either two uracil bases (UpU) or two adenine bases (ApA). The trinuclear complex (6), however, cleaves UpU as readily as ApU and UpA, while the cleavage of ApA remains slow. UV spectrophotometric and (1)H NMR spectroscopic studies with one of the dinucleating ligands (3) verify binding to the bases of UpU and ApU at less than millimolar concentrations, while no interaction with the base moieties of ApA is observed. With ApU and UpA, one of the Zn(2+)-azacrown moieties in all likelihood anchors the cleaving agent to the uracil base of the substrate, while the other azacrown moiety serves as a catalyst for the phosphodiester transesterification. With UpU, two azacrown moieties are engaged in the base moiety binding. The catalytic activity is, hence, lost, but it can be restored by addition of a third azacrown group on the cleaving agent. PMID:16910666

  4. 78 FR 27963 - Reliability Technical Conference; Notice of Technical Conference

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-13

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Reliability Technical Conference; Notice of Technical Conference Take notice that the Federal Energy Regulatory Commission will hold a Technical Conference on Tuesday, July 9, 2013 from 9:00 a.m. to 5:00 p.m....

  5. 76 FR 64083 - Reliability Technical Conference; Notice of Technical Conference

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-17

    ... Energy Regulatory Commission Reliability Technical Conference; Notice of Technical Conference Take notice... reliability of the Bulk-Power System. The conference will explore the progress made on the priorities for addressing risks to reliability that were identified in earlier Commission technical conferences....

  6. Photo-triggered release from liposomes without membrane solubilization, based on binding to poly(vinyl alcohol) carrying a malachite green moiety.

    PubMed

    Uda, Ryoko M; Kato, Yutaka; Takei, Michiko

    2016-10-01

    When working with liposomes analogous to cell membranes, it is important to develop substrates that can regulate interactions with the liposome surface in response to light. We achieved a photo-triggered release from liposomes by using a copolymer of poly(vinyl alcohol) carrying a malachite green moiety (PVAMG). Although PVAMG is a neutral polymer under dark conditions, it is photoionized upon exposure to UV light, resulting in the formation of a cationic site for binding to liposomes with a negatively charged surface. Under UV irradiation, PVAMG showed effective interaction with liposomes, releasing the encapsulated compound; however, this release was negligible under dark conditions. The poly(vinyl alcohol) moiety of PVAMG played an important role in the photo-triggered release. This release was caused by membrane destabilization without lipid solubilization. We also investigated different aspects of liposome/PVAMG interactions, including PVAMG-induced fusion between the liposomes and the change in the liposome morphologies. PMID:27434159

  7. Preparation of unconventional dendrimers that contain rigid NH-triazine linkages and peripheral tert-butyl moieties for CO2 -selective adsorption.

    PubMed

    Lee, Cheng-Hua; Tsai, Meng-Rong; Chang, Yen-Tzu; Lai, Long-Li; Lu, Kuang-Lieh; Cheng, Kung-Lung

    2013-08-01

    Three unconventional dendrimers that contained rigid NH-triazine linkages and peripheral tert-butyl moieties were prepared by using a convergent approach and characterized by (1)H and (13)C NMR spectroscopy, mass spectrometry, and elemental analysis. Based on a thermogravimetric analysis study, these dendrimers were observed to display thermal stability at about 300 °C. The NH-triazine moiety, which possessed protonated and proton-free nitrogen sites (like the imidazole unit), displayed the capture of polarizable CO2 molecules through hydrogen-bond and/or dipole-quadrupole interactions. In addition, the adsorption of various amounts of CO2 and N2 at different pressures suggests that the dendritic pores, which arise from the stacking of the middle co-planar and rim protuberant dendrimers, Gn -N∼N-Gn (n=1-3), either swell or shrink at high pressure, thus indicating that these dendrimers may have a breathing ability. PMID:23794529

  8. Modulation on C- and N-terminal moieties of a series of potent and selective linear tachykinin NK(2) receptor antagonists.

    PubMed

    Gensini, Martina; Altamura, Maria; Dimoulas, Tula; Fedi, Valentina; Giannotti, Danilo; Giuliani, Sandro; Guidi, Antonio; Harmat, Nicholas J S; Meini, Stefania; Nannicini, Rossano; Pasqui, Franco; Tramontana, Manuela; Triolo, Antonio; Maggi, Carlo Alberto

    2010-01-01

    Herein we describe the synthesis of a series of new potent tachykinin NK(2) receptor antagonists by the modulation of the C- and N-terminal moieties of ibodutant (MEN 15596, 1). The N-terminal benzo[b]thiophene ring was replaced by different substituted naphthalenes and benzofurans, while further modifications were evaluated at the C-terminal tetrahydropyran moiety. Most compounds demonstrated a high affinity for the human NK(2) receptor and high in vitro antagonist potency, indicating that a wide range of substituents at both termini can be incorporated in the molecule without detrimental effects on the interactions with the NK(2) receptor. Selected compounds were tested in vivo confirming their activity as NK(2) antagonists. In particular, after both iv and id administration to guinea pig, compound 61 b was able to antagonize NK(2)-induced colonic contractions with a potency and duration-of-action fully comparable to the reference compound 1 (MEN 15596, ibodutant). PMID:19957262

  9. An optimized polyamine moiety boosts the potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512.

    PubMed

    Palermo, Giulia; Minniti, Elirosa; Greco, Maria Laura; Riccardi, Laura; Simoni, Elena; Convertino, Marino; Marchetti, Chiara; Rosini, Michela; Sissi, Claudia; Minarini, Anna; De Vivo, Marco

    2015-10-01

    Combined computational-experimental analyses explain and quantify the spermine-vectorized F14512's boosted potency as a topoII poison. We found that an optimized polyamine moiety boosts drug binding to the topoII/DNA cleavage complex, rather than to the DNA alone. These results provide new structural bases and key reference data for designing new human topoII poisons. PMID:26234198

  10. Synthesis and Antimicrobial Studies of Some Novel Bis-[1,3,4]thiadiazole and Bis-thiazole Pendant to Thieno[2,3-b]thiophene Moiety

    PubMed Central

    Kheder, Nabila Abdelshafy; Mabkhot, Yahia Nasser

    2012-01-01

    The synthetic utility of 3,3′-(3,4-dimethylthieno[2,3-b]thiophene-2,5-diyl)bis (3-oxopropanenitrile) (1) in the synthesis of some novel bis-[1,3,4-thiadiazole] 6a–g and bis-thiazole 10 and 13 derivatives with thieno[2,3-b]thiophene moiety is reported. Antimicrobial evaluation of some selected examples from the synthesized products was carried out and showed promising results. PMID:22489174

  11. The role of the catecholic and the electrophilic moieties of caffeic acid in Nrf2/Keap1 pathway activation in ovarian carcinoma cell lines

    PubMed Central

    Sirota, R.; Gibson, D.; Kohen, R.

    2014-01-01

    In recent years, numerous studies have demonstrated the health benefits of polyphenols. A major portion of polyphenols in western diet are derived from coffee, which is one of the most consumed beverages in the world. It has been shown that many polyphenols gain their beneficial properties (e.g. cancer prevention) through the activation of the Nrf2/Keap1 pathway as well as their direct antioxidant activity. However, activation of Nrf2 in cancer cells might lead to resistance towards therapy through induction of phase II enzymes. In the present work we hypothesize that caffeic acid (CA), a coffee polyphenol, might act as an electrophile in addition to its nucleophilic properties and is capable of inducing the Nrf2/EpRE pathway in cancer cells. The results indicate that CA induces Nrf2 translocation into the nucleus and consequently its transcription. It has been demonstrated that generated hydrogen peroxide is involved in the induction process. It has also been found that this process is induced predominantly via the double bond in CA (Michael acceptor). However, surprisingly the presence of both nucleophilic and electrophilic moieties in CA resulted in a synergetic activation of Nrf2 and phase II enzymes. We also found that CA possesses a dual activity, although inducing GSTP1 and GSR, it inhibiting their enzymatic activity. In conclusion, the mechanism of induction of Nrf2 pathway and phase II enzymes by CA has been elucidated. The electrophilic moiety in CA is essential for the oxidation of the Keap1 protein. It should be noted that while the nucleophilic moiety (the catechol/quinone moiety) can provide scavenging ability, it cannot contribute directly to Nrf2 induction. It was found that this process may be induced by H2O2 produced by the catechol group. On the whole, it appears that CA might play a major role in the cancer cells by enhancing their resistance to treatment. PMID:25498967

  12. Synthesis of two distinct pyrrole moiety-containing arenes from nitroanilines using Paal-Knorr followed by an indium-mediated reaction.

    PubMed

    Kim, Byeong Hyo; Bae, Seolhee; Go, Ahra; Lee, Hyunseung; Gong, Cheoloh; Lee, Byung Min

    2016-01-01

    Synthesis of arenes substituted with two differently substituted-pyrrole moieties was investigated. A Paal-Knorr condensation reaction of nitroanilines with 1,4-diketone to nitrophenyl-1H-pyrroles followed by an indium-mediated reduction-triggered coupling reaction with another kind of 1,4-diketone resulted in two distinct pyrrole-containing arenes, variously substituted 1-((1H-pyrrol-1-yl)phenyl)-1H-pyrroles, in reasonable yield. PMID:26593044

  13. Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.

    PubMed

    Behrle, Andrew C; Walensky, Justin R

    2016-06-14

    The reactivity of thorium-phosphido and thorium-arsenido bonds was probed using tert-butyl isocyanide, (t)BuNC. Reaction of (C5Me5)2Th[E(H)R]2, E = P, As; R = 2,4,6-(i)Pr3C6H2, 2,4,6-Me3C6H2 with (t)BuNC affords the first phosphaazaallene and arsaazaallene moieties with an f-element. PMID:27122120

  14. Bioethics for Technical Experts

    NASA Astrophysics Data System (ADS)

    Asano, Shigetaka

    Along with rapidly expanding applications of life science and technology, technical experts have been implicated more and more often with ethical, social, and legal problems than before. It should be noted that in this background there are scientific and social uncertainty elements which are inevitable during the progress of life science in addition to the historically-established social unreliability to scientists and engineers. In order to solve these problems, therefore, we should establish the social governance with ‘relief’ and ‘reliance’ which enables for both citizens and engineers to share the awareness of the issues, to design social orders and criterions based on hypothetical sense of values for bioethics, to carry out practical use management of each subject carefully, and to improve the sense of values from hypothetical to universal. Concerning these measures, the technical experts can learn many things from the present performance in the medical field.

  15. Microemulsions in technical processes

    SciTech Connect

    Schwuger, M.J.; Stickdorn, K.; Schomaecker, R.

    1995-06-01

    The aim of this review is to present once again the basic properties of microemulsions and to relate them to some already established applications and also to show further potential fields of application. This review will survey this area, focusing mainly on the last decade. Earlier publications on the technical relevance of microemulsions and reverse micelles were reviewed by Langevin in 1982. The most important properties of these systems, which are of significance for technical applications, will be described. The applications discussed are: enhanced oil recovery; liquid-liquid extraction; extraction from chemically contaminated soils; lubricants and cutting oils; pharmaceuticals and cosmetics; washing; impregnation and textile finishing; and chemical reactions in microemulsions. 143 refs.

  16. ION-1 technical manual

    SciTech Connect

    Halbig, J.K.; Caine, J.C.

    1985-07-01

    The portable gamma-ray and neutron detector electronics (ION-1) gives a digital readout of the current-mode response produced by gamma rays in an ion chamber and of amplification and scaling of pulses received from a neutron detector. The primary application is the measurement of gamma-ray and neutron activity of irradiated reactor fuels stored at a reactor or at a storage pond away from a reactor. ION-1 is the first such instrument to use a design that allows communication of procedures, response, and results between instrument and inspector. It prompts the inspector through procedures, carries out programmed measurement steps, calculates results and error estimates, and performs internal diagnostic checks. This Technical Manual describes adjustment procedures and limited technical information that enable the inspector to troubleshoot at the board level. 5 figs., 10 tabs.

  17. Independent technical review, handbook

    SciTech Connect

    Not Available

    1994-02-01

    Purpose Provide an independent engineering review of the major projects being funded by the Department of Energy, Office of Environmental Restoration and Waste Management. The independent engineering review will address questions of whether the engineering practice is sufficiently developed to a point where a major project can be executed without significant technical problems. The independent review will focus on questions related to: (1) Adequacy of development of the technical base of understanding; (2) Status of development and availability of technology among the various alternatives; (3) Status and availability of the industrial infrastructure to support project design, equipment fabrication, facility construction, and process and program/project operation; (4) Adequacy of the design effort to provide a sound foundation to support execution of project; (5) Ability of the organization to fully integrate the system, and direct, manage, and control the execution of a complex major project.

  18. Final Technical Report

    SciTech Connect

    Maxwell, Mike, J., P.E.

    2012-08-30

    The STI product is the Final Technical Report from ReliOn, Inc. for contract award DE-EE0000487: Recovery Act PEM Fuel Cell Systems Providing Emergency Reserve and Backup Power. The program covered the turnkey deployment of 431 ReliOn fuel cell systems at 189 individual sites for AT&T and PG&E with ReliOn functioning as the primary equipment supplier and the project manager. The Final Technical Report provides an executive level summary, a comparison of the actual accomplishments vs. the goals and objectives of the project, as well as a summary of the project activity from the contract award date of August 1, 2009 through the contract expiration date of December 31, 2011. Two photos are included in the body of the report which show hydrogen storage and bulk hydrogen refueling technologies developed as a result of this program.

  19. 77 FR 16425 - Technical Amendments

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-21

    ... 701, 760, and 790 Technical Amendments AGENCY: National Credit Union Administration (NCUA). ACTION... nondiscrimination requirements, flood insurance and the description of NCUA to make minor, nonsubstantive technical corrections. The technical amendments update the regulations to reflect current agency practice and will...

  20. 78 FR 77563 - Technical Amendments

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-24

    ... ADMINISTRATION 12 CFR Parts 700, 701, and 704 RIN 3133-AE33 Technical Amendments AGENCY: National Credit Union Administration (NCUA). ACTION: Final rule. SUMMARY: The NCUA Board (Board) is making technical amendments to NCUA's regulations regarding the rating system for corporate credit unions. The technical...

  1. Assessing Students' Technical Skill Attainment

    ERIC Educational Resources Information Center

    Jorgensen, Haley

    2010-01-01

    The Wisconsin Technical College System (WTCS) is working to comply with the Carl D. Perkins Career and Technical Education Improvement Act of 2006 (Perkins) to ensure that its graduates have mastered the technical skills needed by business and industry. The legislation requires that each state identify and approve program assessment strategies…

  2. Technical Vocabulary in Specialised Texts.

    ERIC Educational Resources Information Center

    Chung, Teresa Mihwa; Nation, Paul

    2003-01-01

    Describes two studies of technical vocabulary, one using an anatomy text and the other an applied linguistics text. Technical vocabulary was found by rating words in the texts on a four-step scale. Found that technical vocabulary made up a very substantial proportion of both the different words and the running words in texts. (Author/VWL)

  3. Technical approach document

    SciTech Connect

    Not Available

    1989-12-01

    The Uranium Mill Tailings Radiation Control Act (UMTRCA) of 1978, Public Law 95-604 (PL95-604), grants the Secretary of Energy the authority and responsibility to perform such actions as are necessary to minimize radiation health hazards and other environmental hazards caused by inactive uranium mill sites. This Technical Approach Document (TAD) describes the general technical approaches and design criteria adopted by the US Department of Energy (DOE) in order to implement remedial action plans (RAPS) and final designs that comply with EPA standards. It does not address the technical approaches necessary for aquifer restoration at processing sites; a guidance document, currently in preparation, will describe aquifer restoration concerns and technical protocols. This document is a second revision to the original document issued in May 1986; the revision has been made in response to changes to the groundwater standards of 40 CFR 192, Subparts A--C, proposed by EPA as draft standards. New sections were added to define the design approaches and designs necessary to comply with the groundwater standards. These new sections are in addition to changes made throughout the document to reflect current procedures, especially in cover design, water resources protection, and alternate site selection; only minor revisions were made to some of the sections. Sections 3.0 is a new section defining the approach taken in the design of disposal cells; Section 4.0 has been revised to include design of vegetated covers; Section 8.0 discusses design approaches necessary for compliance with the groundwater standards; and Section 9.0 is a new section dealing with nonradiological hazardous constituents. 203 refs., 18 figs., 26 tabs.

  4. Final Technical Report

    SciTech Connect

    Klein, Stephen A.

    2005-10-27

    In this final technical report, a summary of work is provided. Work toward an improved representation of frontal clouds in global climate models occurred. This involved analysis of cloud variability in ARM observations and the careful contrast of single column model solutions with ARM data. In addition, high resolution simulations of frontal clouds were employed to diagnosis processes that are important for the development of frontal clouds.

  5. Rational Design and Synthesis of New, High Efficiency, Multipotent Schiff Base-1,2,4-triazole Antioxidants Bearing Butylated Hydroxytoluene Moieties.

    PubMed

    Yehye, Wageeh A; Abdul Rahman, Noorsaadah; Saad, Omar; Ariffin, Azhar; Abd Hamid, Sharifah Bee; Alhadi, Abeer A; Kadir, Farkaad A; Yaeghoobi, Marzieh; Matlob, Abdulsalam A

    2016-01-01

    A new series of multipotent antioxidants (MPAOs), namely Schiff base-1,2,4-triazoles attached to the oxygen-derived free radical scavenging moiety butylated hydroxytoluene (BHT) were designed and subsequently synthesized. The structure-activity relationship (SAR) of the designed antioxidants was established alongside the prediction of activity spectra for substances (PASS). The antioxidant activities of the synthesized compounds 4-10 were tested by the DPPH bioassay. The synthesized compounds 4-10 inhibited stable DPPH free radicals at a level that is 10(-4) M more than the well-known standard antioxidant BHT. Compounds 8-10 with para-substituents were less active than compounds 4 and 5 with trimethoxy substituents compared to those with a second BHT moiety (compounds 6 and 7). With an IC50 of 46.13 ± 0.31 µM, compound 6 exhibited the most promising in vitro inhibition at 89%. Therefore, novel MPAOs containing active triazole rings, thioethers, Schiff bases, and BHT moieties are suggested as potential antioxidants for inhibiting oxidative stress processes and scavenging free radicals, hence, this combination of functions is anticipated to play a vital role in repairing cellular damage, preventing various human diseases and in medical therapeutic applications. PMID:27367658

  6. Reactive fillers based on SWCNTs functionalized with matrix-based moieties for the production of epoxy composites with superior and tunable properties.

    PubMed

    González-Domínguez, Jose M; Martínez-Rubí, Yadienka; Díez-Pascual, Ana M; Ansón-Casaos, A; Gómez-Fatou, Marian; Simard, Benoit; Martínez, M Teresa

    2012-07-20

    Composite materials based on epoxy matrix and single-walled carbon nanotubes (SWCNTs) are able to exhibit outstanding improvements in physical properties when using a tailored covalent functionalization with matrix-based moieties containing terminal amines or epoxide rings. The proper choice of grafted moiety and integration protocol makes it feasible to tune the composite physical properties. At 0.5 wt% SWCNT loading, these composites exhibit up to 65% improvement in storage modulus, 91% improvement in tensile strength, and 65% improvement in toughness. A 15 °C increase in the glass transition temperature relative to the parent matrix was also achieved. This suggests that a highly improved interfacial bonding between matrix and filler, coupled to improved dispersion, are achieved. The degradation temperatures show an upshift in the range of 40-60 °C, which indicates superior thermal performance. Electrical conductivity ranges from ~10(-13) to ~10(-3) S cm(-1), which also shows the possibility of tuning the insulating or conductive behaviour of the composites. The chemical affinity of the functionalization moieties with the matrix and the unchanged molecular structure at the SWCNT/matrix interface are responsible for such improvements. PMID:22717574

  7. Molecular orbital studies on the mechanism of drug-receptor interaction. 2. beta-Adrenergic drugs. An approach to explain the role of the aromatic moiety.

    PubMed

    Petrongolo, C; Macchia, B; Macchia, F; Martinelli, A

    1977-12-01

    The role of the aromatic moiety of beta-adrenergic drugs in the interaction with the receptor was investigated using the quantum mechanical ab initio SCF-MO-LCAO method. The structure-activity relationship was essentially discussed by analyzing the electrostatic molecular potential of three compounds which constitute meaningful portions of isoproterenol, INPEA, and doberol, the first drug having a stimulating activity and the others a blocking one. The results obtained point out the different roles played in the drug-receptor interaction by the various regions of the drugs and they also show that the aromatic moiety influences both the affinity and the intrinsic activity of the drugs. Indeed, the spatial correspondence among zones with negative potentials, which are localized on the phenyl substitutents of isoproterenol and INPEA and on the phenyl ring of doberol, could contribute to the affinity. On the other hand, the intrinsic activity of isoproterenol might be associated both with the proton-donor tendency of one phenolic OH group and with the wide zone of negative potential which spreads on a large part of the aromati moiety. PMID:201757

  8. Syntheses, crystal structures, and water adsorption behaviors of jungle-gym-type porous coordination polymers containing nitro moieties

    SciTech Connect

    Uemura, Kazuhiro; Onishi, Fumiaki; Yamasaki, Yukari; Kita, Hidetoshi

    2009-10-15

    NO{sub 2} containing dicarboxylate bridging ligands, nitroterephthalate (bdc-NO{sub 2}) and 2,5-dinitroterephthalate (bdc-(NO{sub 2}){sub 2}), afford porous coordination polymers, {l_brace}[Zn{sub 2}(bdc-NO{sub 2}){sub 2}(dabco)].solvents{r_brace}{sub n} (2 contains solvents) and {l_brace}[Zn{sub 2}(bdc-(NO{sub 2}){sub 2}){sub 2}(dabco)].solvents{r_brace}{sub n} (3 contains solvents). Both compounds form jungle-gym-type regularities, where a 2D square grid composed of dinuclear Zn{sub 2} units and dicarboxylate ligands is bridged by dabco molecules to extend the 2D layers into a 3D structure. In 2 contains solvents and 3 contains solvents, a rectangle pore surrounded by eight Zn{sub 2} corners contains two and four NO{sub 2} moieties, respectively. Thermal gravimetry (TG) and X-ray powder diffraction (XRPD) measurements reveal that both compounds maintain the frameworks regularities without guest molecules and with solvents such as MeOH, EtOH, i-PrOH, and Me{sub 2}CO. Adsorption measurements reveal that dried 2 and 3 adsorb H{sub 2}O molecules to be {l_brace}[Zn{sub 2}(bdc-NO{sub 2}){sub 2}(dabco)].4H{sub 2}O{r_brace}{sub n} (2 contains 4H{sub 2}O) and {l_brace}[Zn{sub 2}(bdc-(NO{sub 2}){sub 2}){sub 2}(dabco)].6H{sub 2}O{r_brace}{sub n} (3 contains 6H{sub 2}O), showing the pore hydrophilicity enhancement caused by NO{sub 2} group introduction. - Graphical abstract: Two hydrophilic porous coordination polymers, [Zn{sub 2}(bdc-NO{sub 2}){sub 2}(dabco)]{sub n} (2, bdc-NO{sub 2}=nitroterephthalate, dabco=1,4-diazabicyclo[2.2.2]octane) and [Zn{sub 2}(bdc-(NO{sub 2}){sub 2}){sub 2}(dabco)]{sub n} (3, bdc-(NO{sub 2}){sub 2}=2,5-dinitroterephthalate), have been synthesized and characterized by single X-ray analyses, thermal gravimetry, and adsorption measurements.

  9. Acetylene dithiolate linking up the [Tp'W(CO)(CN)] moiety with Ru(II) or Pd(II.).

    PubMed

    Seidel, Wolfram W; Dachtler, Woldemar; Semmler, Julia; Tänzler, Marco; Folk, Manuel; Villinger, Alexander

    2013-10-18

    A series of heterodinuclear complexes with acetylene dithiolate (acdt(2-) ) as the bridging moiety were synthesised by a facile one-pot procedure that avoided use of the highly elusive acetylene dithiol. Generation of the W-Ru complex [Tp'W(CN)(CO)(C2 S2 )Ru(η(5) -C5 H5 )(PPh3 )] (Tp'=hydrotris(3,5-dimethylpyrazolyl)borate) and the W-Pd complexes [Tp'W(CN)(CO)(C2 S2 )Pd(dppe)] and [Tp'W(CO)2 (C2 S2 )Pd(dppe)][PF6 ] (dppe=1,2-bis(diphenylphoshino)ethane), which exhibit a [W(η(2) -κ(2) -C2 S2 )M] core (M=Ru, Pd), was accomplished by using a transition-metal-assisted solvolytical removal of the Me3 Si-ethyl thiol protecting groups. All intermediate species of the reaction have been fully characterised. The highly coloured W-Ru complex [Tp'W(CN)(CO)(C2 S2 )Ru(η(5) -C5 H5 )(PPh3 )] shows reversible redox chemistry, as does the prototype complex [Tp'W(CO)2 (C2 S2 )Ru(η(5) -C5 H5 )(PPh3 )][PF6 ]. Single crystal X-ray diffraction and IR, EPR and UV/Vis spectroscopic studies in conjunction with DFT calculations prove the high electronic delocalisation of states over the acdt(2-) linker. Comparative studies revealed a higher donor strength and more pronounced dithiolate character of acdt(2-) in [Tp'W(CN)(CO)(C2 S2 )Ru(η(5) -C5 H5 )(PPh3 )] relative to [Tp'W(CO)2 (C2 S2 )Ru(η(5) -C5 H5 )(PPh3 )](+) . In addition, the influence of the overall complex charge on the metric parameters was investigated by single-crystal X-ray diffraction studies with the W-Pd complexes [Tp'WL2 (C2 S2 )Pd(dppe)] (L=(CN(-) )(CO) or (CO)2 ). The central [W(C2 S2 )Pd] units exhibit high structural similarity, which indicates the extensive delocalisation of charge over both metals. PMID:24026953

  10. Towards technical interoperability in telemedicine.

    SciTech Connect

    Craft, Richard Layne, II

    2004-05-01

    For telemedicine to realize the vision of anywhere, anytime access to care, the question of how to create a fully interoperable technical infrastructure must be addressed. After briefly discussing how 'technical interoperability' compares with other types of interoperability being addressed in the telemedicine community today, this paper describes reasons for pursuing technical interoperability, presents a proposed framework for realizing technical interoperability, identifies key issues that will need to be addressed if technical interoperability is to be achieved, and suggests a course of action that the telemedicine community might follow to accomplish this goal.

  11. Toward technical interoperability in telemedicine.

    PubMed

    Craft, Richard L

    2005-06-01

    For telemedicine to realize the vision of anywhere, anytime access to care, the question of how to create a fully interoperable technical infrastructure must be addressed. After briefly discussing how "technical interoperability" compares with other types of interoperability being addressed in the telemedicine community today, this paper describes reasons for pursuing technical interoperability, presents a proposed framework for realizing technical interoperability, identifies key issues that will need to be addressed if technical interoperability is to be achieved, and suggests a course of action that the telemedicine community might follow to accomplish this goal. PMID:16035933

  12. Technical Writing: Past, Present and Future

    NASA Technical Reports Server (NTRS)

    Mathes, J. C. (Compiler); Pinelli, T. E. (Compiler)

    1981-01-01

    The training of technical writers and the objectives of such education are discussed. Special emphasis was placed on the communication between technical personnel and non-technical personnel. The liabilities that affect technical writers were also discussed.

  13. Cybernetica Qualified: Technical vs. Creative Writing.

    ERIC Educational Resources Information Center

    Meis, Ben H.

    1984-01-01

    Discusses the similarities and differences between the kind of writing that is commonly taught in English courses (composition, creative writing) and that taught in technical education classes (technical report writing, technical communications); and between creative and technical writers. (DMM)

  14. Technical Standard For Multigassensors

    NASA Astrophysics Data System (ADS)

    Hübert, Th.; Banach, U.

    2009-05-01

    The guideline draft VDI/VDE 3518 describes the state-of-the-art of multigassensor technology and can support the use of multigassensors by supplying technical specifications and assistance for practical applications. It is divided in 5 parts concerning terms, structure and classification, testing of multigassensors, odor perception with electronic noses, specific applications and hints for appropriate applications. The first part briefly is presented contains and explanations and definitions of important terms, a description of construction and working procedure of multigassensors, a classification according to application categories and functionalities, minimum requirements on multigassensors, characteristic parameters and a scheme for assessment in quality grades.

  15. Technicalities of endoscopic biopsy.

    PubMed

    Tytgat, G N; Ignacio, J G

    1995-11-01

    Despite the wealth of biopsy forceps currently available, it is obvious that there are sufficient drawbacks and shortcomings to reconsider the overall design of the endoscopic biopsy depth, the short lifespan of reusable forceps, damage to the working channel, excessive time consumption, cleaning and disinfection difficulties, etc. Improvements should be possible that approach the same degree of sophistication as is currently available in endoscopic equipment. Fully-automated, repetitive, quickly targeted biopsy sampling should be possible, but it will require the utmost technical ingenuity and expertise to achieve. PMID:8903983

  16. RADTRAN 6 technical manual.

    SciTech Connect

    Weiner, Ruth F.; Neuhauser, Karen Sieglinde; Heames, Terence John; O'Donnell, Brandon M.; Dennis, Matthew L.

    2014-01-01

    This Technical Manual contains descriptions of the calculation models and mathematical and numerical methods used in the RADTRAN 6 computer code for transportation risk and consequence assessment. The RADTRAN 6 code combines user-supplied input data with values from an internal library of physical and radiological data to calculate the expected radiological consequences and risks associated with the transportation of radioactive material. Radiological consequences and risks are estimated with numerical models of exposure pathways, receptor populations, package behavior in accidents, and accident severity and probability.

  17. RADTRAN 6 Technical Manual

    SciTech Connect

    Weiner, Ruth F.; Neuhauser, Karen Sieglinde; Heames, Terence John; O'Donnell, Brandon M.; Dennis, Matthew L.

    2014-01-01

    This Technical Manual contains descriptions of the calculation models and mathematical and numerical methods used in the RADTRAN 6 computer code for transportation risk and consequence assessment. The RADTRAN 6 code combines user-supplied input data with values from an internal library of physical and radiological data to calculate the expected radiological consequences and risks associated with the transportation of radioactive material. Radiological consequences and risks are estimated with numerical models of exposure pathways, receptor populations, package behavior in accidents, and accident severity and probability.

  18. Final Technical Report

    SciTech Connect

    Sobecky, Patricia A; Taillefert, Martial

    2013-03-29

    This final technical report describes results and findings from a research project to examine the role of microbial phosphohydrolase enzymes in naturally occurring subsurface microorganisms for the purpose of promoting the immobilization of the radionuclide uranium through the production of insoluble uranium phosphate minerals. The research project investigated the microbial mechanisms and the physical and chemical processes promoting uranium biomineralization and sequestration in oxygenated subsurface soils. Uranium biomineralization under aerobic conditions can provide a secondary biobarrier strategy to immobilize radionuclides should the metal precipitates formed by microbial dissimilatory mechanisms remobilize due to a change in redox state.

  19. Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations

    NASA Astrophysics Data System (ADS)

    Malshe, M.; Narulkar, R.; Raff, L. M.; Hagan, M.; Bukkapatnam, S.; Agrawal, P. M.; Komanduri, R.

    2009-05-01

    A general method for the development of potential-energy hypersurfaces is presented. The method combines a many-body expansion to represent the potential-energy surface with two-layer neural networks (NN) for each M-body term in the summations. The total number of NNs required is significantly reduced by employing a moiety energy approximation. An algorithm is presented that efficiently adjusts all the coupled NN parameters to the database for the surface. Application of the method to four different systems of increasing complexity shows that the fitting accuracy of the method is good to excellent. For some cases, it exceeds that available by other methods currently in literature. The method is illustrated by fitting large databases of ab initio energies for Sin(n =3,4,…,7) clusters obtained from density functional theory calculations and for vinyl bromide (C2H3Br) and all products for dissociation into six open reaction channels (12 if the reverse reactions are counted as separate open channels) that include C-H and C-Br bond scissions, three-center HBr dissociation, and three-center H2 dissociation. The vinyl bromide database comprises the ab initio energies of 71 969 configurations computed at MP4(SDQ) level with a 6-31G(d,p) basis set for the carbon and hydrogen atoms and Huzinaga's (4333/433/4) basis set augmented with split outer s and p orbitals (43321/4321/4) and a polarization f orbital with an exponent of 0.5 for the bromine atom. It is found that an expansion truncated after the three-body terms is sufficient to fit the Si5 system with a mean absolute testing set error of 5.693×10-4 eV. Expansions truncated after the four-body terms for Sin(n =3,4,5) and Sin(n =3,4,…,7) provide fits whose mean absolute testing set errors are 0.0056 and 0.0212 eV, respectively. For vinyl bromide, a many-body expansion truncated after the four-body terms provides fitting accuracy with mean absolute testing set errors that range between 0.0782 and 0.0808 eV. These

  20. Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.

    PubMed

    Tandon, Santokh S; Bunge, Scott D; Toth, Sara A; Sanchiz, Joaquin; Thompson, Laurence K; Shelley, Jacob T

    2015-07-20

    overall antiferromagnetic exchange interaction between six copper(II) centers. In 1, 3, and 5 the BO3(3-) moiety is produced in one step (synthetic) by an unusual copper(II)-macrocycle complex catalyzed hydrolysis of BF4(-) ion in methanol. In 2 and 4 the central species (BO3(3-)) comes from boric acid (H3BO3) which is added to reaction mixture of Cu(ClO4)2/H6L4/H6L5 under inert conditions to confirm the identity of the central species. PMID:26113440

  1. Reactions of nitroxides XIII: Synthesis of the Morita–Baylis–Hillman adducts bearing a nitroxyl moiety using 4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl as a starting compound, and DABCO and quinuclidine as catalysts

    PubMed Central

    2012-01-01

    Summary The Morita–Baylis–Hillman adducts bearing a nitroxyl moiety were synthesized from 4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl and aliphatic, aryl and heterocyclic aldehydes. PMID:23019486

  2. Mechanical Engineering Department Technical Review

    SciTech Connect

    Carr, R.B.; Denney, R.M.

    1981-07-01

    The Mechanical Engineering Department Technical Review is published to inform readers of various technical activities within the Department, promote exchange of ideas, and give credit to personnel who are achieving the results. The report is presented in two parts: technical achievements and publication abstracts. The first is divided into seven sections, each of which reports on an engineering division and its specific activities related to nuclear tests, nuclear explosives, weapons, energy systems, engineering sciences, magnetic fusion, and materials fabrication.

  3. Mechanical Engineering Department. Technical review

    SciTech Connect

    Simecka, W.B.; Condouris, R.A.; Talaber, C.

    1980-01-01

    The Mechanical Engineering Department Technical Review is published to (1) inform the readers of various technical activities within the Department, (2) promote exchange of ideas, and (3) give credit to the personnel who are achieving the results. The report is formatted into two parts: technical achievements and publication abstracts. The first is divided into eight sections, one for each Division in the Department providing the reader with the names of the personnel and the Division accomplishing the work.

  4. Mechanical Engineering Department technical abstracts

    SciTech Connect

    Denney, R.M.

    1982-07-01

    The Mechanical Engineering Department publishes listings of technical abstracts twice a year to inform readers of the broad range of technical activities in the Department, and to promote an exchange of ideas. Details of the work covered by an abstract may be obtained by contacting the author(s). Overall information about current activities of each of the Department's seven divisions precedes the technical abstracts.

  5. Mechanical engineering department technical review

    SciTech Connect

    Carr, R.B. Denney, R.M.

    1981-01-01

    The Mechanical Engineering Department Technical Review is published to: (1) inform the readers of various technical activities within the department, (2) promote exchange of ideas, and (3) give credit to the personnel who are achieving the results. The report is formatted into two parts: technical acievements and publication abstracts. The first is divided into eight sections, one for each division in the department providing the reader with the names of the personnel and the division accomplishing the work.

  6. Targeting N-glycan cryptic sugar moieties for broad-spectrum virus neutralization: progress in identifying conserved molecular targets in viruses of distinct phylogenetic origins.

    PubMed

    Wang, Denong; Tang, Jin; Tang, Jiulai; Wang, Lai-Xi

    2015-01-01

    Identifying molecular targets for eliciting broadly virus-neutralizing antibodies is one of the key steps toward development of vaccines against emerging viral pathogens. Owing to genomic and somatic diversities among viral species, identifying protein targets for broad-spectrum virus neutralization is highly challenging even for the same virus, such as HIV-1. However, viruses rely on host glycosylation machineries to synthesize and express glycans and, thereby, may display common carbohydrate moieties. Thus, exploring glycan-binding profiles of broad-spectrum virus-neutralizing agents may provide key information to uncover the carbohydrate-based virus-neutralizing epitopes. In this study, we characterized two broadly HIV-neutralizing agents, human monoclonal antibody 2G12 and Galanthus nivalis lectin (GNA), for their viral targeting activities. Although these agents were known to be specific for oligomannosyl antigens, they differ strikingly in virus-binding activities. The former is HIV-1 specific; the latter is broadly reactive and is able to neutralize viruses of distinct phylogenetic origins, such as HIV-1, severe acute respiratory syndrome coronavirus (SARS-CoV), and human cytomegalovirus (HCMV). In carbohydrate microarray analyses, we explored the molecular basis underlying the striking differences in the spectrum of anti-virus activities of the two probes. Unlike 2G12, which is strictly specific for the high-density Man9GlcNAc2Asn (Man9)-clusters, GNA recognizes a number of N-glycan cryptic sugar moieties. These include not only the known oligomannosyl antigens but also previously unrecognized tri-antennary or multi-valent GlcNAc-terminating N-glycan epitopes (Tri/m-Gn). These findings highlight the potential of N-glycan cryptic sugar moieties as conserved targets for broad-spectrum virus neutralization and suggest the GNA-model of glycan-binding warrants focused investigation. PMID:25774492

  7. The effect of albumin on podocytes: The role of the fatty acid moiety and the potential role of CD36 scavenger receptor

    SciTech Connect

    Pawluczyk, I.Z.A.; Pervez, A.; Ghaderi Najafabadi, M.; Saleem, M.A.; Topham, P.S.

    2014-08-15

    Evidence is emerging that podocytes are able to endocytose proteins such as albumin using kinetics consistent with a receptor-mediated process. To date the role of the fatty acid moiety on albumin uptake kinetics has not been delineated and the receptor responsible for uptake is yet to be identified. Albumin uptake studies were carried out on cultured human podocytes exposed to FITC-labelled human serum albumin either carrying fatty acids (HSA{sub +FA}) or depleted of them (HSA{sub −FA}). Receptor-mediated endocytosis of FITC-HSA{sub +FA} over 60 min was 5 times greater than that of FITC-HSA{sub −FA}. 24 h exposure of podocytes to albumin up-regulated nephrin expression and induced the activation of caspase-3. These effects were more pronounced in response to HSA{sub −FA.} Individually, anti-CD36 antibodies had no effect upon endocytosis of FITC-HSA. However, a cocktail of 2 antibodies reduced uptake by nearly 50%. Albumin endocytosis was enhanced in the presence of the CD36 specific inhibitor sulfo-N-succinimidyl oleate (SSO) while knock-down of CD36 using CD36siRNA had no effect on uptake. These data suggest that receptor-mediated endocytosis of albumin by podocytes is regulated by the fatty acid moiety, although, some of the detrimental effects are induced independently of it. CD36 does not play a direct role in the uptake of albumin. - Highlights: • The fatty acid moiety is essential for receptor mediated endocytosis of albumin. • Fatty acid depleted albumin is more pathogenic to podocytes. • CD36 is not directly involved in albumin uptake by podocytes.

  8. D-D-π-A organic dyes containing 4,4'-di(2-thienyl)triphenylamine moiety for efficient dye-sensitized solar cells.

    PubMed

    Zhang, Ming-Dao; Xie, Hai-Xian; Ju, Xue-Hai; Qin, Ling; Yang, Qing-Xiang; Zheng, He-Gen; Zhou, Xing-Fu

    2013-01-14

    Dye-sensitized solar cells (DSSCs) are currently under intense academic and industrial investigations, because of their environmentally-friendly, efficient, and low-cost features. The photosensitizer plays a key role in determining DSSCs' performance. The 4,4'-di(2-thienyl)triphenylamine moiety, included in dye TTC102, has been demonstrated before as a novel and efficient electron donor fragment. In this paper, the oversimple π-conjugated bridge of TTC102 was replaced by a 9-ethyl-3,6-di(2-thiophenyl)carbazole moiety. Two new D-D-π-A sensitizers, named TTC104 and TTC105, were synthesized and fully characterized. After anchoring on TiO(2) nanoparticle film, the absorption band of TTC104 is broader by 30 nm than that of TTC102. Under AM 1.5G irradiation, the energy conversion efficiency (η) of a DSSC based on TTC104 reaches 6.36%, which is 21.6% higher than that of TTC102 (5.24%). The results above demonstrate that the photovoltaic performance can be improved after introducing the 9-ethyl-3,6-di(2-thiophenyl)carbazole moiety to TTC102 when employed in DSSCs. Dye TTC105, containing a pyridyl group as the electron acceptor, showed only 1.88% conversion efficiency (η) when used in DSSCs. The huge different performances of TTC104 and TTC105 are proved to be partly due to the smaller dye loading amount, higher dark current and charge recombination rate of TTC105. PMID:23187831

  9. Final Technical Report

    SciTech Connect

    Eckerlin, H, M, PhD PE; Leach, J, W, PhD PE; Terry, S, D, PhD PE

    2007-02-28

    The Industrial Assessment Center program at North Carolina State University has conducted one hundred industrial assessments of small and medium sized manufacturers in North Carolina, South Carolina, and Virginia. Reports were submitted to each facility that included a brief description of the plant, historical energy use, and a technical analysis of potential energy efficiency savings, waste reduction, and productivity savings. Seven hundred thirty eight conservation measures were recommended with total annual cost savings in excess of $18 million. The NCSU IAC has worked with other government and private entities to deliver energy efficiency and conservation services. We have worked closely with the NCSU Industrial Extension Service, the Manufacturer’s Extension Partnership (MEP), and the North Carolina State Energy Office to provide follow-up technical help and financial assistance in implementing conservation recommendations. In addition to these organizations, the NCSU IAC has also worked with the NC Department of Pollution Prevention and Environmental Assistance, the NC Solar Center, Advanced Energy Corporation, Duke Power, Progress Energy, Dominion Power, and the City of Danville, Virginia. Eighteen undergraduate and twenty graduate students were exposed to a variety of manufacturing processes, trained on plant safety, and taught the use of various types of data collection equipment. The students performed technical analyses of each recommendation, computed the potential savings from engineering relations and collected data, estimated the cost from vendor information, and communicated the findings in a compact, well written report to the client. The students have also been exposed to a variety of business personnel, including corporate presidents, engineering managers, plant managers, plant engineers, facility maintenance staff, and production workers – each with a unique perspective on the challenges faced in a modern manufacturing facility. The program

  10. Naquihexcin A, a S-Bridged Pyranonaphthoquinone Dimer Bearing an Unsaturated Hexuronic Acid Moiety from a Sponge-Derived Streptomyces sp. HDN-10-293.

    PubMed

    Che, Qian; Tan, Hongsheng; Han, Xiaoning; Zhang, Xiaomin; Gu, Qianqun; Zhu, Tianjiao; Li, Dehai

    2016-07-15

    S-Bridged pyranonaphthoquinone dimers, naquihexcins A and B (1 and 2), together with a related analogue (-)-BE-52440A (3) were obtained from the culture of a sponge-derived Streptomyces sp. HDN-10-293. Naquihexcin A (1) bears a rare unsaturated hexuronic acid moiety, and (-)-BE-52440A (3) has been discovered from natural resources. Compound 3 showed cytotoxicity against NB4 and HL-60 cells, while 1 could inhibit the proliferation of the adriamycin resistant human breast cancer cell line MCF-7 ADM. PMID:27341525

  11. Comparison of the effect of aspirin and choline magnesium trisalicylate on thromboxane biosynthesis in human platelets: role of the acetyl moiety.

    PubMed

    Danesh, B J; McLaren, M; Russell, R I; Lowe, G D; Forbes, C D

    1989-01-01

    Parameters of platelet thromboxane biosynthesis were measured 24 h after ingestion of equivalent salicylate doses (500 mg) of aspirin (ASA) and choline magnesium trisalicylate (CMT), a non-acetylated salicylate. In random order, 10 healthy volunteers received these drugs on 2 separate days, 2 weeks apart. While ASA significantly prolonged bleeding time, and decreased plasma thromboxane generation and serum thromboxane B2 levels, CMT failed to produce such effects. Thus CMT, which lacks an acetyl moiety in its structure, has no inhibitory effect on platelet thromboxane biosynthesis, and may therefore be considered safer than ASA for therapeutic use, when inhibition of platelet function can be hazardous. PMID:2744633

  12. A New Metabolite with a Unique 4-Pyranone-γ-Lactam-1,4-Thiazine Moiety from a Hawaiian-Plant Associated Fungus.

    PubMed

    Li, Chun-Shun; Ding, Yuanqing; Yang, Bao-Jun; Miklossy, Gabriella; Yin, Hong-Quan; Walker, Larry A; Turkson, James; Cao, Shugeng

    2015-07-17

    An endophytic fungus Paraphaeosphaeria neglecta FT462 isolated from the Hawaiian-plant Lycopodiella cernua (L.) Pic. Serm produced one unusual compound (1, paraphaeosphaeride A) with the 4-pyranone-γ-lactam-1,4-thiazine moiety, along with two new compounds (2 and 3, paraphaeosphaerides B and C, respectively) and the known compound (4). Compounds 1-3 were characterized by NMR and MS spectroscopic analysis. The absolute configuration of the 3-position of compound 1 was determined as S by electronic circular dichroism (ECD) calculations. Compound 3 also showed STAT3 inhibition at 10 μM. PMID:26107089

  13. Four new phenolic acid with unusual bicycle [2.2.2] octane moiety from Clerodendranthus spicatus and their anti-inflammatory activity.

    PubMed

    Ma, Guo-Xu; Zhang, Xiao-Po; Li, Peng-Fei; Sun, Zhong-Hao; Zhu, Nai-Liang; Zhu, Yin-Di; Yang, Jun-Shan; Chen, De-Li; Wu, Hai-Feng; Xu, Xu-Dong

    2015-09-01

    Four new phenolic acids, clerodens A-D (1-4) possessing an unusual bicycle [2.2.2] octane moiety were isolated from the whole plants of Clerodendranthus spicatus. Their structures were elucidated by extensive spectroscopic methods, including NMR, MS, and ECD data. All isolates were evaluated for their anti-inflammatory activities on lipopolysaccharide (LPS)-induced nitric oxide (NO) production in RAW 264.7, and compound 4 showed significant inhibitory activities with IC50 value of 6.8 μM. PMID:26073946

  14. Site-selective chemical modification of chymotrypsin using peptidyl derivatives bearing optically active diphenyl 1-amino-2-phenylethylphosphonate: Stereochemical effect of the diphenyl phosphonate moiety.

    PubMed

    Ono, Shin; Nakai, Takahiko; Kuroda, Hirofumi; Miyatake, Ryuta; Horino, Yoshikazu; Abe, Hitoshi; Umezaki, Masahito; Oyama, Hiroshi

    2016-11-01

    Diphenyl (α-aminoalkyl)phosphonates act as mechanism-based inhibitors against serine proteases by forming a covalent bond with the hydroxy group of the active center Ser residue. Because the covalent bond was found to be broken and replaced by 2-pyridinaldoxime methiodide (2PAM), we employed a peptidyl derivative bearing diphenyl 1-amino-2-phenylethylphosphonate moiety (Phe(p) (OPh)2 ) to target the active site of chymotrypsin and to selectively anchor to Lys175 in the vicinity of the active site. Previously, it was reported that the configuration of the α-carbon of phosphorus in diphenyl (α-aminoalkyl)phosphonates affects the inactivation reaction of serine proteases, i.e., the (R)-enantiomeric diphenyl phosphonate is comparable to l-amino acids and it effectively reacts with serine proteases, whereas the (S)-enantiomeric form does not. In this study, we evaluated the stereochemical effect of the phosphonate moiety on the selective chemical modification. Epimeric dipeptidyl derivatives, Ala-(R or S)-Phe(p) (OPh)2 , were prepared by separation with RP-HPLC. A tripeptidyl (R)-epimer (Ala-Ala-(R)-Phe(p) (OPh)2 ) exhibited a more potent inactivation ability against chymotrypsin than the (S)-epimer. The enzyme inactivated by the (R)-epimer was more effectively reactivated with 2PAM than the enzyme inactivated by the (S)-epimer. Finally, N-succinimidyl (NHS) active ester derivatives, NHS-Suc-Ala-Ala- (R or S)-Phe(p) (OPh)2 , were prepared, and we evaluated their action when modifying Lys175 in chymotrypsin. We demonstrated that the epimeric NHS derivative that possessed the diphenyl phosphonate moiety with the (R)-configuration effectively modified Lys175 in chymotrypsin, whereas that with the (S)-configuration did not. These results demonstrate the utility of peptidyl derivatives that bear an optically active diphenyl phosphonate moiety as affinity labeling probes in protein bioconjugation. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 521-530, 2016

  15. An electronic state of the chromophore, phycocyanobilin, and its interaction with the protein moiety in C-phycocyanin: protonation of the chromophore

    NASA Astrophysics Data System (ADS)

    Kikuchi, Hiroto; Sugimoto, Tohru; Mimuro, Mamoru

    1997-08-01

    An electronic state of phycocyanobilin (PCB, a derivative of an open tetrapyrrole) in C-phycocyanin, an antenna pigment-protein complex for photosynthesis, was estimated by including the effect of an electrostatic field of protein moieties and water molecules. We adapted our unique method for calculation of the resonance integral. The observed absorption wavelength and an oscillator strength were reproduced only when the PCB was assigned to the protonated form with a net charge of 1. This was rationalized by the negative charge of a specific aspartate residue which was equidistant from the two nitrogen atoms of two central pyrrole rings.

  16. REGIONAL MANUFACTURING TECHNICAL DEVELOPMENT

    SciTech Connect

    EASON, H.A.

    1997-02-21

    This project covers four CRADAS (Cooperative Research and Development Agreements) which were initiated in 1991 and 1993. The two CRADAS with the state of Tennessee and the state of Florida were to provide technical assistance to small manufacturers in those states and the CRADA with the Tennessee Technology Foundation was to engage in joint economic development activities within the state. These three CRADAS do not fit the traditional definition of CRADAS and would be administered by other agreement mechanisms, today. But in these early days of technology transfer efforts, the CRADA mechanism was already developed and usable. The CRADA with Coors Ceramics is a good example of a CRADA and was used to develop nondestructive testing technology for ceramic component inspection. The report describes the background of this project, its economic impact, and its benefits to the U. S. Department of Energy.

  17. Technical Report - FINAL

    SciTech Connect

    Barbara Luke, Director, UNLV Engineering Geophysics Laboratory

    2007-04-25

    Improve understanding of the earthquake hazard in the Las Vegas Valley and to assess the state of preparedness of the area's population and structures for the next big earthquake. 1. Enhance the seismic monitoring network in the Las Vegas Valley 2. Improve understanding of deep basin structure through active-source seismic refraction and reflection testing 3. Improve understanding of dynamic response of shallow sediments through seismic testing and correlations with lithology 4. Develop credible earthquake scenarios by laboratory and field studies, literature review and analyses 5. Refine ground motion expectations around the Las Vegas Valley through simulations 6. Assess current building standards in light of improved understanding of hazards 7. Perform risk assessment for structures and infrastructures, with emphasis on lifelines and critical structures 8. Encourage and facilitate broad and open technical interchange regarding earthquake safety in southern Nevada and efforts to inform citizens of earthquake hazards and mitigation opportunities

  18. LLNL 1981: technical horizons

    SciTech Connect

    Not Available

    1981-07-01

    Research programs at LLNL for 1981 are described in broad terms. In his annual State of the Laboratory address, Director Roger Batzel projected a $481 million operating budget for fiscal year 1982, up nearly 13% from last year. In projects for the Department of Energy and the Department of Defense, the Laboratory applies its technical facilities and capabilities to nuclear weapons design and development and other areas of defense research that include inertial confinement fusion, nonnuclear ordnances, and particle-beam technology. LLNL is also applying its unique experience and capabilities to a variety of projects that will help the nation meet its energy needs in an environmentally acceptable manner. A sampling of recent achievements by LLNL support organizations indicates their diversity. (GHT)

  19. FINAL/ SCIENTIFIC TECHNICAL REPORT

    SciTech Connect

    McDonald, Henry; Singh, Suminderpal

    2006-08-28

    The overall objective of the Chattanooga fuel cell demonstrations project was to develop and demonstrate a prototype 5-kW grid-parallel, solid oxide fuel cell (SOFC) system that co-produces hydrogen, based on Ion America’s technology. The commercial viability of the 5kW SOFC system was tested by transporting, installing and commissioning the SOFC system at the Alternative Energy Laboratory at the University of Tennessee – Chattanooga. The system also demonstrated the efficiency and the reliability of the system running on natural gas. This project successfully contributed to the achievement of DOE technology validation milestones from the Technology Validation section of the Hydrogen, Fuel Cells and Infrastructure Technologies Program Multi-Year Research, Development and Demonstration Plan. Results of the project can be found in the final technical report.

  20. Technical applications of aerogels

    SciTech Connect

    Hrubesh, L.W.

    1997-08-18

    Aerogel materials posses such a wide variety of exceptional properties that a striking number of applications have developed for them. Many of the commercial applications of aerogels such as catalysts, thermal insulation, windows, and particle detectors are still under development and new application as have been publicized since the ISA4 Conference in 1994: e.g.; supercapacitors, insulation for heat storage in automobiles, electrodes for capacitive deionization, etc. More applications are evolving as the scientific and engineering community becomes familiar with the unusual and exceptional physical properties of aerogels, there are also scientific and technical application, as well. This paper discusses a variety of applications under development at Lawrence Livermore National Laboratory for which several types of aerogels are formed in custom sizes and shapes. Particular discussions will focus on the uses of aerogels for physics experiments which rely on the exceptional, sometimes unique, properties of aerogels.

  1. Final Technical Report

    SciTech Connect

    John Tanis

    2005-11-25

    This document comprises the final technical report for atomic collisions research supported by DOE grant No. DE-FG02-87ER13778 from September 1, 2001 through August 31, 2004. The research involved the experimental investigation of excitation and charge-changing processes occurring in ion-atom and ion-molecule collisions. Major emphases of the study were: (1) interference effects resulting from coherent electron emission in H2, (2) production of doubly vacant K-shell (hollow ion) states due to electron correlation, and (3) formation of long-lived metastable states in electron transfer processes. During the period of the grant, this research resulted in 23 publications, 12 invited presentations, and 39 contributed presentations at national and international meetings and other institutions. Brief summaries of the completed research are presented below.

  2. Predictors of employer satisfaction: technical and non-technical skills.

    PubMed

    Danielson, Jared A; Wu, Tsui-Feng; Fales-Williams, Amanda J; Kirk, Ryan A; Preast, Vanessa A

    2012-01-01

    Employers of 2007-2009 graduates from Iowa State University College of Veterinary Medicine were asked to respond to a survey regarding their overall satisfaction with their new employees as well as their new employees' preparation in several technical and non-technical skill areas. Seventy-five responses contained complete data and were used in the analysis. Four technical skill areas (data collection, data interpretation, planning, and taking action) and five non-technical skill areas (interpersonal skills, ability to deal with legal issues, business skills, making referrals, and problem solving) were identified. All of the skill area subscales listed above had appropriate reliability (Cronbach's alpha>0.70) and were positively and significantly correlated with overall employer satisfaction. Results of two simultaneous regression analyses indicated that of the four technical skill areas, taking action is the most salient predictor of employer satisfaction. Of the five non-technical skill areas, interpersonal skills, business skills, making referrals, and problem solving were the most important skills in predicting employer satisfaction. Hierarchical regression analysis revealed that all technical skills explained 25% of the variation in employer satisfaction; non-technical skills explained an additional 42% of the variation in employer satisfaction. PMID:22433741

  3. Does Being Technical Matter? XML, Single Source, and Technical Communication.

    ERIC Educational Resources Information Center

    Sapienza, Filipp

    2002-01-01

    Describes XML, a recent Web design language that will enable technical communicators to produce documentation that can reuse information and present it across multiple types of media for diverse audiences. Argues that XML requires more interdisciplinary approaches toward the teaching and research of technical communication, particularly with…

  4. Aligning Career and Technical Education

    ERIC Educational Resources Information Center

    Workman, Ed; Stubbs, Joyce

    2011-01-01

    The issues and concerns facing Kentucky Career and Technical Teacher Education (KY CTTE), university teacher educators and state department Career and Technical Education (CTE) leaders in providing and preparing the best CTE teachers possible are not unique to Kentucky. In an effort to better understand these issues and concerns a team of state…

  5. EDI and the Technical Communicator.

    ERIC Educational Resources Information Center

    Eiler, Mary Ann

    1994-01-01

    Assesses the role of technical communicators in electronic data interchange (EDI). Argues that, as experts in information design, human factors, instructional theory, and professional writing, technical communicators should be advocates of standard documentation protocols and should rethink the traditional concepts of "document" to include a…

  6. Technical Documentation and Legal Liability.

    ERIC Educational Resources Information Center

    Caher, John M.

    1995-01-01

    States that litigation over the interpretation and sufficiency of technical documentation is increasingly common as a number of suits have been filed in state and federal courts. Describes the case of "Martin versus Hacker," a recent case in which New York's highest court analyzed a technical writer's prose in the context of a lawsuit over a…

  7. The 1996 NAEP Technical Report.

    ERIC Educational Resources Information Center

    Allen, Nancy L.; Carlson, James E.; Zelenak, Christine A.

    This report documents the design, administration, and data analysis procedure of the National Assessment of Education Progress (NAEP) for 1996. It indicates the technical decisions that were made and the rationale behind them. Detailed substantive findings are not presented in this report. These chapters provide technical information about the…

  8. Building a Technical Communication Program.

    ERIC Educational Resources Information Center

    Pearsall, Thomas E.

    According to the 1980-81 edition of the "Occupational Outlook Handbook," the market for graduates of technical communication programs is good and likely to get better during the 1980s, especially in the areas of electronics and computer and environmental science. The first step in setting up a technical communication program at a college or…

  9. Grid Interaction Technical Team Roadmap

    SciTech Connect

    2013-06-01

    The mission of the Grid Interaction Technical Team (GITT) is to support a transition scenario to large scale grid-connected vehicle charging with transformational technology, proof of concept and information dissemination. The GITT facilitates technical coordination and collaboration between vehicle-grid connectivity and communication activities among U.S. DRIVE government and industry partners.

  10. Scientific and Technical Document Database

    National Institute of Standards and Technology Data Gateway

    NIST Scientific and Technical Document Database (PC database for purchase)   The images in NIST Special Database 20 contain a very rich set of graphic elements from scientific and technical documents, such as graphs, tables, equations, two column text, maps, pictures, footnotes, annotations, and arrays of such elements.

  11. How to Read Technical Textbooks.

    ERIC Educational Resources Information Center

    Association of American Publishers, New York, NY.

    Intended for college bound students, this booklet explores textbook components to help students in their approach to studying technical information. After defining technical material and describing how to recognize it, the booklet discusses (1) symbols, (2) equations, (3) formulas, (4) theorems, (5) placement of symbols in textbooks, (6) tables,…

  12. Increasing the Stability of DNA:RNA Duplexes by Introducing Stacking Phenyl-Substituted Pyrazole, Furan, and Triazole Moieties in the Major Groove.

    PubMed

    Hornum, Mick; Kumar, Pawan; Podsiadly, Patricia; Nielsen, Poul

    2015-10-01

    Consecutive incorporations of our previously published thymidine analogue, 5-(1-phenyl-1H-1,2,3-triazol-4-yl)-2'-deoxyuridine monomer W in oligonucleotides, has demonstrated significant duplex-stabilizing properties due to its efficient staking properties in the major groove of DNA:RNA duplexes. The corresponding 2'-deoxycytidine analogue is not as well-accommodated in duplexes, however, due to its clear preference for the ring-flipped coplanar conformation. In our present work, we have used ab initio calculations to design two new building blocks, 5-(5-phenylfuran-2-yl)-2'-deoxycytidine monomer Y and 5-(1-phenyl-1H-pyrazol-3-yl)-2'-deoxycytidine monomer Z, that emulate the conformation of W. These monomers were synthesized by Suzuki-Miyaura couplings, and the pyrazole moiety was obtained in a cycloaddition from N-phenylsydnone. We show that the novel analogues Y and Z engage in efficient stacking either with themselves or with W due to a better overlap of the aromatic moieties. Importantly, we demonstrate that this translates into very thermally stable DNA:RNA duplexes, thus making Y and especially Z good candidates for improving the binding affinities of oligonucleotide-based therapeutics. Since we now have both efficiently stacking T and C analogues in hand, any purine rich stretch can be effectively targeted using these simple analogues. Notably, we show that the introduction of the aromatic rings in the major groove does not significantly change the helical geometry. PMID:26334359

  13. Thermodynamic Analysis of the Selectivity Enhancement Obtained by Using Smart Hydrogels That Are Zwitterionic When Detecting Glucose With Boronic Acid Moieties

    PubMed Central

    Horkay, F.; Cho, S. H.; Tathireddy, P.; Rieth, L.; Solzbacher, F.; Magda, J.

    2011-01-01

    Because the boronic acid moiety reversibly binds to sugar molecules and has low cytotoxicity, boronic acid-containing hydrogels are being used in a variety of implantable glucose sensors under development, including sensors based on optical, fluorescence, and swelling pressure measurements. However, some method of glucose selectivity enhancement is often necessary, because isolated boronic acid molecules have a binding constant with glucose that is some forty times smaller than their binding constant with fructose, the second most abundant sugar in the human body. In many cases, glucose selectivity enhancement is obtained by incorporating pendant tertiary amines into the hydrogel network, thereby giving rise to a hydrogel that is zwitterionic at physiological pH. However, the mechanism by which incorporation of tertiary amines confers selectivity enhancement is poorly understood. In order to clarify this mechanism, we use the osmotic deswelling technique to compare the thermodynamic interactions of glucose and fructose with a zwitterionic smart hydrogel containing boronic acid moieties. We also investigate the change in the structure of the hydrogel that occurs when it binds to glucose or to fructose using the technique of small angle neutron scattering. PMID:22190765

  14. Synthesis, antitumor activity and mechanism of action of novel 1,3-thiazole derivatives containing hydrazide-hydrazone and carboxamide moiety.

    PubMed

    He, Haifeng; Wang, Xiaoyan; Shi, Liqiao; Yin, Wenyan; Yang, Ziwen; He, Hongwu; Liang, Ying

    2016-07-15

    A series of novel 2,4,5-trisubstituted 1,3-thiazole derivatives containing hydrazide-hydrazine, and carboxamide moiety including 46 compounds T were synthesized, and evaluated for their antitumor activity in vitro against a panel of five human cancer cell lines. Eighteen title compounds T displayed higher inhibitory activity than that of 5-Fu against MCF-7, HepG2, BGC-823, Hela, and A549 cell lines. Especially, T1, T26 and T38 exhibit best cytotoxic activity with IC50 values of 2.21μg/mL, 1.67μg/mL and 1.11μg/mL, against MCF-7, BCG-823, and HepG2 cell lines, respectively. These results suggested that the combination of 1,3-thiazole, hydrazide-hydrazone, and carboxamide moiety was much favorable to cytotoxicity activity. Furthermore, the flow cytometry analysis revealed that compounds T1 and T38 could induce apoptosis in HepG2 cells, and it was confirmed T38 led the induction of cell apoptosis by S cell-cycle arrest. PMID:27262600

  15. Design, synthesis, biological evaluation and preliminary mechanism study of novel benzothiazole derivatives bearing indole-based moiety as potent antitumor agents.

    PubMed

    Ma, Junjie; Bao, Guanglong; Wang, Limei; Li, Wanting; Xu, Boxuan; Du, Baoquan; Lv, Jie; Zhai, Xin; Gong, Ping

    2015-01-01

    Through a structure-based molecular hybridization approach, a series of novel benzothiazole derivatives bearing indole-based moiety were designed, synthesized and screened for in vitro antitumor activity against four cancer cell lines (HT29, H460, A549 and MDA-MB-231). Most of them showed moderate to excellent activity against all the tested cell lines. Among them, compounds 20a-w with substituted benzyl-1H-indole moiety showed better selectivity against HT29 cancer cell line than other compounds. Compound 20d exhibited excellent antitumor activity with IC50 values of 0.024, 0.29, 0.84 and 0.88 μM against HT29, H460, A549 and MDA-MB-231, respectively. Further mechanism studies indicated that the marked pharmacological activity of compound 20d might be ascribed to activation of procaspase-3 (apoptosis-inducing) and cell cycle arrest, which had emerged as a lead for further structural modifications. Furthermore, 3D-QSAR model (training set: q(2) = 0.850, r(2) = 0.987, test set: r(2) = 0.811) was built to provide a comprehensive guide for further structural modification and optimization. PMID:25874341

  16. Synthesis and anticancer activity of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives bearing chromone moiety.

    PubMed

    Sun, Chengyu; Chen, Chen; Xu, Shan; Wang, Jianqiang; Zhu, Yan; Kong, Dejia; Tao, Hong; Jin, Mengjia; Zheng, Pengwu; Zhu, Wufu

    2016-08-15

    Herein, we designed and synthesized of a novel series of 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives bearing chromone moiety (10a-j, 13a-j). All the compounds were evaluated for the IC50 values against five cancer cell lines (A549, PC-3, MCF-7, Hela and HepG2). Seven of the target compounds exhibited moderate to excellent cytotoxicity. For these compounds, we tested their inhibitory activities against mTOR kinase, and four of them were tested their inhibitory activities against PI3Kα kinase in further. The results indicated that the optimized compound 10j showed excellent inhibitory activity and cytotoxicity against mTOR kinase, PI3Kα kinase and five cancer cell lines with IC50 values of 1.1μM, 0.92μM and 8.77-14.3μM. Structure-activity relationships (SARs) and docking studies indicated that the thiopyrano[4,3-d]pyrimidine scaffolds exerted little effect on antitumor activities of target compounds. Substitutions of chromone moiety at C-6 position with carboxyl were benefit to the antitumor activities. PMID:27353887

  17. Conjugation of Methotrexate-Amino Derivatives to Macromolecules through Carboxylate Moieties Is Superior Over Conventional Linkage to Amino Residues: Chemical, Cell-Free and In Vitro Characterizations

    PubMed Central

    Cooper, Itzik; Fridkin, Mati; Shechter, Yoram

    2016-01-01

    In this study, we examined the possibility of introducing methotrexate (MTX) to the carboxylate rather than to the ε-amino side chains of proteins. We found that MTX—amino compounds covalently linked to the carboxylate moieties of macromolecules, undergo unusual peptide-bond cleavage, with the release of the MTX amino derivatives from the conjugates. This event takes place at an accelerated rate under acidic conditions, and at a slower rate at physiological pH values. The glutamate portion of MTX is responsible for this behavior, with little or no contribution of the p-aminobenzoate-pteridine ring that is linked to the α-amino side chain of the glutamate. Carboxylate-linked Fmoc-Glu-γ-CONH-(CH2)6-NH2 undergoes hydrolysis in a nearly indistinguishable fashion. A free α carboxylate moiety is essential for this effect. Carboxylate linked Fmoc-glutamic-amide-γ-CONH-(CH2)6-NH2 undergoes no hydrolysis under acidic conditions. Based on these findings, we engineered a cysteine specific MTX containing reagent. Its linkage to bovine serum albumin (BSA) yielded a conjugate with profound antiproliferative efficacy in a MTX-sensitive glioma cell line. In conclusion, carboxylate linked MTX-amino derivatives in particular, and carboxylate linked R-α-GLU-γ amino compounds in general are equipped with‘built-in chemical machinery’ that releases them under mild acidic conditions. PMID:27403959

  18. Synthesis and biological evaluation of novel 1,2,4-triazine derivatives bearing carbazole moiety as potent α-glucosidase inhibitors.

    PubMed

    Wang, Guangcheng; Wang, Jing; He, Dianxiong; Li, Xin; Li, Juan; Peng, Zhiyun

    2016-06-15

    A new series of 1,2,4-triazine derivatives bearing carbazole moiety 7a-7p were designed, synthesized, and evaluated for their α-glucosidase inhibitory activity. The majority of the screened compounds displayed potent α-glucosidase inhibitory activity, with IC50 values in the range of 4.27±0.07-47.75±0.25μM as compared to the standard drug acarbose. Among the series, compound 7k represented the most potent α-glucosidase inhibitory activity with IC50 values of 4.27±0.07μM. Kinetic analysis revealed that compound 7k is a non-competitive inhibitor with a Ki of 4.43μM. Furthermore, the binding interactions of compound 7k with α-glucosidase was confirmed through molecular docking. This study showed these 1,2,4-triazine derivatives bearing carbazole moiety as a new class of α-glucosidase inhibitors. PMID:27177827

  19. Metabolism of saikosaponin a in rats: diverse oxidations on the aglycone moiety in liver and intestine in addition to hydrolysis of glycosidic bonds.

    PubMed

    Liu, Guoqiang; Tian, Yuan; Li, Geng; Xu, Lei; Song, Rui; Zhang, Zunjian

    2013-03-01

    The main objective of the present study was to completely characterize the metabolites of the triterpenoid saikosaponin a (SSa) in rats. To this aim, we compared the metabolites in plasma, bile, urine, and feces samples following oral and i.v. routes of administration using liquid chromatography-diode array detector coupled with hybrid ion trap-time-of-flight mass spectrometry. As a result, besides 2 known metabolites, prosaikogenin f and saikogenin f, 15 new metabolites were detected in all. It was found that SSa is metabolized mainly in phase I manner, i.e., hydration and monooxidation on the aglycone moiety and hydrolysis of the β-glucosidic bond in the liver, and sequential hydrolysis of β-glucosidic and β-fucosidic bonds followed by dehydrogenation, hydroxylation, carboxylation, and combinations of these steps on the aglycone moiety in the intestinal tract. Both the renal and biliary routes were observed for the excretion of SSa and its metabolites. Further, a clear metabolic profile in rats was proposed in detail according to the results from the in vivo animal experiment after different routes of administration. Our results update the preclinical metabolism and disposition data on SSa, which is not only helpful for the future human metabolic study of this compound but also provides basic information for better understanding of the efficacy and safety of prescriptions containing saikosaponins. PMID:23277344

  20. Overcoming concealment effects of targeting moieties in the PEG corona: controlled permeable polymersomes decorated with folate-antennae for selective targeting of tumor cells.

    PubMed

    Yassin, Mohamed A; Appelhans, Dietmar; Wiedemuth, Ralf; Formanek, Petr; Boye, Susanne; Lederer, Albena; Temme, Achim; Voit, Brigitte

    2015-04-01

    In the context of diligent efforts to improve the tumor targeting efficiency of drug carriers, a shape-persistent polymersome which possess a pH-tunable membrane as well as folate targeting antennae is reported. The membrane of such polymersomes behaves as gate which undergoes "on" and "off" switches in response to pH stimuli. Thus, polymersomes can effectively prohibit the premature release of chemotherapeutic agents such as doxorubicin in physiological conditions, but promote drug release once they are triggered in the acidified endosomal compartment. Importantly, the folate moieties are installed on the surface of polymersomes as protruding antennae by doping the polymersomes with folate-terminated block copolymers designed to have longer PEG segments. Thereby, the folate moieties are freed from concealment and steric effects exerted by the dense PEG corona. The cellular uptake of the FA-antennae polymersomes by tumor cells is significantly enhanced facilitated by the freely accessible folate antennae; however, the normal cells record a low level of cellular uptake due to the stealth property of the PEG corona. Overall, the excellent biocompatibility, controlled permeability, targeted internalization, as well as selective cytotoxicity of such polymersomes set up the basis for properly smart carrier for targeted drug delivery. PMID:25363281

  1. (Dibenzoylmethanato)boron difluoride derivatives containing triphenylamine moieties: a new type of electron-donor/π-acceptor system for dye-sensitized solar cells.

    PubMed

    Mizuno, Yosuke; Yisilamu, Yilihamu; Yamaguchi, Tomoya; Tomura, Masaaki; Funaki, Takashi; Sugihara, Hideki; Ono, Katsuhiko

    2014-10-01

    (Dibenzoylmethanato)boron difluoride derivatives containing triphenylamine moieties were synthesized as a new type of electron-donor/π-acceptor system. These new compounds exhibited long-wavelength absorptions in the UV/Vis spectra, and reversible oxidation and reduction waves in cyclic voltammetry experiments. Their amphoteric redox properties are based on their resonance hybrid forms, in which a positive charge is delocalized on the triphenylamine moieties and a negative charge is localized on the boron atoms. Molecular orbital (MO) calculations indicate that their HOMO and LUMO energies vary with the number of phenylene rings connected to the difluoroboron-chelating ring. This is useful for optimizing the HOMO and LUMO levels to an iodine redox (I(-)/I3(-)) potential and a titanium dioxide conduction band, respectively. Dye-sensitized solar cells fabricated by using these compounds as dye sensitizers exhibited solar-to-electric power conversion efficiencies of 2.7-4.4 % under AM 1.5 solar light. PMID:25170797

  2. Technical planning activity: Final report

    SciTech Connect

    Not Available

    1987-01-01

    In April 1985, the US Department of Energy's (DOE's) Office of Fusion Energy commissioned the Technical Planning Activity (TPA). The purpose of this activity was to develop a technical planning methodology and prepare technical plans in support of the strategic and policy framework of the Magnetic Fusion Program Plan issued by DOE in February 1985. Although this report represents the views of only the US magnetic fusion community, it is international in scope in the sense that the technical plans contained herein describe the full scope of the tasks that are prerequisites for the commercialization of fusion energy. The TPA has developed a well-structured methodology that includes detailed definitions of technical issues, definitions of program areas and elements, statements of research and development objectives, identification of key decision points and milestones, and descriptions of facility requirements.

  3. Utilizing copper(I) catalyzed azide-alkyne Huisgen 1,3-dipolar cycloaddition for the surface modification of colloidal particles with electroactive and emissive moieties

    NASA Astrophysics Data System (ADS)

    Rungta, Parul

    The development of charge-transporting and fluorescing colloidal particles that can be directly printed into electroluminescent devices may result in a broad impact on the use of electrical energy for illumination. The objective of this work was to design and synthesize electroactive & fluorescing colloidal particles; establish their optical, electronic, and thermodynamic properties; and transition them into a device format for potential applications. The original intended application of this work was to build "better" colloidally-based organic light emitting devices (OLEDs) by creating functional particles with superior electrical and optical performance relative to commercially available technologies, but through the course of the research, the particles that were developed were found to be better suited for medical applications. Nonetheless, the global objective envisioned at the onset of this research was consistent with its final outcomes. The research tasks pursued to accomplish this global objective included: (1) The design and synthesis of electroactive moieties and their conversion into organic light emitting devices; An electron-transporting monomer was synthesized that was structurally & energetically similar to the small molecule 2-biphenyl-4-yl-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (tBu-PBD). The monomer was copolymerized with 2-(9H-carbazol-9-yl)ethyl 2-methylacrylate (CE) and the resulting copolymer was utilized in OLEDs which employed fluorescent coumarin 6 (C6) or phosphorescent tris(2-phenylpyridine)iridium(III) [Ir(ppy)3] emitters. The copolymer devices exhibited a mean luminance of ca. 400 and 3,552 cd/m2 with the C6 and Ir(ppy)3 emitters, that were stable with thermal aging at temperatures ranging from 23°C to 130°C. Comparable poly(9-vinyl-9H-carbazole)/tBu-PBD blend devices exhibited more pronounced variations in performance with thermal aging. (2) The surface-modification of colloids with electroactive & fluorescing moieties via "click

  4. 78 FR 38311 - Reliability Technical Conference Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-26

    ... Energy Regulatory Commission Reliability Technical Conference Agenda Reliability Technical Docket No... Notice of Technical Conference issued on May 7, 2013, the Commission will hold a technical conference on... regarding the matters discussed at the technical conference. Any person or entity wishing to submit...

  5. GEM Technical Design Report

    SciTech Connect

    Not Available

    1993-07-31

    The GEM collaboration was formed in June 1991 to develop a major detector for the SSC. The primary physics objectives of GEM are those central to the motivation for the SSC, to study high p{sub T} physics - exemplified by the search for Higgs bosons - and to search for new physics beyond the standard model. The authors present in this Technical Design Report (TDR) a detector with broad capabilities for the discovery and subsequent study of electroweak symmetry breaking, the origin of mass and flavor, and other physics requiring precise measurements of gammas, electrons, and muons - hence the name, GEM. In addition, as a design goal, they have taken care to provide the robustness needed to do the physics that requires high luminosity. Finally, good coverage and hermeticity allow the detection of missing transverse energy, E{sub T}. The GEM design emphasizes clean identification and high resolution measurement of the primary physics signatures for high p{sub T} physics. The approach is to make precise energy measurements that maximize the sensitivity to rare narrow resonances, to detect the elementary interaction products (quarks, leptons, and photons), and to build in the features required to reduce backgrounds.

  6. Final Technical Report

    SciTech Connect

    Frederick J. Carranti, P.E.

    2008-02-27

    During the contract period noted above, the Syracuse University Industrial Assessment Center conducted 97.5 assessment days for 98 different industrial clients. These assessments developed 818 assessment recommendations with an overall implementation rate of 51 % (AR’s). Total recommended dollar savings for the period was $17,386,758.00, with $8,893,212.00 actually implemented, for a dollar implementation rate of 57%. The Center employed a total of sixteen undergraduate interns throughout the contract period. Nine of these students stayed on at Syracuse University for graduate study with Center support; five students pursued graduate study at other universities. Ten of these students have, or will, accept professional positions in the energy consulting field. The Center has successfully engaged with a wide variety of professional and development organizations, including the Manufacturers Association of Central New York, The Central New York Technical Development Organization, (the local MEP), the New York State Energy Research and Development Authority, The New York Power Authority, the Onondaga County Citizens Energy Committee, and the New York State Center of Excellence on Indoor Environmental Systems.

  7. Final Technical Report

    SciTech Connect

    Dmitriy Y. Anistratov; Marvin L. Adams; Todd S. Palmer; Kord S. Smith; Kevin Clarno; Hikaru Hiruta; Razvan Nes

    2003-08-04

    OAK B202 Final Technical Report. The present generation of reactor analysis methods uses few-group nodal diffusion approximations to calculate full-core eigenvalues and power distributions. The cross sections, diffusion coefficients, and discontinuity factors (collectively called ''group constants'') in the nodal diffusion equations are parameterized as functions of many variables, ranging from the obvious (temperature, boron concentration, etc.) to the more obscure (spectral index, moderator temperature history, etc.). These group constants, and their variations as functions of the many variables, are calculated by assembly-level transport codes. The current methodology has two main weaknesses that this project addressed. The first weakness is the diffusion approximation in the full-core calculation; this can be significantly inaccurate at interfaces between different assemblies. This project used the nodal diffusion framework to implement nodal quasidiffusion equations, which can capture transport effects to an arbitrary degree of accuracy. The second weakness is in the parameterization of the group constants; current models do not always perform well, especially at interfaces between unlike assemblies. The project developed a theoretical foundation for parameterization and homogenization models and used that theory to devise improved models. The new models were extended to tabulate information that the nodal quasidiffusion equations can use to capture transport effects in full-core calculations.

  8. FINAL TECHNICAL REPORT

    SciTech Connect

    STEFAN VASILE; ZHENG LI

    2010-06-17

    High-resolution tracking detectors based on Active Pixel Sensor (APS) have been valuable tools in Nuclear Physics and High-Energy Physics research, and have contributed to major discoveries. Their integration time, radiation length and readout rate is a limiting factor for the planed luminosity upgrades in nuclear and high-energy physics collider-based experiments. The goal of this program was to demonstrate and develop high-gain, high-resolution tracking detector arrays with faster readout, and shorter radiation length than APS arrays. These arrays may operate as direct charged particle detectors or as readouts of high resolution scintillating fiber arrays. During this program, we developed in CMOS large, high-resolution pixel sensor arrays with integrated readout, and reset at pixel level. Their intrinsic gain, high immunity to surface and moisture damage, will allow operating these detectors with minimal packaging/passivation requirements and will result in radiation length superior to APS. In Phase I, we designed and fabricated arrays with calorimetric output capable of sub-pixel resolution and sub-microsecond readout rate. The technical effort was dedicated to detector and readout structure development, performance verification, as well as to radiation damage and damage annealing.

  9. [WHO Technical Report 921].

    PubMed

    Morii, Hirotoshi

    2005-04-01

    WHO Technical Report 921 "Prevention and Management of Osteoporosis" was published in 2003. WHO Scientific Group Meeting on Prevention and Management of Osteoporosis was organized in 1998. The members consisted of 21 scientists from all over the world with 2 experts in WHO. Contents of the book included introduction, pathogenesis of osteoporosis and related fractures, epidemiology and risk factors, diagnosis and assessment, prevention and treatment, socioeconomic aspects, delivery of care and education, summary and recommendations. Osteoporosis is a silent epidemic and destroys QOL in overwhelming populations in the world. Risk factors are different from country to country, but nutritional, genetic, life style and other factors are concerned in the pathogenesis of the disease. Appropriate assessment and diagnosis are essential for the evaluation who should be treated. Many kinds of drugs have been developed for the treatment. Many ways for treating patients with fractures have been proposed. However, the establishment of systems of care is needed with aids of both governmental and non-governmental organizations. Finally education of citizens is very important. PMID:15802765

  10. Final Technical Report

    SciTech Connect

    Stoessel, Chris

    2013-11-13

    This project developed a new high-performance R-10/high SHGC window design, reviewed market positioning and evaluated manufacturing solutions required for broad market adoption. The project objectives were accomplished by: identifying viable technical solutions based on modeling of modern and potential coating stacks and IGU designs; development of new coating material sets for HM thin film stacks, as well as improved HM IGU designs to accept multiple layers of HM films; matching promising new coating designs with new HM IGU designs to demonstrate performance gains; and, in cooperation with a window manufacturer, assess the potential for high-volume manufacturing and cost efficiency of a HM-based R-10 window with improved solar heat gain characteristics. A broad view of available materials and design options was applied to achieve the desired improvements. Gated engineering methodologies were employed to guide the development process from concept generation to a window demonstration. The project determined that a slightly de-rated window performance allows formulation of a path to achieve the desired cost reductions to support end consumer adoption.

  11. Regional Technical Committee meeting.

    PubMed

    1999-03-01

    In January 1999, the 7th Regional Technical Committee of the Asia Regional Project, which seeks to strengthen community-based delivery of reproductive health (RH) care and family planning (FP), met at JOICFP. The 15 participants from Bangladesh, Laos, Nepal, the Philippines, the UN Population Fund, and the International Planned Parenthood Federation (IPPF) reviewed project activities during 1996-98 and finalized a work plan for 1999, reviewed evaluation outcomes, drafted a set of guidelines for the implementation of community-based RH programs, and consolidated plans to ensure program sustainability beyond 2000. The delegates from each country reported on their accomplishments and future challenges, and these experiences will be incorporated into manuals that will be useful tools for policy-makers and grassroots activists alike. A representative of the IPPF recommended continued sharing of accumulated project experience, sharing IEC (information, education, communication) materials with other nongovernmental and governmental organizations, fostering site visits to expand projects, and involving local governments to raise local resources. She noted that the IPPF would explore ways to continue project support. The UNFPA representative called for increased regional activities in the areas of adolescent sexual and RH education and services, quality of care training, advocacy, and furthering male involvement. PMID:12349120

  12. Engineering Technical Review Planning Briefing

    NASA Technical Reports Server (NTRS)

    Gardner, Terrie

    2012-01-01

    The general topics covered in the engineering technical planning briefing are 1) overviews of NASA, Marshall Space Flight Center (MSFC), and Engineering, 2) the NASA Systems Engineering(SE) Engine and its implementation , 3) the NASA Project Life Cycle, 4) MSFC Technical Management Branch Services in relation to the SE Engine and the Project Life Cycle , 5) Technical Reviews, 6) NASA Human Factor Design Guidance , and 7) the MSFC Human Factors Team. The engineering technical review portion of the presentation is the primary focus of the overall presentation and will address the definition of a design review, execution guidance, the essential stages of a technical review, and the overall review planning life cycle. Examples of a technical review plan content, review approaches, review schedules, and the review process will be provided and discussed. The human factors portion of the presentation will focus on the NASA guidance for human factors. Human factors definition, categories, design guidance, and human factor specialist roles will be addressed. In addition, the NASA Systems Engineering Engine description, definition, and application will be reviewed as background leading into the NASA Project Life Cycle Overview and technical review planning discussion.

  13. Technical Standards Products Informing NASA Quality Practices

    NASA Technical Reports Server (NTRS)

    Oberhettinger, David

    2006-01-01

    This viewgraph presentation includes formal definitions of standards (external and internal), as well as discussions of the importance of standards to NASA, current technical standards issues, the NASA technical standards program, and provides technical standards resources.

  14. Australia: A New Technical Teacher College

    ERIC Educational Resources Information Center

    Senior, R. L.

    1969-01-01

    A new technical teacher college will open its doors in Hawthorn, Victoria, in January 1970. R.L. Senior, Inspector of Technical Schools, describes the development of technical teacher training in the State. (Editor)

  15. Engineering directorate technical facilities catalog

    NASA Technical Reports Server (NTRS)

    Maloy, Joseph E.

    1993-01-01

    The Engineering Directorate Technical Facilities Catalog is designed to provide an overview of the technical facilities available within the Engineering Directorate at the National Aeronautics and Space Administration (NASA), Lyndon B. Johnson Space Center (JSC) in Houston, Texas. The combined capabilities of these engineering facilities are essential elements of overall JSC capabilities required to manage and perform major NASA engineering programs. The facilities are grouped in the text by chapter according to the JSC division responsible for operation of the facility. This catalog updates the facility descriptions for the JSC Engineering Directorate Technical Facilities Catalog, JSC 19295 (August 1989), and supersedes the Engineering Directorate, Principle test and Development Facilities, JSC, 19962 (November 1984).

  16. The Independent Technical Analysis Process

    SciTech Connect

    Duberstein, Corey A.; Ham, Kenneth D.; Dauble, Dennis D.; Johnson, Gary E.

    2007-04-13

    The Bonneville Power Administration (BPA) contracted with the Pacific Northwest National Laboratory (PNNL) to provide technical analytical support for system-wide fish passage information (BPA Project No. 2006-010-00). The goal of this project was to produce rigorous technical analysis products using independent analysts and anonymous peer reviewers. In the past, regional parties have interacted with a single entity, the Fish Passage Center to access the data, analyses, and coordination related to fish passage. This project provided an independent technical source for non-routine fish passage analyses while allowing routine support functions to be performed by other well-qualified entities.

  17. Final Technical Report

    SciTech Connect

    Aristos Aristidou Natureworks); Robert Kean; Tom Schechinger; Stuart Birrell; Jill Euken

    2007-10-01

    The two main objectives of this project were: 1) to develop and test technologies to harvest, transport, store, and separate corn stover to supply a clean raw material to the bioproducts industry, and 2) engineer fermentation systems to meet performance targets for lactic acid and ethanol manufacturers. Significant progress was made in testing methods to harvest corn stover in a “single pass” harvest mode (collect corn grain and stover at the same time). This is technically feasible on small scale, but additional equipment refinements will be needed to facilitate cost effective harvest on a larger scale. Transportation models were developed, which indicate that at a corn stover yield of 2.8 tons/acre and purchase price of $35/ton stover, it would be unprofitable to transport stover more than about 25 miles; thus suggesting the development of many regional collection centers. Therefore, collection centers should be located within about 30 miles of the farm, to keep transportation costs to an acceptable level. These collection centers could then potentially do some preprocessing (to fractionate or increase bulk density) and/or ship the biomass by rail or barge to the final customers. Wet storage of stover via ensilage was tested, but no clear economic advantages were evident. Wet storage eliminates fire risk, but increases the complexity of component separation and may result in a small loss of carbohydrate content (fermentation potential). A study of possible supplier-producer relationships, concluded that a “quasi-vertical” integration model would be best suited for new bioproducts industries based on stover. In this model, the relationship would involve a multiyear supply contract (processor with purchase guarantees, producer group with supply guarantees). Price will likely be fixed or calculated based on some formula (possibly a cost plus). Initial quality requirements will be specified (but subject to refinement).Producers would invest in harvest

  18. Using Technical Performance Measures

    NASA Technical Reports Server (NTRS)

    Garrett, Christopher J.; Levack, Daniel J. H.; Rhodes, Russel E.

    2011-01-01

    All programs have requirements. For these requirements to be met, there must be a means of measurement. A Technical Performance Measure (TPM) is defined to produce a measured quantity that can be compared to the requirement. In practice, the TPM is often expressed as a maximum or minimum and a goal. Example TPMs for a rocket program are: vacuum or sea level specific impulse (lsp), weight, reliability (often expressed as a failure rate), schedule, operability (turn-around time), design and development cost, production cost, and operating cost. Program status is evaluated by comparing the TPMs against specified values of the requirements. During the program many design decisions are made and most of them affect some or all of the TPMs. Often, the same design decision changes some TPMs favorably while affecting other TPMs unfavorably. The problem then becomes how to compare the effects of a design decision on different TPMs. How much failure rate is one second of specific impulse worth? How many days of schedule is one pound of weight worth? In other words, how to compare dissimilar quantities in order to trade and manage the TPMs to meet all requirements. One method that has been used successfully and has a mathematical basis is Utility Analysis. Utility Analysis enables quantitative comparison among dissimilar attributes. It uses a mathematical model that maps decision maker preferences over the tradeable range of each attribute. It is capable of modeling both independent and dependent attributes. Utility Analysis is well supported in the literature on Decision Theory. It has been used at Pratt & Whitney Rocketdyne for internal programs and for contracted work such as the J-2X rocket engine program. This paper describes the construction of TPMs and describes Utility Analysis. It then discusses the use of TPMs in design trades and to manage margin during a program using Utility Analysis.

  19. CTBT technical issues handbook

    SciTech Connect

    Zucca, J.J.

    1994-05-01

    The purpose of this handbook is to give the nonspecialist in nuclear explosion physics and nuclear test monitoring an introduction to the topic as it pertains to a Comprehensive Test Ban Treaty (CTBT). The authors have tried to make the handbook visually oriented, with figures paired to short discussions. As such, the handbook may be read straight through or in sections. The handbook covers four main areas and ends with a glossary, which includes both scientific terms and acronyms likely to be encountered during CTBT negotiations. The following topics are covered: (1) Physics of nuclear explosion experiments. This is a description of basic nuclear physics and elementary nuclear weapon design. Also discussed are testing practices. (2) Other nuclear experiments. This section discusses experiments that produce small amounts of nuclear energy but differ from explosion experiments discussed in the first chapter. This includes the type of activities, such as laser fusion, that would continue after a CTBT is in force. (3) Monitoring tests in various environments. This section describes the different physical environments in which a test could be conducted (underground, in the atmosphere, in space, underwater, and in the laboratory); the sources of non-nuclear events (such as earthquakes and mining operations); and the opportunities for evasion. (4) On-site inspections. A CTBT is likely to include these inspections as an element of the verification provisions, in order to resolve the nature of ambiguous events. This chapter describes some technical considerations and technologies that are likely to be useful. (5) Selecting verification measures. This chapter discusses the uncertain nature of the evidence from monitoring systems and how compliance judgments could be made, taking the uncertainties into account. It also discusses how to allocate monitoring resources, given the likelihood of testing by various countries in various environments.

  20. Final Technical Report

    SciTech Connect

    Juan Camilo Serrano

    2011-12-16

    New and novel material and process technologies applied in wind blade designs and production are critical to increasing the competitiveness of wind power generation against traditional sources of energy. In this project, through collaboration between PPG Industries and MAG Industrial Automation Systems, the potential of using automated manufacturing for the production of fiber glass composite wind blades was evaluated from both technical and economic points of view. Further, it was demonstrated that by modifying the standard blade raw material forms through the use of cost effective pre-impregnated rovings coupled with using an automated fiber placement machine to lay up the parts, it is possible to produce state of the art composite laminates with significantly improved mechanical performance and with higher processing rates than standard blade production technology allows for today, thereby lowering the cost of energy over turbine blades made using traditional processes and materials. In conformity with the scope of work of the submitted proposal, the project team completed each task and documented and reported its findings on the appropriate quarterly report submitted to the DOE project team. The activities and this report are divided into 5 subtasks: (1) Material Investigation - Reviews traditional materials and key specifications and testing methods; (2) Manufacturing and Automation - Identifies new candidate material forms and automated layup processes; (3) Process Development - Performs trials of candidate materials and processes; (4) Predictive Analysis - Assesses impact of new material forms and automated processes on a model blade design; and (5) Feasibility Assessment - Compares traditional manufacturing processes and materials to new candidate material forms and automated processes.

  1. Final Technical Report

    SciTech Connect

    Joseph Junker; Greg Wheeler

    2007-02-26

    Since 1986 the Oregon State University Industrial Assessment Center (OSU IAC) has worked to increase the energy efficiency, productivity, sustainability, and competitiveness of US manufacturers; provide engineering students an education not available in the classroom; keep engineering faculty in contact with technology and challenges in Northwest industry; and reduce dependence on nonrenewable energy resources, both imported and domestic. Project Objective: Over the duration of this project (2002-2006), the OSU IAC worked to directly support and influence industrial decisions primarily regarding energy but also regarding sustainability and profitability through: Assessments & Follow-up: The OSU IAC performed 111 Industrial Assessments in Oregon, Washington, Idaho and Nevada to help industry identify and implement opportunities to increase energy efficiency, productivity, sustainability, and competitiveness Workshops Seminars Forums Etc: OSU IAC staff worked with regional peers to offer appropriate workshops and trainings as opportunities availed themselves. Graduating Excellent Energy Aware Professional Alumni: As technically capable, skilled written and verbal communicators, our alumni contributed to OSU IAC influence from their positions within industry, consulting organizations, utilities, and governmental and non governmental agencies. Tool Development: Analysis tools and guides originated at the OSU IAC extended our reach. The center continually worked to develop computer based analysis tools, evaluation checklists, analysis guide sheets for internal use and general sharing with industry, energy, and other professionals to assist them in efforts to improve US Industry. Impact: Over 20 years of activity the OSU IAC has typically performed 25 Industrial Assessments a year. On average, each year of 25 assessments has resulted in implemented projects that saved industry a total of: 25.3 TBTU in annual energy and $4.5 Million annually, with an average investment

  2. In vitro and in vivo comparison of human Escherichia coli heat-stable peptide analogues incorporating the 111In-DOTA group and distinct linker moieties.

    PubMed

    Giblin, Michael F; Gali, Hariprasad; Sieckman, Gary L; Owen, Nellie K; Hoffman, Timothy J; Forte, Leonard R; Volkert, Wynn A

    2004-01-01

    Three human Escherichia coli heat-stable peptide (STh) analogues, each containing a DOTA chelating group, were synthesized by SPPS and oxidative refolding and compared in in vitro and in vivo systems. One analogue, DOTA-F19-STh(1-19), contains an N-terminal DOTA group attached via an amide bond linkage to an STh moiety which is essentially wild-type except for a Tyr to Phe alteration at position 19 of the molecule. A second analogue, DOTA-R1,4,F19-STh(1-19), differs from the first in that asparagine residues in positions 1 and 4 have been altered to arginine residues in order to examine the effect of positively charged groups in the linker domain. A third analogue, DOTA-11AUN-F19-STh(1-19), differs from the first in that it incorporates an 11-aminoundecanoic acid spacer group between the DOTA group and the first asparagine residue. In vitro competitive binding assays utilizing T-84 human colon cancer cells demonstrated that significant alterations to the N-terminal region of the STh molecule were well tolerated and did not significantly affect binding affinity of STh for the guanylyl cyclase C (GC-C) receptor. Internalization and efflux studies of the indium-labeled species demonstrated that inclusion of positive charge in the linker moiety inhibits internalization of the compound within tumor cells. The characteristics of the three analogues were compared in an in vivo model utilizing T-84 human colon cancer cell xenografts in SCID mice. Clearance of all analogues was rapid, primarily via renal excretion into the urine, with >89% ID excreted into the urine at 1 h pi for all analogues. The 111In-DOTA-R1,4,F19-STh(1-19) and 111In-DOTA-11AUN-F19-STh(1-19) analogues both had longer residence times in the blood than did the 111In-DOTA-F19-STh(1-19) analogue, probably accounting for increased %ID/g values for tumors and nontarget tissues at 1 h pi. At 4 h pi, significant differences between analogues were only seen with respect to metabolic routes of excretion

  3. International Technical Communication: Beyond Translation, Localization.

    ERIC Educational Resources Information Center

    Klein, Fred

    1993-01-01

    Offers a personal view of international technical communication. Discusses computer-assisted translation, machine translation, machine interpreting, and the future of international technical communication. (SR)

  4. Hydrogen Storage Technical Team Roadmap

    SciTech Connect

    2013-06-01

    The mission of the Hydrogen Storage Technical Team is to accelerate research and innovation that will lead to commercially viable hydrogen-storage technologies that meet the U.S. DRIVE Partnership goals.

  5. Fuel Cell Technical Team Roadmap

    SciTech Connect

    2013-06-01

    The Fuel Cell Technical Team promotes the development of a fuel cell power system for an automotive powertrain that meets the U.S. DRIVE Partnership (United States Driving Research and Innovation for Vehicle efficiency and Energy sustainability) goals.

  6. Technical framework for groundwater restoration

    SciTech Connect

    Not Available

    1991-04-01

    This document provides the technical framework for groundwater restoration under Phase II of the Uranium Mill Tailings Remedial Action (UMTRA) Project. A preliminary management plan for Phase II has been set forth in a companion document titled ``Preplanning Guidance Document for Groundwater Restoration``. General principles of site characterization for groundwater restoration, restoration methods, and treatment are discussed in this document to provide an overview of standard technical approaches to groundwater restoration.

  7. Guam Initial Technical Assessment Report

    SciTech Connect

    Baring-Gould, I.; Conrad, M.; Haase, S.; Hotchkiss, E.; McNutt, P.

    2011-04-01

    Under an interagency agreement, funded by the Department of Interior's (DOI) Office of Insular Affairs (OIA), the National Renewable Energy Laboratory (NREL) was tasked to deliver technical assistance to the island of Guam by conducting an island initial technical assessment that would lay out energy consumption and production data and establish a baseline. This assessment will be used to conduct future analysis and studies by NREL that will estimate energy efficiency and renewable energy potential for the island of Guam.

  8. NetView technical research

    NASA Technical Reports Server (NTRS)

    1993-01-01

    This is the Final Technical Report for the NetView Technical Research task. This report is prepared in accordance with Contract Data Requirements List (CDRL) item A002. NetView assistance was provided and details are presented under the following headings: NetView Management Systems (NMS) project tasks; WBAFB IBM 3090; WPAFB AMDAHL; WPAFB IBM 3084; Hill AFB; McClellan AFB AMDAHL; McClellan AFB IBM 3090; and Warner-Robins AFB.

  9. Vitamin B6s inhibit oxidative stress caused by Alzheimer's disease-related Cu(II)-β-amyloid complexes-cooperative action of phospho-moiety.

    PubMed

    Hashim, Alaa; Wang, Le; Juneja, Kashmir; Ye, Yong; Zhao, Yufen; Ming, Li-June

    2011-11-01

    Cu(II) complexes of Alzheimer's disease-related β-amyloid (Aβ) peptides exhibit metal-centered oxidation chemistry. The metallo-Aβ complexes are the hallmark of the disease and have been attributed to the generation of reactive oxygen species (ROS), causing oxidative stress. In this communication, the inhibitions of the oxidative activity of Cu(II)-Aβ by vitamin B6 compounds pyridoxamine (PM), pyridoxine (PN), pyridoxal (PL), and pyridoxal-5'-phosphate (PLP) are presented. These B6's are competitive inhibitors toward dopamine oxidation by Cu(II)-Aβ(1-20), with K(i) values of 1.4, 8.3, 1.2, and 0.2mM, respectively. The phospho-moiety in PLP seems to exhibit cooperative inhibition, affording a clue for future design of inhibitors. PMID:21944860

  10. Synthesis and insecticidal activity of spinosyn analogs functionally altered at the 2'-,3'- and 4'-positions of the rhamnose moiety.

    PubMed

    Creemer, L C; Kirst, H A; Paschal, J W; Worden, T V

    2000-02-01

    In an effort to increase the insecticidal activity of the spinosyn family of naturally occurring macrolides, the 2'-, 3'- and 4'-O-desmethyl-O-acetyl analogs and the 2'-, 3'-, and 4'-O-desmethoxy analogs have been synthesized. These analogs were prepared synthetically from the minor spinosyn factors H, J, K, L and Q either via direct acylation of the corresponding factor or deoxygenation of an intermediate xanthate. The acylated analogs were all more potent insecticides against Heliothis virescens larvae than their respective parent factors, but not as potent as spinosyns A or D. The deoxy analogs were also more potent insecticides than their respective parent factors. The 2'-desmethoxy analogs showed, for the first time, analogs with insecticidal potency against H. virescens greater than that of spinosyns A and D, indicating that polarity is not well tolerated in the rhamnose moiety of spinosyn A. PMID:10805578

  11. Microwave Assistant Synthesis, Antifungal Activity and DFT Theoretical Study of Some Novel 1,2,4-Triazole Derivatives Containing Pyridine Moiety

    PubMed Central

    Sun, Guo-Xiang; Yang, Ming-Yan; Shi, Yan-Xia; Sun, Zhao-Hui; Liu, Xing-Hai; Wu, Hong-Ke; Li, Bao-Ju; Zhang, Yong-Gang

    2014-01-01

    In order to investigate the biological activity of novel 1,2,4-triazole compounds, seventeen novel 1,2,4-triazole derivatives containing pyridine moiety were synthesized under microwave assistant condition by multi-step reactions. The structures were characterized by 1H NMR, MS and elemental analyses. The target compounds were evaluated for their fungicidal activities against Stemphylium lycopersici (Enjoji) Yamamoto, Fusarium oxysporum. sp. cucumebrium, and Botrytis cinerea in vivo, and the results indicated that some of the title compounds displayed excellent fungicidal activities. Theoretical calculation of the title compound was carried out with B3LYP/6-31G (d,p). The full geometry optimization was carried out using 6-31G (d,p) basis set, and the frontier orbital energy, atomic net charges were discussed, and the structure-activity relationship was also studied. PMID:24815069

  12. Incorporation of thieno[3,2-b]thiophene moieties as novel electropolymerizable groups in a conducting metallopolymer and study of the effect on photostability.

    PubMed

    Caraway, Jennifer D; Nguyen, Minh T; Mitchell, Lauren A; Holliday, Bradley J

    2015-04-01

    A novel nickel(II)-containing conducting metallopolymer utilizing thieno[3,2-b]thiophene moieties as the electropolymerizable groups is synthesized and characterized. A metal-free polymer is also obtained via electropolymerization of the title ligand allowing comparative studies of the electrochemical and spectroscopic properties of the polymer system in the presence and absence of nickel(II) metal ions. Photodegradation of the two polymers is studied along with an analogous system incorporating bithiophene as the electropolymerizable groups. Stability is found to be comparable between the metal-free thieno[3,2-b]thiophene- and bithio-phene-based polymers; however, significant enhancement is observed in the thieno[3,2-b]thiophene-based nickel(II) conducting metallopolymer. PMID:25648116

  13. Preparation of Azafullerene C59NR5 and Fullerene Derivative C60NAr5 with a Pyridine Moiety on the Cage Skeleton.

    PubMed

    Lou, Ning; Li, Yanbang; Cui, Chengxing; Liu, Yajun; Gan, Liangbing

    2016-05-01

    [60]Fullerene hexaadducts C60R5Cl (R = OMe or Ar) reacted with hydroxylamine to form C60R5(NHOH) with the hydroxylamino group attached on the central pentagon as in the starting material. Further reactions including treatment with PCl5 and basic alumina led to the insertion of the nitrogen atom into the fullerene cage skeleton and decarbonylation to form azafullerenes C59N(H)(OMe)4 and C59N(OMe)5. The fullerene derivatives C59N(CO)R5 and C60NAr5 with a pyridinone and a pyridine moiety on the cage skeleton, respectively, were also synthesized starting from the hydroxylamine adducts. PMID:27091504

  14. [3-(1H-imidazol-4-yl)propyl]guanidines containing furoxan moieties: a new class of H3-antagonists endowed with NO-donor properties.

    PubMed

    Bertinaria, Massimo; Stilo, Antonella Di; Tosco, Paolo; Sorba, Giovanni; Poli, Enzo; Pozzoli, Cristina; Coruzzi, Gabriella; Fruttero, Roberta; Gasco, Alberto

    2003-04-01

    Synthesis and pharmacological characterisation of a series of products obtained by coupling the H(3)-antagonist SKF 91486 through appropriate spacers with the NO-donor 3-phenylfuroxan-4-yloxy and 3-benzenesulfonylfuroxan-4-yloxy moieties, as well as with the corresponding furazan substructures, devoid of NO-donating properties, are reported. All the products were tested for their H(3)-antagonistic and H(2)-agonistic properties on electrically-stimulated guinea-pig ileum segments and guinea-pig papillary muscle, respectively. The whole series of compounds displayed good H(3)-antagonist behaviour and feeble partial H(2)-agonist activity. Among furoxan derivatives, the benzenesulfonyl hybrid 28, a good NO-donor, triggered a dual NO-dependent muscle relaxation and H(3)-antagonistic effect on guinea-pig intestine. PMID:12628647

  15. Synthesis of 2H-1,3-benzoxazin-4(3H)-one derivatives containing indole moiety: their in vitro evaluation against PDE4B.

    PubMed

    Rao, Raja Mohan; Luther, Bethala Jawahar; Rani, Chekuri Sharmila; Suresh, Namburi; Kapavarapu, Ravikumar; Parsa, Kishore V L; Rao, Mandava V Basaveswara; Pal, Manojit

    2014-02-15

    A number of 2H-1,3-benzoxazin-4(3H)-one derivatives containing indole or benzofuran moieties were synthesized by using Pd/C-Cu mediated coupling-cyclization strategy as a key step. The o-iodoanilides or o-iodophenol were coupled with 3-{2-(prop-2-ynyloxy)ethyl}-2H-benzo[e][1,3]oxazin-4(3H)-one using 10%Pd/C-CuI-PPh3 as a catalyst system and Et3N as a base to give the target compounds. All the synthesized compounds were tested for their PDE4B inhibitory potential in vitro using a cell based cAMP reporter assay. Some of them showed fold increase of the cAMP level when tested at 30 μM. A representative compound showed encouraging PDE4B inhibitory properties that were supported by its docking results. PMID:24440301

  16. Biologically active vallesamine, strychnan, and rhazinilam alkaloids from Alstonia: Pneumatophorine, a nor-secovallesamine with unusual incorporation of a 3-ethylpyridine moiety.

    PubMed

    Lim, Jun-Lee; Sim, Kae-Shin; Yong, Kien-Thai; Loong, Bi-Juin; Ting, Kang-Nee; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok

    2015-09-01

    Four alkaloids comprising two vallesamine, one strychnan, and one pyranopyridine alkaloid, in addition to 32 other known alkaloids were isolated from two Malayan Alstonia species, Alstonia pneumatophora and Alstonia rostrata. The structures of these alkaloids were determined using NMR and MS analyses, and in one instance, confirmed by X-ray diffraction analysis. The nor-6,7-secovallesamine alkaloid, pneumatophorine, is notable for an unusual incorporation of a 3-ethylpyridine moiety in a monoterpenoid indole. The rhazinilam-type alkaloids (rhazinicine, nor-rhazinicine, rhazinal, and rhazinilam) showed strong cytotoxicity toward human KB, HCT-116, MDA-MB-231, and MRC-5 cells, while pneumatophorine, the uleine alkaloid undulifoline, and the strychnan alkaloids, N4-demethylalstogustine and echitamidine, induced concentration dependent relaxation in phenylephrine-precontracted rat aortic rings. PMID:26125941

  17. Study on reactivity and protection of the alpha-hydroxyphosphonate moiety in 5'-nucleotide analogues: formation of the 3'-O-P-C(OH)-C4' internucleotide linkage.

    PubMed

    Králíková, Sárka; Masojídková, Milena; Budĕsínský, Milos; Rosenberg, Ivan

    2003-03-01

    The recently described epimeric nucleosidyl-5'-C-phosphonates (alpha-hydroxyphosphonates) represent novel nucleotide analogues that can be incorporated into chimeric oligonucleotides by the phosphotriester condensation method. In order to prepare suitable protected monomer(s) we have studied condensation reaction between protected 2'-deoxythymidine and 2'-deoxythymidinyl-5'-C-phosphonate, both as model compounds, in dependence on the nature of the 5'-hydroxyl protecting group. We have found that the O-acetyl group is unstable in the presence of TPSCl or MSNT used as condensing agents for activation of the phosphorus moiety. This instability negatively influences the scope of the condensation process. On the other hand, introduction of the O-methoxycarbonyl group gave excellent results. The O-methoxycarbonyl group does not participate in the condensation process, and its quantitative introduction into the nucleotide analo gues is accomplished using a novel acylating agent, methoxycarbonyl tetrazole. PMID:12816391

  18. Insertion of an aspartic acid moiety into cyclic pseudopeptides: synthesis and biological characterization of potent antagonists for the human Tachykinin NK-2 receptor.

    PubMed

    Fedi, Valentina; Altamura, Maria; Balacco, Giuseppe; Canfarini, Franca; Criscuoli, Marco; Giannotti, Danilo; Giolitti, Alessandro; Giuliani, Sandro; Guidi, Antonio; Harmat, Nicholas J S; Nannicini, Rossano; Pasqui, Franco; Patacchini, Riccardo; Perrotta, Enzo; Tramontana, Manuela; Triolo, Antonio; Maggi, Carlo Alberto

    2004-12-30

    A new series of monocyclic pseudopeptide tachykinin NK-2 receptor antagonists has been derived from the lead compound MEN11558. A synthesis for these molecules sharing the same intermediate was designed and performed. The replacement of the succinic moiety with an aspartic acid and the functionalization of its amino group with a wide variety of substituents led to very potent and selective NK-2 antagonists. Best results were obtained through the insertion in position 12 of an amino group with R configuration, linked by a short spacer to a saturated nitrogen heterocycle (morpholine, piperidine, or piperazine). The study led to compounds 54 and 57, endowed with high in vivo potency at very low doses and long duration of action in animal models of bronchoconstriction. In particular 54 and 57 completely inhibited NK-2 agonist induced bronchoconstriction in guinea pig after intratracheal administration at subnanomolar doses (ED(50) = 0.27 nmol/kg and 0.15 nmol/kg, respectively). PMID:15615542

  19. Synthesis of chiral five-membered carbocyclic ring amino acids with an acetal moiety and helical conformations of its homo-chiral homopeptides.

    PubMed

    Koba, Yurie; Hirata, Yoko; Ueda, Atsushi; Oba, Makoto; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Tanaka, Masakazu

    2016-11-01

    Chiral five-membered carbocyclic ring amino acids bearing various diol acetal moieties were synthesized starting from l-malic acid, and homo-chiral homopeptides composed of cyclic amino acid (S)-Ac5 c(3EG) bearing an ethylene glycol acetal, up to an octapeptide, were prepared. A conformational analysis revealed that (S)-Ac5 c(3EG) homopeptides formed helical structures. (S)-Ac5 c(3EG) homopeptides, up to hexapeptides, formed helical structures without controlling the helical screw direction, while (S)-Ac5 c(3EG) hepta- and octapeptides formed helical structures with a preference for the left-handed (M) helical-screw direction. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 555-562, 2016. PMID:26566886

  20. Final Technical Report

    SciTech Connect

    Bohdan W. Oppenheim; Rudolf Marloth

    2007-10-26

    Executive Summary The document contains Final Technical Report on the Industrial Assessment Center Program at Loyola Marymount University in Los Angeles, covering the contract period of 9/1/2002 to 11/30/2006, under the contract DE-FC36-02GO 12073. The Report describes six required program tasks, as follows: TASK 1 is a summary of the assessments performed over the life of the award: 77 assessments were performed, 595 AR were recommended, covering a very broad range of manufacturing plants. TASK 2 is a description of the efforts to promote and increase the adoption of assessment recommendations and employ innovative methods to assist in accomplishing these goals. The LMU IAC has been very successful in accomplishing the program goals, including implemented savings of $5,141,895 in energy, $10,045,411 in productivity and $30,719 in waste, for a total of $15,218,025. This represents 44% of the recommended savings of $34,896,392. TASK 3 is a description of the efforts promoting the IAC Program and enhancing recruitment efforts for new clients and expanded geographic coverage. LMU IAC has been very successful recruiting new clients covering Southern California. Every year, the intended number of clients was recruited. TASK 4 describes the educational opportunities, training, and other related activities for IAC students. A total of 38 students graduated from the program, including 2-3 graduate students every semester, and the remainder undergraduate students, mostly from the Mechanical Engineering Department. The students received formal weekly training in energy (75%) and productivity (25). All students underwent extensive safety training. All students praised the IAC experience very highly. TASK 5 describes the coordination and integration of the Center activities with other Center and IAC Program activities, and DOE programs. LMU IAC worked closely with MIT, and SDSU IAC and SFSU IAC, and enthusiastically supported the SEN activities. TASK 6 describes other tasks

  1. Photosensitizer (PS)-cyanine dye (CD) conjugates: Impact of the linkers joining the PS and CD moieties and their orientation in tumor-uptake and photodynamic therapy (PDT).

    PubMed

    James, Nadine S; Joshi, Penny; Ohulchanskyy, Tymish Y; Chen, Yihui; Tabaczynski, Walter; Durrani, Farukh; Shibata, Masayuki; Pandey, Ravindra K

    2016-10-21

    To investigate the impact of linker(s) joining the photosensitizer HPPH [3-(1'-hexyloxy) ethyl-3-devinylpyropheophorbide-a] and the cyanine dye (CD) in tumor-imaging and photodynamic therapy (dual-function agents), a series of HPPH-CD conjugates were synthesized. The modifications were done in an attempt to minimize Forster Resonance Energy Transfer (FRET) between the two chromophores and maximize singlet oxygen production. Among the conjugates containing variable length of linkers, the HPPH-CD conjugate, in which the photosensitizer (PS) and the CD was joined by four Carbon [(CH2)4] units showed higher tumor uptake, improved tumor contrast and limited skin uptake in mice bearing Colon-26 (BALB/c) or U87 tumors in Nude mice. The bi-functional agents in which the HPPH was linked at the meta-position of phenyl-substituted CD 5, 6 and 7 showed longer tumor response (cure) than the corresponding para-substituted analogs 2, 3, and 4, which suggests that the orientation of the PS and CD moieties within the conjugate also makes a substantial difference in tumor-specificity. Compared to HPPH, the singlet oxygen yields of all the HPPH-CD conjugates were significantly low, and required a higher therapeutic dose to achieve the same in vivo response obtained by HPPH-PDT alone. However, conjugate 6 produced a higher singlet oxygen yield with reduced FRET and exhibited enhanced long-term PDT efficacy in mice bearing Colon-26 (BALB/c) and U87 tumors (nude) than its counterparts, including our lead compound (HPPH-CD), making it the most efficacious of the series. Thus, these conjugates bearing cyanine dye moiety (CD) provide an opportunity of imaging deeply seated tumors for fluorescence-guided surgery with an option of PDT. PMID:27543778

  2. S. cerevisiae Mre11 recruits conjugated SUMO moieties to facilitate the assembly and function of the Mre11-Rad50-Xrs2 complex

    PubMed Central

    Chen, Yu-Jie; Chuang, Yu-Chien; Chuang, Chi-Ning; Cheng, Yun-Hsin; Chang, Chuang-Rung; Leng, Chih-Hsiang; Wang, Ting-Fang

    2016-01-01

    Double-strand breaks (DSBs) in chromosomes are the most challenging type of DNA damage. The yeast and mammalian Mre11-Rad50-Xrs2/Nbs1 (MRX/N)-Sae2/Ctp1 complex catalyzes the resection of DSBs induced by secondary structures, chemical adducts or covalently-attached proteins. MRX/N also initiates two parallel DNA damage responses—checkpoint phosphorylation and global SUMOylation—to boost a cell's ability to repair DSBs. However, the molecular mechanism of this SUMO-mediated response is not completely known. In this study, we report that Saccharomyces cerevisiae Mre11 can non-covalently recruit the conjugated SUMO moieties, particularly the poly-SUMO chain. Mre11 has two evolutionarily-conserved SUMO-interacting motifs, Mre11SIM1 and Mre11SIM2, which reside on the outermost surface of Mre11. Mre11SIM1 is indispensable for MRX assembly. Mre11SIM2 non-covalently links MRX with the SUMO enzymes (E2/Ubc9 and E3/Siz2) to promote global SUMOylation of DNA repair proteins. Mre11SIM2 acts independently of checkpoint phosphorylation. During meiosis, the mre11SIM2 mutant, as for mre11S, rad50S and sae2Δ, allows initiation but not processing of Spo11-induced DSBs. Using MRX and DSB repair as a model, our work reveals a general principle in which the conjugated SUMO moieties non-covalently facilitate the assembly and functions of multi-subunit protein complexes. PMID:26743002

  3. PEG-detachable cationic polyaspartamide derivatives bearing stearoyl moieties for systemic siRNA delivery toward subcutaneous BxPC3 pancreatic tumor.

    PubMed

    Kim, Hyun Jin; Oba, Makoto; Pittella, Frederico; Nomoto, Takahiro; Cabral, Horacio; Matsumoto, Yu; Miyata, Kanjiro; Nishiyama, Nobuhiro; Kataoka, Kazunori

    2012-01-01

    For systemic siRNA delivery into tumor tissues, a safe and efficient vehicle is strongly required. Therefore, we designed a block copolymer of detachable poly(ethylene glycol) (PEG) polycation bearing low pKa amines and hydrophobic moieties in the side chain to develop a smart siRNA complex possessing biocompatibility, high complex stability, and endosomal escaping functionality. A disulfide linkage (-SS-) was inserted as a linker between PEG and a cationic polyaspartamide derivative, poly{N-[N-(2-aminoethyl)-2-aminoethyl]aspartamide} (PAsp(DET)), with a flanking stearoyl moiety, where PAsp(DET) segment provides the excellent ability of endosome destabilization by direct interaction with the membrane. The resulting polymer, stearoyl PEG-SS-PAsp(DET), was confirmed to form the siRNA complex with an environment-responsive PEG palisade, which was detached from the complex surface under reductive conditions mimicking tumor tissues and cytoplasm because of the disulfide cleavage. The smart siRNA complex allowed significant gene silencing against cultured pancreatic cancer cells without considerable cytotoxicity and erythrocyte disruption, whereas such significant gene silencing was not observed in a control siRNA complex without the disulfide linkage. This enhanced gene silencing activity might be because of the enhanced cellular uptake and subsequent translocation of siRNA into cytoplasm facilitated by PEG detachment around and/or in the cancer cells. Further, intravital real-time confocal laser scanning microscopic observation revealed the effect of hydrophobic stearoyl modification on the stabilization of the siRNA complex for longevity in the blood. Significant in vivo gene silencing of the smart siRNA complex was achieved by systemic administration of vascular endothelial growth factor siRNA in a mouse model bearing a subcutaneous pancreatic tumor, leading to 40% regression in tumor growth. These results demonstrate the strong potential of stearoyl PEG

  4. Design and synthesis of novel complexes containing N-phenyl-1H-pyrazole moiety: Ni complex as potential antifungal and antiproliferative compound

    NASA Astrophysics Data System (ADS)

    El-Gamel, Nadia E. A.; Farghaly, Thoraya A.

    2013-11-01

    Cu(II) (1), Ni(II) (2), Cr(III) (3) and Fe(III) (4) complexes with 3-acetyl-4-benzoyl-1-phenyl-1H-pyrazole (L1) were prepared and structurally characterized. Usual coordination of L1 was achieved through nitrogen of pyrazole moiety and carbonyl acetyl group. Electronic spectra of the complexes indicate that the geometry of the metal center was six coordinate octahedral. In vitro antimicrobial activity of the ligand and complex compounds was screened in terms of antibacterial effect on Staphylococcus aureus (Gram-positive), Escherichia coli (Gram-negative) and antifungal effect on the fungi Aspergillus flavus and candida albicans using the modified Kirby-Bauer disc diffusion and minimum inhibitory concentrations (MIC) methods. Ni(II) complex (2) exhibited remarkable antifungal inhibition against Candida albicans equal to the standard antifungal agent. To continue our study some structural modifications are formed by adding 4-fluoro-benzoyl moiety to L1 in different forms to produce different ligands, 3-acetyl-4-(4-flourobenzoyl)-1-phenyl-1H-pyrazole (L2) and 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-phenyl-4-(4-flourobenzoyl)-1H-pyrazole (L3), Ni complexes (5 and 6) are prepared and comparable in vitro antimicrobial study is evaluated. In vitro cytotoxicity of the Ni(II) complex (2) is studied using MTT assay. The analysis of the cell test showed that (2) displayed quite small cytotoxic response at the higher concentration level which indeed would further enable us for more opportunities in therapeutic and biomedical challenges. Both of the capability as a potent in vitro antifungal agent and the cell test analysis show Ni(II) complex (2) as a promising material in the translation of observed in vitro biological phenomenon into clinical therapies settings.

  5. Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein.

    PubMed

    Gayda, Susan; Longenecker, Kenton L; Judge, Russell A; Swift, Kerry M; Manoj, Sharmila; Linthicum, D Scott; Tetin, Sergey Y

    2016-04-01

    Unlike other known anti-fluorescein antibodies, the monoclonal antibody 43.1 is directed toward the fluorescein's carboxyl phenyl moiety. It demonstrates a very high affinity (KD ∼ 70 pM) and a fast association rate (kon ∼ 2 × 10(7) M(-1 ) s(-1) ). The three-dimensional structure of the Fab 43.1-fluorescein complex was resolved at 2.4 Å resolution. The antibody binding site is exclusively assembled by the CDR loops. It is comprised of a 14 Å groove-shaped entrance leading to a 9 Å by 7 Å binding pocket. The highly polar binding pocket complementary encloses the fluorescein's carboxyphenyl moiety and tightly fixes it by multiple hydrogen bonds. The fluorescein's xanthene ring is embedded in the more hydrophobic groove and stacked between the side chains of Tyr37L and of Arg99H providing conditions for an excited state electron transfer process. In comparison to fluorescein, the absorption spectrum of the complex in the visible region is shifted to the "red" by 23 nm. The complex demonstrates a very weak fluorescence (Φc  = 0.0018) with two short lifetime components: 0.03 ns (47%) and 0.8 ns (24%), which reflects a 99.8% fluorescein emission quenching effect upon complex formation. The antibody 43.1 binds fluorescein with remarkable affinity, fast association rate, and strongly quenches its emission. Therefore, it may present a practical interest in applications such as molecular sensors and switches. PMID:26756394

  6. Design, synthesis, and docking studies of phenylpicolinamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors.

    PubMed

    Zhu, Wufu; Wang, Wenhui; Xu, Shan; Tang, Qidong; Luo, Rong; Wang, Min; Gong, Ping; Zheng, Pengwu

    2016-02-15

    Four series of phenylpicolinamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety (12a-e, 13a-f, 14a-f and 15a-i) were designed, synthesized and evaluated for the IC50 values against three cancer cell lines (A549, PC-3 and MCF-7) and c-Met kinase. Five selected compounds (13b, 15b, 15d, 15e and 15f) were further evaluated for the activity against HepG2 and Hela cell lines. Eighteen of the compounds showed excellent cytotoxicity activity and selectivity with the IC50 valuables in single-digit μM to nanomole range. Seven of them are equal to more active than positive control Foretinib against one or more cell lines. The most promising compound 15f showed superior activity to Foretinib, with the IC50 values of 1.04±0.11μM, 0.02±0.01μM and 9.11±0.55μM against A549, PC-3 and MCF-7 cell lines, which were 0.62 to 19.5 times more active than Foretinib (IC50 values: 0.64±0.26μM, 0.39±0.11μM, 9.47±0.22μM), respectively. Structure-activity relationships (SARs) and docking studies indicated that replacement of quinoline nucleus of the previous active compounds with 1H-pyrrolo[2,3-b]pyridine moiety maintained even improved the potent cytotoxic activity. The results suggested that the introduction of fluoro atoms to the aminophenoxy part of target compounds or the phenyl group of pyrimidine substituted on C-4 position was benefit for the activity. PMID:26810712

  7. New 1,4-dihydropyridines conjugated to furoxanyl moieties, endowed with both nitric oxide-like and calcium channel antagonist vasodilator activities.

    PubMed

    Di Stilo, A; Visentin, S; Cena, C; Gasco, A M; Ermondi, G; Gasco, A

    1998-12-31

    A series of 4-phenyl-1,4-dihydropyridines substituted at the ortho and meta positions of the phenyl ring with NO-donating furoxan moieties and their non-NO-releasing furazan analogues were synthesized and pharmacologically characterized. The vasodilator activities of these compounds were evaluated on rat aorta and expressed as EC50 values or as EC50iGC values when obtained in the presence of inhibitors of guanylate cyclase methylene blue (MB) and 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one (ODQ). Affinities to 1, 4-DHP receptors on Ca2+ channels, expressed as IC50 values, were determined through displacement experiments of [3H]nitrendipine on rat cortex homogenates. A linear correlation between IC50 and EC50 values was found for compounds unable to release NO. EC50calcd values for derivatives containing NO-donor moieties, expression of the Ca2+-blocking component of their vasodilator activity, were interpolated on this linear regression. They showed a good correspondence with EC50iGC values determined in the presence of soluble guanylate cyclase inhibitors. Analysis of EC50iGC/EC50 ratios provided a useful tool to distinguish well-balanced hybrids from derivatives biased toward Ca2+-blocking or NO-dependent vasodilator activity. A detrimental effect on affinity to the 1, 4-DHP receptor, due to substitution at the ortho and meta positions of the 4-phenyl ring, was observed. SAR to explain this effect is proposed. PMID:9876109

  8. Key Role of the Adenylate Moiety and Integrity of the Adenylate-Binding Site for the NAD(+)/H Binding to Mitochondrial Apoptosis-Inducing Factor.

    PubMed

    Sorrentino, Luca; Calogero, Alessandra Maria; Pandini, Vittorio; Vanoni, Maria Antonietta; Sevrioukova, Irina F; Aliverti, Alessandro

    2015-12-01

    Apoptosis-inducing factor (AIF) is a mitochondrial flavoprotein with pro-life and pro-death activities, which plays critical roles in mitochondrial energy metabolism and caspase-independent apoptosis. Defects in AIF structure or expression can cause mitochondrial abnormalities leading to mitochondrial defects and neurodegeneration. The mechanism of AIF-induced apoptosis was extensively investigated, whereas the mitochondrial function of AIF is poorly understood. A unique feature of AIF is the ability to form a tight, air-stable charge-transfer (CT) complex upon reaction with NADH and to undergo a conformational switch leading to dimerization, proposed to be important for its vital and lethal functions. Although some aspects of interaction of AIF with NAD(+)/H have been analyzed, its precise mechanism is not fully understood. We investigated how the oxidized and photoreduced wild-type and G307A and -E variants of murine AIF associate with NAD(+)/H and nicotinamide mononucleotide (NMN(+)/H) to determine the role of the adenylate moiety in the binding process. Our results indicate that (i) the adenylate moiety of NAD(+)/H is crucial for the association with AIF and for the subsequent structural reorganization of the complex, but not for protein dimerization, (ii) FAD reduction rather than binding of NAD(+)/H to AIF initiates conformational rearrangement, and (iii) alteration of the adenylate-binding site by the G307E (equivalent to a pathological G308E mutation in human AIF) or G307A replacements decrease the affinity and association rate of NAD(+)/H, which, in turn, perturbs CT complex formation and protein dimerization but has no influence on the conformational switch in the regulatory peptide. PMID:26535916

  9. Label-free fluorescent molecular beacon based on a small fluorescent molecule non-covalently bound to the intentional gap site in the stem moiety.

    PubMed

    Gao, Qiang; Lin, Kai; Zhang, Hongge; Qi, Honglan; Zhang, Chengxiao

    2010-12-15

    A label-free fluorescent molecular beacon (MB) based on a fluorescent molecule, 5,6,7-trimethyl-1,8-naphthyridin-2-ylamine (ATMND) which is non-covalently bound to the intentional gap site in the stem moiety of the label-free MB, was developed. In the absence of a cDNA, ATMND fluorescence is significantly quenched because it binds to the unpaired cytosine at the gap site by hydrogen bonding. As a result, the label-free MB shows almost no fluorescence. Upon hybridization with cDNA, the label-free MB undergoes a conformational change to destroy the gap site. This results in an effective fluorescent enhancement because of the release of the ATMND from the gap site to the solution. Fluorescence titration shows that ATMND strongly binds to the cytosine at the gap site (K(11)>10(6)). Circular-dichroism spectroscopy indicates that the binding of ATMND at the gap site of the stem moiety does not induce a significant conformational change to the hairpin DNA. Under optimal conditions, the fluorescent intensity of the label-free MB increases with an increase in cDNA concentration from 50 nM to 1.5 μM. A detection limit of 20 nM cDNA was achieved. A single mismatched target ss-DNA can be effectively discriminated from cDNA. The advantage of the label-free MB is that both its ends can be left free to introduce other useful functionalities. In addition, the label-free MB synthesis introduced in this paper is relatively simple and inexpensive because no label is required. PMID:21111170

  10. The macroscopic rate of nucleic acid translocation by hepatitis C virus helicase NS3h is dependent on both sugar and base moieties.

    PubMed

    Khaki, Ali R; Field, Cassandra; Malik, Shuja; Niedziela-Majka, Anita; Leavitt, Stephanie A; Wang, Ruth; Hung, Magdeleine; Sakowicz, Roman; Brendza, Katherine M; Fischer, Christopher J

    2010-07-16

    The nonstructural protein 3 helicase (NS3h) of hepatitis C virus is a 3'-to-5' superfamily 2 RNA and DNA helicase that is essential for the replication of hepatitis C virus. We have examined the kinetic mechanism of the translocation of NS3h along single-stranded nucleic acid with bases uridylate (rU), deoxyuridylate (dU), and deoxythymidylate (dT), and have found that the macroscopic rate of translocation is dependent on both the base moiety and the sugar moiety of the nucleic acid, with approximate macroscopic translocation rates of 3 nt s(-1) (oligo(dT)), 35 nt s(-1) (oligo(dU)), and 42 nt s(-1) (oligo(rU)), respectively. We found a strong correlation between the macroscopic translocation rates and the binding affinity of the translocating NS3h protein for the respective substrates such that weaker affinity corresponded to faster translocation. The values of K(0.5) for NS3h translocation at a saturating ATP concentration are as follows: 3.3+/-0.4 microM nucleotide (poly(dT)), 27+/-2 microM nucleotide (poly(dU)), and 36+/-2 microM nucleotide (poly(rU)). Furthermore, results of the isothermal titration of NS3h with these oligonucleotides suggest that differences in TDeltaS(0) are the principal source of differences in the affinity of NS3h binding to these substrates. Interestingly, despite the differences in macroscopic translocation rates and binding affinities, the ATP coupling stoichiometries for NS3h translocation were identical for all three substrates (approximately 0.5 ATP molecule consumed per nucleotide translocated). This similar periodicity of ATP consumption implies a similar mechanism for NS3h translocation along RNA and DNA substrates. PMID:20451531

  11. A Nitric Oxide-Donor Furoxan Moiety Improves the Efficacy of Edaravone against Early Renal Dysfunction and Injury Evoked by Ischemia/Reperfusion

    PubMed Central

    Chiazza, Fausto; Chegaev, Konstantin; Rogazzo, Mara; Cutrin, Juan C.; Lazzarato, Loretta; Fruttero, Roberta

    2015-01-01

    Edaravone (5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, EDV) is a free-radical scavenger reduces organ ischemic injury. Here we investigated whether the protective effects of EDV in renal ischemia/reperfusion (I/R) injury may be enhanced by an EDV derivative bearing a nitric oxide- (NO-) donor furoxan moiety (NO-EDV). Male Wistar rats were subjected to renal ischemia (45 minutes), followed by reperfusion (6 hours). Administration of either EDV (1.2–6–30 µmol/kg, i.v.) or NO-EDV (0.3–1.2–6 µmol/kg, i.v.) dose-dependently attenuated markers of renal dysfunction (serum urea and creatinine, creatinine clearance, urine flow, urinary N-acetyl-β-D-glucosaminidase, and neutrophil gelatinase-associated lipocalin/lipocalin-2). NO-EDV exerted protective effects in the dose-range 1.2–6 µmol/kg, while a higher dose (30 µmol/kg) was needed to obtain protection by EDV. Both EDV and NO-EDV modulated tissue markers of oxidative stress and lipid peroxidation. NO-EDV, but not EDV, activated endothelial NO synthase (NOS) and blunted I/R-induced upregulation of inducible NOS, secondary to modulation of Akt and NF-κB activation, respectively. Besides NO-EDV administration inhibited I/R-induced IL-1β, IL-18, IL-6, and TNF-α overproduction. Overall, these findings demonstrate that the NO-donor moiety contributes to the protection against early renal I/R injury and suggest that NO-donor EDV codrugs are worthy of additional study as innovative pharmacological tools. PMID:25834700

  12. Final Technical Report

    SciTech Connect

    Brizard, Alain J

    2009-12-31

    Final Technical Report for U.S. Department of Energy Grant No. DE-FG02-09ER55005 Nonlinear FLR Effects in Reduced Fluid Models Alain J. Brizard, Saint Michael's College The above-mentioned DoE grant was used to support research activities by the PI during a sabbatical leave from Saint Michael's College in 2009. The major focus of the work was the role played by guiding-center and gyrocenter (linear and nonlinear) polarization and magnetization effects in understanding transport processes in turbulent magnetized plasmas. The theoretical tools used for this work include Lie-transform perturbation methods and Lagrangian (variational) methods developed by the PI in previous work. The present final technical report lists (I) the peer-reviewed publications that were written based on work funded by the Grant; (II) invited and contributed conference presentations during the period funded by the Grant; and (III) seminars presented during the period funded by the Grant. I. Peer-reviewed Publications A.J. Brizard and N. Tronko, 2011, Exact momentum conservation for the gyrokinetic Vlasov- Poisson equations, Physics of Plasmas 18 , 082307:1-14 [http://dx.doi.org/10.1063/1.3625554 ]. J. Decker, Y. Peysson, A.J. Brizard, and F.-X. Duthoit, 2010, Orbit-averaged guiding-center Fokker-Planck operator for numerical applications, Physics of Plasmas 17, 112513:1-12 [http://dx.doi.org/10.1063/1.3519514]. A.J. Brizard, 2010, Noether derivation of exact conservation laws for dissipationless reduced fluid models, Physics of Plasmas 17, 112503:1-8 [http://dx.doi.org/10.1063/1.3515303]. F.-X. Duthoit, A.J. Brizard, Y. Peysson, and J. Decker, 2010, Perturbation analysis of trapped particle dynamics in axisymmetric dipole geometry, Physics of Plasmas 17, 102903:1-9 [http://dx.doi.org/10.1063/1.3486554]. A.J. Brizard, 2010, Exact energy conservation laws for full and truncated nonlinear gyrokinetic equations, Physics of Plasmas 17, 042303:1-11 [http://dx.doi.org/10.1063/1.3374428]. A

  13. Reader-Centered Technical Writing

    NASA Astrophysics Data System (ADS)

    Narayanan, M.

    2012-12-01

    Technical writing is an essential part of professional communication and in recent years it has shifted from a genre-based approach. Formerly, technical writing primarily focused on generating templates of documents and sometimes it was creating or reproducing traditional forms with minor modifications and updates. Now, technical writing looks at the situations surrounding the need to write. This involves deep thinking about the goals and objectives of the project on hand. Furthermore, one observes that it is very important for any participatory process to have the full support of management. This support needs to be well understood and believed by employees. Professional writing may be very persuasive in some cases. When presented in the appropriate context, technical writing can persuade a company to improve work conditions ensuring employee safety and timely production. However, one must recognize that lot of professional writing still continues to make use of reports and instruction manuals. Normally, technical and professional writing addresses four aspects. Objective: The need for generating a given professionally written technical document and the goals the document is expected to achieve and accomplish. Clientele: The clientele who will utilize the technical document. This may include the people in the organization. This may also include "unintended readers." Customers: The population that may be affected by the content of the technical document generated. This includes the stakeholders who will be influenced. Environment: The background in which the document is created. Also, the nature of the situation that warranted the generation of the document. Swiss Psychologist Jean Piaget's view of Learning focuses on three aspects. The author likes to extend Jean Piaget's ideas to students, who are asked to prepare and submit Reader-Centered Technical Writing reports and exercises. Assimilation: Writers may benefit specifically, by assimilating a new object into

  14. 76 FR 71011 - Reliability Technical Conference Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-16

    ... Energy Regulatory Commission Reliability Technical Conference Agenda Reliability Technical Conference... Staff. Not consolidated. As announced in the Notice of Technical Conference issued on October 7, 2011, the Commission will hold a technical conference on Tuesday, November 29, 2011, from 1 p.m. to 5...

  15. 49 CFR 552.6 - Technical review.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 6 2012-10-01 2012-10-01 false Technical review. 552.6 Section 552.6... § 552.6 Technical review. The appropriate Associate Administrator conducts a technical review of the petition. The technical review may consist of an analysis of the material submitted, together...

  16. 49 CFR 552.6 - Technical review.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 6 2014-10-01 2014-10-01 false Technical review. 552.6 Section 552.6... § 552.6 Technical review. The appropriate Associate Administrator conducts a technical review of the petition. The technical review may consist of an analysis of the material submitted, together...

  17. 49 CFR 552.6 - Technical review.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 6 2011-10-01 2011-10-01 false Technical review. 552.6 Section 552.6... § 552.6 Technical review. The appropriate Associate Administrator conducts a technical review of the petition. The technical review may consist of an analysis of the material submitted, together...

  18. Research in Technical Communication. A Bibliographic Sourcebook.

    ERIC Educational Resources Information Center

    Moran, Michael G., Ed.; Journet, Debra, Ed.

    The essays in this volume enunciate the pressing need for a theoretical framework for the study of technical communication. The first part of the volume provides an overview of extensive ways to study technical communication. Subsequent chapters discuss humanistic approaches to technical communication, the history of technical communication,…

  19. Technical Support and Transfer of Geothrmal Technical Knowledge and Information

    SciTech Connect

    John W. Lund Tonya "Toni" Boyd

    2007-11-14

    The Geo-Heat Center (GHC) staff provided responses to 1442 technical support requests during the contract period (April 1, 2006 to September 30, 2007), which were six quarters under this contract. Our website, consisting of 1900 files, also contributes to our technical assistance activity. Downloaded files were 1,889,323 (3,448 per day) from our website, the total number of users was 1,365,258 (2,491 per day), and the total number of hits were 6,008,500 (10,064 per day). The GHC staff attended 60 workshops, short course and professional meeting and made 29 technical presentations. The staff also prepared and mailed out 2,000 copies of each of five issues of the GHC Quaterly Bulletin which contained 26 articles. We also mailed out approximately 5,000 papers and publications to interested individuals and organizations.

  20. Utilizing copper(I) catalyzed azide-alkyne Huisgen 1,3-dipolar cycloaddition for the surface modification of colloidal particles with electroactive and emissive moieties

    NASA Astrophysics Data System (ADS)

    Rungta, Parul

    The development of charge-transporting and fluorescing colloidal particles that can be directly printed into electroluminescent devices may result in a broad impact on the use of electrical energy for illumination. The objective of this work was to design and synthesize electroactive & fluorescing colloidal particles; establish their optical, electronic, and thermodynamic properties; and transition them into a device format for potential applications. The original intended application of this work was to build "better" colloidally-based organic light emitting devices (OLEDs) by creating functional particles with superior electrical and optical performance relative to commercially available technologies, but through the course of the research, the particles that were developed were found to be better suited for medical applications. Nonetheless, the global objective envisioned at the onset of this research was consistent with its final outcomes. The research tasks pursued to accomplish this global objective included: (1) The design and synthesis of electroactive moieties and their conversion into organic light emitting devices; An electron-transporting monomer was synthesized that was structurally & energetically similar to the small molecule 2-biphenyl-4-yl-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (tBu-PBD). The monomer was copolymerized with 2-(9H-carbazol-9-yl)ethyl 2-methylacrylate (CE) and the resulting copolymer was utilized in OLEDs which employed fluorescent coumarin 6 (C6) or phosphorescent tris(2-phenylpyridine)iridium(III) [Ir(ppy)3] emitters. The copolymer devices exhibited a mean luminance of ca. 400 and 3,552 cd/m2 with the C6 and Ir(ppy)3 emitters, that were stable with thermal aging at temperatures ranging from 23°C to 130°C. Comparable poly(9-vinyl-9H-carbazole)/tBu-PBD blend devices exhibited more pronounced variations in performance with thermal aging. (2) The surface-modification of colloids with electroactive & fluorescing moieties via "click

  1. The composing process in technical communication

    NASA Technical Reports Server (NTRS)

    Masse, R. E.

    1981-01-01

    The theory and application of the composing process in technical communications is addressed. The composing process of engineers, some implications for composing research for the teaching and research of technical communication, and an interpretation of the processes as creative experience are also discussed. Two areas of technical communications summarized concern: the rhetorical features of technical communications, and the theoretical background for a process-based view, a problem-solving approach to technical writing.

  2. CEEM Final Technical Report

    SciTech Connect

    Bowers, John

    2014-11-26

    concentrating photovoltaic applications thathave substantially higher efficiency than single substrate cells made of elemental semiconductors such as silicon. This task required the development of new cell bonding methods with excellent coupling of both photons and electrons between the sub-cells. To accomplish this, we developed (1) GaInN solar cells with enhanced performance by using quantum-well absorbers and front-surface optical texturing, (2) a hybrid "pillar-array" bond which uses an array of metal pillars for electrical coupling, and (3) a "hybrid moth-eye" optical coating which combines the benefits of nano-imprinted moth-eye coatings and traditional multilayer coatings. The technical effectiveness was assessed by measurement of the photovoltaic efficiency of solar cells made using these techniques; the ultrahigh efficiencies targeted by this work are of compelling economic value for concentrating photovoltaics.

  3. Technical Civilizations in the Galaxy

    NASA Technical Reports Server (NTRS)

    Jones, Harry

    2005-01-01

    Are there other technical civilizations in the galaxy? Past analyses come to different conclusions. Cocconi and Morrison demonstrated in 1959 that interstellar radio communication was possible and Drake conducted the first search for beacons in 1960. The Drake equation estimates the number of galactic civilizations that are transmitting beacons as the product of the rate of star formation in the galaxy, the fraction of stars with planets, their average number of earthlike planets, the fraction with intelligent life and interstellar communication, and the average lifetime of a technical civilization. The Drake model of the galaxy contains many technical civilizations with communication but no interstellar travel. Michael Hart in 1975 strongly challenged this model. Starting with the fact that no extraterrestrials have been observed on Earth, and assuming that interstellar colonization is possible, he concluded that it was very likely that we are the first civilization in our galaxy and that searching or beacons is probably a waste of time and money. The Fermi paradox similarly reasons that if extraterrestrials exist: they should be here, and asks, Where are they? The Hart/Fermi model of the galaxy contains only our civilization and suggests we may colonize the galaxy. A third galactic model is that we are alone but will never develop interstellar travel. The fourth alternate model has many technical civilizations, with interstellar travel and colonization. The possibilities are clear and momentous. Either we are the only technical civilization in the galaxy or there are others. Technical civilizations will colonize the galaxy or not. We have four cosmic conjectures - one or many, colonization or not - but however unlikely they seem based on our limited evidence, one of these four models must be collect.

  4. The Role of Technical Reports in Scienctific and Technical Communication.

    ERIC Educational Resources Information Center

    Brearley, Neil

    1973-01-01

    During the past 30 years the technical report has developed into an important primary medium of communication in science and technology, to the extent that it is sometimes seen as a threat to primary journal publication. At the same time the (unclassified) report has been accused of not meeting the same standards of authority, scientific rigor,…

  5. LANDFILL GAS ENERGY UTILIZATION: TECHNICAL AND NON-TECHNICAL CONSIDERATIONS

    EPA Science Inventory

    The paper discusses technical issues associated with the use of landfill gas (LFG) compared with natural gas--which is the primary fuel used for energy conversion equipment such as internal combustion engines, gas turbines, and fuel cells. FG is a medium-heating-value fuel contai...

  6. SWIFT Intensive Technical Assistance Process. Technical Assistance Brief #1

    ERIC Educational Resources Information Center

    Sailor, Wayne; McCart, Amy; McSheehan, Michael; Mitchiner, Melinda; Quirk, Carol

    2014-01-01

    The national center on Schoolwide Integrated Framework for Transformation (SWIFT Center) is now approaching the halfway point in its first full year of providing intensive technical assistance (TA) to 68 schools in 20 local educational agencies across five states. The purpose of this brief is to provide a thumbnail sketch of how this TA process…

  7. Technical Manual: easyCBM. Technical Report #1408

    ERIC Educational Resources Information Center

    Anderson, Daniel; Alonzo, Julie; Tindal, Gerald; Farley, Dan; Irvin, P. Shawn; Lai, Cheng-Fei; Saven, Jessica L.; Wray, Kraig A.

    2014-01-01

    Since the easyCBM© learning system was first published in 2006, over $8 million of federal funding (both from the Office of Special Education Programs and more recently from the Institute of Education Sciences) has been used to develop, study, and refine the assessments available on the system. This Technical Manual summarizes the ongoing research…

  8. SVC 2003 Technical Conference Summary

    SciTech Connect

    Martin, Peter M.

    2003-07-01

    The 46th Annual Technical Conference of the Society of Vacuum Coaters was held in San Francisco May 2-8. All the world events apparently did not affect the attendance or the spirit of the attendees. The Conference was a huge success and very well attended. Many feel that it was the best Techcon yet. This year's Conference really raised the bar for the 47th Annual Technical Conference in Dallas next year. Congratulations go out to the program committee, board of directors, education committee, scholarship committee and Management Plus for a job well done. Excellent accommodations were provided by the San Francisco Marriott.

  9. Orbital debris: A technical assessment

    NASA Technical Reports Server (NTRS)

    Gleghorn, George; Asay, James; Atkinson, Dale; Flury, Walter; Johnson, Nicholas; Kessler, Donald; Knowles, Stephen; Rex, Dietrich; Toda, Susumu; Veniaminov, Stanislav

    1995-01-01

    To acquire an unbiased technical assessment of (1) the research needed to better understand the debris environment, (2) the necessity and means of protecting spacecraft against the debris environment, and (3) potential methods of reducing the future debris hazard, NASA asked the National Research Council to form an international committee to examine the orbital debris issue. The committee was asked to draw upon available data and analyses to: characterize the current debris environment, project how this environment might change in the absence of new measures to alleviate debris proliferation, examine ongoing alleviation activities, explore measures to address the problem, and develop recommendations on technical methods to address the problems of debris proliferation.

  10. Lactobacillus casei Ferments the N-Acetylglucosamine Moiety of Fucosyl-α-1,3-N-Acetylglucosamine and Excretes l-Fucose

    PubMed Central

    Rodríguez-Díaz, Jesús; Rubio-del-Campo, Antonio

    2012-01-01

    We have previously characterized from Lactobacillus casei BL23 three α-l-fucosidases, AlfA, AlfB, and AlfC, which hydrolyze in vitro natural fucosyl-oligosaccharides. In this work, we have shown that L. casei is able to grow in the presence of fucosyl-α-1,3-N-acetylglucosamine (Fuc-α-1,3-GlcNAc) as a carbon source. Interestingly, L. casei excretes the l-fucose moiety during growth on Fuc-α-1,3-GlcNAc, indicating that only the N-acetylglucosamine moiety is being metabolized. Analysis of the genomic sequence of L. casei BL23 shows that downstream from alfB, which encodes the α-l-fucosidase AlfB, a gene, alfR, that encodes a transcriptional regulator is present. Divergently from alfB, three genes, alfEFG, that encode proteins with homology to the enzyme IIAB (EIIAB), EIIC, and EIID components of a mannose-class phosphoenolpyruvate:sugar phosphotransferase system (PTS) are present. Inactivation of either alfB or alfF abolishes the growth of L. casei on Fuc-α-1,3-GlcNAc. This proves that AlfB is involved in Fuc-α-1,3-GlcNAc metabolism and that the transporter encoded by alfEFG participates in the uptake of this disaccharide. A mutation in the PTS general component enzyme I does not eliminate the utilization of Fuc-α-1,3-GlcNAc, suggesting that the transport via the PTS encoded by alfEFG is not coupled to phosphorylation of the disaccharide. Transcriptional analysis with alfR and ccpA mutants shows that the two gene clusters alfBR and alfEFG are regulated by substrate-specific induction mediated by the inactivation of the transcriptional repressor AlfR and by carbon catabolite repression mediated by the catabolite control protein A (CcpA). This work reports for the first time the characterization of the physiological role of an α-l-fucosidase in lactic acid bacteria and the utilization of Fuc-α-1,3-GlcNAc as a carbon source for bacteria. PMID:22544237

  11. A comparison of the decomposition of electronically excited nitro-containing molecules with energetic moieties C-NO2, N-NO2, and O-NO2

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Atanu; Guo, Yuanqing; Bernstein, Elliot R.

    2012-01-01

    Decomposition of electronically excited nitro-containing molecules with different X-NO2 (X = C, N, O) moieties has been intensively investigated over the past decades; however, their decomposition behavior has not previously been compared and contrasted. Comparison of their unimolecular decomposition behavior is important for the understanding of the reactivity differences among electronically excited nitro-containing molecules with different X-NO2 (X = C, N, O) bond connections. Nitromethane (NM), dimethylnitramine (DMNA), and isopropylnitrate (IPN) are used as model molecules for C-NO2, N-NO2, and O-NO2 active moieties, respectively. Ultraviolet lasers at different wavelengths, such as 226, 236, and 193 nm, have been employed to prepare the excited states of these molecules. The decomposition products are then detected by resonance enhanced two photon ionization (R2PI), laser induced fluorescence (LIF) techniques, or single photon ionization at 10.5 eV. NO molecules are observed to be the major decomposition product from electronically excited NM, DMNA, IPN using R2PI techniques. The NO products from decomposition of electronically excited (226 and 236 nm) NM and IPN display similar rotational (600 K) and vibrational distributions [both (0-0) and (0-1) bands of the NO molecule are observed]. The NO product from DMNA shows rotational (120 K) and vibrational distributions (only (0-0) transition is observed) colder than those of NM and IPN. At the 193 nm excitation, electronically excited NO2 products are observed from NM and IPN via fluorescence detection, while no electronically excited NO2 products are observed from DMNA. Additionally, the OH radical is observed as a minor dissociation product from all three compounds. The major decomposition pathway of electronically excited NM and IPN involves fission of the X-NO2 bond to form electronically excited NO2 product, which further dissociates to generate NO. The production of NO molecules from electronically excited

  12. Lactobacillus casei ferments the N-Acetylglucosamine moiety of fucosyl-α-1,3-N-acetylglucosamine and excretes L-fucose.

    PubMed

    Rodríguez-Díaz, Jesús; Rubio-del-Campo, Antonio; Yebra, María J

    2012-07-01

    We have previously characterized from Lactobacillus casei BL23 three α-L-fucosidases, AlfA, AlfB, and AlfC, which hydrolyze in vitro natural fucosyl-oligosaccharides. In this work, we have shown that L. casei is able to grow in the presence of fucosyl-α-1,3-N-acetylglucosamine (Fuc-α-1,3-GlcNAc) as a carbon source. Interestingly, L. casei excretes the L-fucose moiety during growth on Fuc-α-1,3-GlcNAc, indicating that only the N-acetylglucosamine moiety is being metabolized. Analysis of the genomic sequence of L. casei BL23 shows that downstream from alfB, which encodes the α-L-fucosidase AlfB, a gene, alfR, that encodes a transcriptional regulator is present. Divergently from alfB, three genes, alfEFG, that encode proteins with homology to the enzyme IIAB (EIIAB), EIIC, and EIID components of a mannose-class phosphoenolpyruvate:sugar phosphotransferase system (PTS) are present. Inactivation of either alfB or alfF abolishes the growth of L. casei on Fuc-α-1,3-GlcNAc. This proves that AlfB is involved in Fuc-α-1,3-GlcNAc metabolism and that the transporter encoded by alfEFG participates in the uptake of this disaccharide. A mutation in the PTS general component enzyme I does not eliminate the utilization of Fuc-α-1,3-GlcNAc, suggesting that the transport via the PTS encoded by alfEFG is not coupled to phosphorylation of the disaccharide. Transcriptional analysis with alfR and ccpA mutants shows that the two gene clusters alfBR and alfEFG are regulated by substrate-specific induction mediated by the inactivation of the transcriptional repressor AlfR and by carbon catabolite repression mediated by the catabolite control protein A (CcpA). This work reports for the first time the characterization of the physiological role of an α-L-fucosidase in lactic acid bacteria and the utilization of Fuc-α-1,3-GlcNAc as a carbon source for bacteria. PMID:22544237

  13. An additional fluorenylmethoxycarbonyl (Fmoc) moiety in di-Fmoc-functionalized L-lysine induces pH-controlled ambidextrous gelation with significant advantages.

    PubMed

    Reddy, Samala Murali Mohan; Shanmugam, Ganesh; Duraipandy, Natarajan; Kiran, Manikantan Syamala; Mandal, Asit Baran

    2015-11-01

    In recent years, several fluorenylmethoxycarbonyl (Fmoc)-functionalized amino acids and peptides have been used to construct hydrogels, which find a wide range of applications. Although several hydrogels have been prepared from mono Fmoc-functionalized amino acids, herein, we demonstrate the importance of an additional Fmoc-moiety in the hydrogelation of double Fmoc-functionalized L-lysine [Fmoc(Nα)-L-lysine(NεFmoc)-OH, (Fmoc-K(Fmoc))] as a low molecular weight gelator (LMWG). Unlike other Fmoc-functionalized amino acid gelators, Fmoc-K(Fmoc) exhibits pH-controlled ambidextrous gelation (hydrogelation at different pH values as well as organogelation), which is significant among the gelators. Distinct fibrous morphologies were observed for Fmoc-K(Fmoc) hydrogels formed at different pH values, which are different from organogels in which Fmoc-K(Fmoc) showed bundles of long fibers. In both hydrogels and organogels, the self-assembly of Fmoc-K(Fmoc) was driven by aromatic π-π stacking and hydrogen bonding interactions, as evidenced from spectroscopic analyses. Characterization of Fmoc-K(Fmoc) gels using several biophysical methods indicates that Fmoc-K(Fmoc) has several advantages and significant importance as a LMWG. The advantages of Fmoc-K(Fmoc) include pH-controlled ambidextrous gelation, pH stimulus response, high thermal stability (∼100 °C) even at low minimum hydrogelation concentration (0.1 wt%), thixotropic property, high kinetic and mechanical stability, dye removal properties, cell viability to the selected cell type, and as a drug carrier. While single Fmoc-functionalized L-lysine amino acids failed to exhibit gelation under similar experimental conditions, the pH-controlled ambidextrous gelation of Fmoc-K(Fmoc) demonstrates the benefit of a second Fmoc moiety in inducing gelation in a LMWG. We thus strongly believe that the current findings provide a lead to construct or design various new synthetic Fmoc-based LMW organic gelators for several

  14. Structural insights into the specific anti-HIV property of actinohivin: structure of its complex with the α(1–2)mannobiose moiety of gp120

    SciTech Connect

    Hoque, M. Mominul; Suzuki, Kaoru; Tsunoda, Masaru; Jiang, Jiandong; Zhang, Fang; Takahashi, Atsushi; Ohbayashi, Naomi; Zhang, Xiaoxue; Tanaka, Haruo; Ōmura, Satoshi; Takénaka, Akio

    2012-12-01

    X-ray analysis of anti-HIV actinohivin in complex with the target α(1-2)mannobiose moiety of high-mannose type glycans attached to HIV-1 gp120 reveals that the three rotamers generated with 120 rotations around the molecular pseudo-rotation axis are packed randomly in the unit cell according to the P2{sub 1}2{sub 1}2{sub 1} symmetry to exhibit an apparent space group P2{sub 1}3 as the statistical structure. However, the high-resolution X-ray structure shows the detailed interaction geometry for specific binding. Actinohivin (AH) is an actinomycete lectin with a potent specific anti-HIV activity. In order to clarify the structural evidence for its specific binding to the α(1–2)mannobiose (MB) moiety of the D1 chains of high-mannose-type glycans (HMTGs) attached to HIV-1 gp120, the crystal structure of AH in complex with MB has been determined. The AH molecule is composed of three identical structural modules, each of which has a pocket in which an MB molecule is bound adopting a bracket-shaped conformation. This conformation is stabilized through two weak C—H⋯O hydrogen bonds facilitated by the α(1–2) linkage. The binding features in the three pockets are quite similar to each other, in accordance with the molecular pseudo-threefold symmetry generated from the three tandem repeats in the amino-acid sequence. The shape of the pocket can accept two neighbouring hydroxyl groups of the O{sup 3} and O{sup 4} atoms of the equatorial configuration of the second mannose residue. To recognize these atoms through hydrogen bonds, an Asp residue is located at the bottom of each pocket. Tyr and Leu residues seem to block the movement of the MB molecules. Furthermore, the O{sup 1} atom of the axial configuration of the second mannose residue protrudes from each pocket into an open space surrounded by the conserved hydrophobic residues, suggesting an additional binding site for the third mannose residue of the branched D1 chain of HMTGs. These structural features

  15. NSF Examines Technical Job Characteristics

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1976

    1976-01-01

    Using 1972 statistics, examines the following job characteristics of chemists, chemical engineers, and other technical professionals: type of job, tenure in 1972 jobs, status prior to obtaining those jobs, tendency to hold a second job, and basic salary level in the primary job. (MLH)

  16. Mechanical Engineering Department technical review

    SciTech Connect

    Carr, R.B.; Abrahamson, L.; Denney, R.M.; Dubois, B.E

    1982-01-01

    Technical achievements and publication abstracts related to research in the following Divisions of Lawrence Livermore Laboratory are reported in this biannual review: Nuclear Fuel Engineering; Nuclear Explosives Engineering; Weapons Engineering; Energy Systems Engineering; Engineering Sciences; Magnetic Fusion Engineering; and Material Fabrication. (LCL)

  17. Hydrogen Delivery Technical Team Roadmap

    SciTech Connect

    2013-06-01

    The mission of the Hydrogen Delivery Technical Team (HDTT) is to enable the development of hydrogen delivery technologies, which will allow for fuel cell competitiveness with gasoline and hybrid technologies by achieving an as-produced, delivered, and dispensed hydrogen cost of $2-$4 per gallon of gasoline equivalent of hydrogen.

  18. Defense Technical Information Center thesaurus

    SciTech Connect

    Dickert, J.H.

    1996-10-01

    This DTIC Thesaurus provides a basic multidisciplinary subject term vocabulary used by DTIC to index and retrieve scientific and technical information from its various data bases and to aid DTIC`s users in their information storage and retrieval operations. It includes an alphabetical posting term display, a hierarchy display, and a Keywork Out of Context (KWOC) display.

  19. Surprising Beauty in Technical Photography

    ERIC Educational Resources Information Center

    Davidhazy, Andrew

    2009-01-01

    The Imaging and Photographic Technology area, in which the author teaches, is an applications- and technology-oriented photography program designed to prepare students for work in technical, corporate, industrial, and scientific environments. One day, the author received an e-mail message from an editor who had found his Web site and thought he…

  20. Atmospheric Research 2011 Technical Highlights

    NASA Technical Reports Server (NTRS)

    2012-01-01

    The 2011 Technical Highlights describes the efforts of all members of Atmospheric Research. Their dedication to advancing Earth Science through conducting research, developing and running models, designing instruments, managing projects, running field campaigns, and numerous other activities, is highlighted in this report.

  1. GROUND WATER TECHNICAL SUPPORT CENTER

    EPA Science Inventory

    EPA's Office of Research and Development operates a Ground Water Technical Support Center (GWTSC). The Center provides support on issues regarding subsurface contamination, contaminant fluxes to other media (e.g., surface water or air), and ecosystem restoration. The GWTSC creat...

  2. Metric Supplement to Technical Drawing.

    ERIC Educational Resources Information Center

    Henschel, Mark

    This manual is intended for use in training persons whose vocations involve technical drawing to use the metric system of measurement. It could be used in a short course designed for that purpose or for individual study. The manual begins with a brief discussion of the rationale for conversion to the metric system. It then provides a…

  3. Handbook of sensor technical characteristics

    NASA Technical Reports Server (NTRS)

    Tanner, S.

    1982-01-01

    Space and terrestrial applications remote sensor systems are described. Each sensor is presented separately. Information is included on its objectives, description, technical characteristics, data products obtained, data archives location, period of operation, and measurement and potential derived parameters. Each sensor is cross indexed.

  4. Gigabit Ethernet: A Technical Assessment.

    ERIC Educational Resources Information Center

    Axner, David

    1997-01-01

    Describes gigabit ethernet for LAN (local area network) technology that will expand ethernet bandwidth. Technical details are discussed, including protocol stacks, optical fiber, deployment strategy for performance improvement, ATM (Asynchronous Transfer Mode), real-time protocol, reserve reservation protocol, and standards. (LRW)

  5. Autobody Technology. Technical Committee Report.

    ERIC Educational Resources Information Center

    Idaho State Dept. of Education, Boise. Div. of Vocational Education.

    This Technical Committee Report prepared by industry representatives in Idaho lists the skills currently necessary for an employee in that state to obtain a job in autobody technology, retain a job once hired, and advance in that occupational field. (Task lists are grouped according to duty areas generally used in industry settings and are used as…

  6. ACCREDITING TECHNICAL-VOCATIONAL PROGRAMS.

    ERIC Educational Resources Information Center

    DAVIS, RICHARD H.

    TRADITIONAL REQUIREMENTS FOR MEMBERSHIP AND ACCREDITATION IN THE NORTH CENTRAL ASSOCIATION (CHARTERED OR NONPROFIT STATUS, DEGREE-GRANTING STATUS) SHOULD NOT PRESENT IMPORTANT PROBLEMS AS THE ASSOCIATION BEGINS THE PROCESS OF EVALUATING TECHNICAL AND VOCATIONAL PROGRAMS. PROBLEMS WHICH MUST BE CONSIDERED, HOWEVER, INCLUDE (1) PREPARATION OF…

  7. Technical Specifications. Revision No. 1.

    ERIC Educational Resources Information Center

    Mississippi State Dept. of Education, Jackson. Office of Educational Technology.

    The technical specifications for educational technology in the state of Mississippi which are contained in this publication represent the minimum criteria for utilization of the equipment. Information is provided for PC (personal computer) and Macintosh platforms where applicable on: workstation specifications; multimedia/teacher presentation…

  8. Consolidated incineration facility technical support

    SciTech Connect

    Burns, D.; Looper, M.G.

    1993-12-31

    In 1996, the Savannah River Site plans to begin operation of the Consolidated Incineration Facility (CIF) to treat solid and liquid RCRA hazardous and mixed wastes. The Savannah River Technology Center (SRTC) leads an extensive technical support program designed to obtain incinerator and air pollution control equipment performance data to support facility start-up and operation. Key components of this technical support program include recently completed waste burn tests at both EPA`s Incineration Research Facility and at Energy and Environmental Research Corporation`s Solid Waste Incineration Test Facility. The main objectives for these tests were determining the fate of heavy metals, measuring organics destruction and removal efficiencies, and quantifying incinerator offgas particulate loading and size distribution as a function of waste feed characteristics and incineration conditions. In addition to these waste burning tests, the SRTC has recently completed installations of the Offgas Components Test Facility (OCTF), a 1/10 scale CIF offgas system pilot plant. This pilot facility will be used to demonstrate system operability and maintainability, evaluate and optimize equipment and instrument performance, and provide direct CIF start-up support. Technical support programs of this type are needed to resolve technical issues related with treatment and disposal of combustible hazardous, mixed, and low-level radioactive waste. Implementation of this program will minimize facility start-up problems and help insure compliance with all facility performance requirements.

  9. The NAEP 1992 Technical Report.

    ERIC Educational Resources Information Center

    Johnson, Eugene G.; And Others

    The 1992 National Assessment of Educational Progress (NAEP) monitored the performance of students in American schools in reading, mathematics, science, and writing. The sample consisted of more than 145,000 public and private school students in grades 4, 8, 11, and 12. This technical report provides details of instrument development, sample…

  10. DOE FINAL TECHNICAL REPORT RP

    SciTech Connect

    RUSS PETERMAN

    2012-01-01

    The City of Georgetown Utility Systems (GUS) patnered with the private sector, the American Public Power Association (APPA) and Southwestern University to design, construct, test and monitor a solar co-generation system directly connected to the GUS electric distribution system. This report consists of the Primary Technical Report and 3 attachments.

  11. Vermont Technical Education Commission Report.

    ERIC Educational Resources Information Center

    Vermont State Technical Education Commission, Montpelier.

    A 1968 New England Regional Commission grant to the Vermont Department of Administration financed a feasibility study for a technical college at the postsecondary level. The commission undertook two specific studies: an examination of ultimate career destinations of Vermont secondary students and a survey of Vermont industry to determine immediate…

  12. Career Technical Education Pathways Initiative

    ERIC Educational Resources Information Center

    California Community Colleges, Chancellor's Office, 2013

    2013-01-01

    California's education system--the largest in the United States--is an essential resource for ensuring strong economic growth in the state. The Career Technical Education Pathways Initiative (referred to as the Initiative in this report), which became law in 2005, brings together community colleges, K-12 school districts, employers, organized…

  13. Why technical-market research?

    PubMed

    Lauglaug, A S

    1992-01-01

    Customers frequently need assistance in knowing what they want or might need. One process, technical-market research, helps understand the mind of the consumer so that the voice of the customer can be better translated into new products by designers, engineers, and marketers. PMID:10121459

  14. Metrication and the Technical Teacher

    ERIC Educational Resources Information Center

    Irving, Michael

    1975-01-01

    The conclusion of the two-part feature on the S1 metric (International System of Units) reviews the basics and some of the rules technical teachers need to know in order to prepare their students for the changing world. (Author)

  15. technical Hexachlorocyclohexane (t-HCH)

    Integrated Risk Information System (IRIS)

    technical Hexachlorocyclohexane ( t - HCH ) ; CASRN 608 - 73 - 1 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Asses

  16. TADS: Technical Assistance Development System.

    ERIC Educational Resources Information Center

    Epting, Rosemary, Ed.

    Described is the Technical Assistance Development System (TADS), a component of the Frank Porter Graham Child Development Center of the University of North Carolina at Chapel Hill which offers support services to preschool demonstration centers for handicapped children in the First Chance Network. Discussed are the four types of services offered:…

  17. Pharmacy Technician. Technical Committee Report.

    ERIC Educational Resources Information Center

    Idaho State Dept. of Education, Boise. Div. of Vocational Education.

    This report contains the task list for the pharmacy technician program in the state of Idaho. The task list reflects the current trends and skills necessary for an employee to obtain a job in this industry in Idaho, retain a job once hired, and advance in the occupational field. Technical information provided includes program area, program title,…

  18. Electronic Technology. Technical Committee Report.

    ERIC Educational Resources Information Center

    Idaho State Dept. of Education, Boise. Div. of Vocational Education.

    This Technical Committee Report prepared by industry representatives in Idaho lists the skills currently necessary for an employee in that state to obtain a job in electronic technology, retain a job once hired, and advance in that occupational field. (Task lists are grouped according to duty areas generally used in industry settings, and are used…

  19. Condensing Algebra for Technical Mathematics.

    ERIC Educational Resources Information Center

    Greenfield, Donald R.

    Twenty Algebra-Packets (A-PAKS) were developed by the investigator for technical education students at the community college level. Each packet contained a statement of rationale, learning objectives, performance activities, performance test, and performance test answer key. The A-PAKS condensed the usual sixteen weeks of algebra into a six-week…

  20. Modularized training for technical editors

    SciTech Connect

    Murphy, P.W.

    1988-09-08

    This paper outlines the editorial services provided at the Lawrence Livermore National Laboratory (LLNL), sketches a syllabus of basic training for technical editors, describes the approach being used to develop this cost-effective individualized instruction for editors (experienced or not) new to work at LLNL, and enumerates the advantages of this approach. 8 refs.