A practical and catalyst-free trifluoroethylation reaction of amines using trifluoroacetic acid

Science.gov (United States)

Andrews, Keith G.; Faizova, Radmila; Denton, Ross M.

2017-06-01

Amines are a fundamentally important class of biologically active compounds and the ability to manipulate their physicochemical properties through the introduction of fluorine is of paramount importance in medicinal chemistry. Current synthesis methods for the construction of fluorinated amines rely on air and moisture sensitive reagents that require special handling or harsh reductants that limit functionality. Here we report practical, catalyst-free, reductive trifluoroethylation reactions of free amines exhibiting remarkable functional group tolerance. The reactions proceed in conventional glassware without rigorous exclusion of either moisture or oxygen, and use trifluoroacetic acid as a stable and inexpensive fluorine source. The new methods provide access to a wide range of medicinally relevant functionalized tertiary β-fluoroalkylamine cores, either through direct trifluoroethylation of secondary amines or via a three-component coupling of primary amines, aldehydes and trifluoroacetic acid. A reduction of in situ-generated silyl ester species is proposed to account for the reductive selectivity observed.

Characterization of an Indole-3-Acetamide Hydrolase from Alcaligenes faecalis subsp. parafaecalis and Its Application in Efficient Preparation of Both Enantiomers of Chiral Building Block 2,3-Dihydro-1,4-Benzodioxin-2-Carboxylic Acid.

Directory of Open Access Journals (Sweden)

Pradeep Mishra

Full Text Available Both the enantiomers of 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid are valuable chiral synthons for enantiospecific synthesis of therapeutic agents such as (S-doxazosin mesylate, WB 4101, MKC 242, 2,3-dihydro-2-hydroxymethyl-1,4-benzodioxin, and N-[2,4-oxo-1,3-thiazolidin-3-yl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide. Pharmaceutical applications require these enantiomers in optically pure form. However, currently available methods suffer from one drawback or other, such as low efficiency, uncommon and not so easily accessible chiral resolving agent and less than optimal enantiomeric purity. Our interest in finding a biocatalyst for efficient production of enantiomerically pure 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid lead us to discover an amidase activity from Alcaligenes faecalis subsp. parafaecalis, which was able to kinetically resolve 2,3-dihydro-1,4-benzodioxin-2-carboxyamide with E value of >200. Thus, at about 50% conversion, (R-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid was produced in >99% e.e. The remaining amide had (S-configuration and 99% e.e. The amide and acid were easily separated by aqueous (alkaline-organic two phase extraction method. The same amidase was able to catalyse, albeit at much lower rate the hydrolysis of (S-amide to (S-acid without loss of e.e. The amidase activity was identified as indole-3-acetamide hydrolase (IaaH. IaaH is known to catalyse conversion of indole-3-acetamide (IAM to indole-3-acetic acid (IAA, which is phytohormone of auxin class and is widespread among plants and bacteria that inhabit plant rhizosphere. IaaH exhibited high activity for 2,3-dihydro-1,4-benzodioxin-2-carboxamide, which was about 65% compared to its natural substrate, indole-3-acetamide. The natural substrate for IaaH indole-3-acetamide shared, at least in part a similar bicyclic structure with 2,3-dihydro-1,4-benzodioxin-2-carboxamide, which may account for high activity of enzyme towards this un-natural substrate. To

Characterization of an Indole-3-Acetamide Hydrolase from Alcaligenes faecalis subsp. parafaecalis and Its Application in Efficient Preparation of Both Enantiomers of Chiral Building Block 2,3-Dihydro-1,4-Benzodioxin-2-Carboxylic Acid.

Science.gov (United States)

Mishra, Pradeep; Kaur, Suneet; Sharma, Amar Nath; Jolly, Ravinder S

2016-01-01

Both the enantiomers of 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid are valuable chiral synthons for enantiospecific synthesis of therapeutic agents such as (S)-doxazosin mesylate, WB 4101, MKC 242, 2,3-dihydro-2-hydroxymethyl-1,4-benzodioxin, and N-[2,4-oxo-1,3-thiazolidin-3-yl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide. Pharmaceutical applications require these enantiomers in optically pure form. However, currently available methods suffer from one drawback or other, such as low efficiency, uncommon and not so easily accessible chiral resolving agent and less than optimal enantiomeric purity. Our interest in finding a biocatalyst for efficient production of enantiomerically pure 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid lead us to discover an amidase activity from Alcaligenes faecalis subsp. parafaecalis, which was able to kinetically resolve 2,3-dihydro-1,4-benzodioxin-2-carboxyamide with E value of >200. Thus, at about 50% conversion, (R)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid was produced in >99% e.e. The remaining amide had (S)-configuration and 99% e.e. The amide and acid were easily separated by aqueous (alkaline)-organic two phase extraction method. The same amidase was able to catalyse, albeit at much lower rate the hydrolysis of (S)-amide to (S)-acid without loss of e.e. The amidase activity was identified as indole-3-acetamide hydrolase (IaaH). IaaH is known to catalyse conversion of indole-3-acetamide (IAM) to indole-3-acetic acid (IAA), which is phytohormone of auxin class and is widespread among plants and bacteria that inhabit plant rhizosphere. IaaH exhibited high activity for 2,3-dihydro-1,4-benzodioxin-2-carboxamide, which was about 65% compared to its natural substrate, indole-3-acetamide. The natural substrate for IaaH indole-3-acetamide shared, at least in part a similar bicyclic structure with 2,3-dihydro-1,4-benzodioxin-2-carboxamide, which may account for high activity of enzyme towards this un-natural substrate. To the best of

The 18F-labelled alkylating agent 2,2,2-trifluoroethyl triflate: synthesis and specific activity

International Nuclear Information System (INIS)

Johnstroem, P.; Stone-Elander, S.

1995-01-01

A method for synthesizing the alkylating agent 2,2,2-trifluoroethyl triflate labelled with [ 18 ]fluoride in the two position is presented. Ethyl [2- 18 )F]-trifluoroacetate was synthesized by the nucleophilic reaction of [ 18 F]F - with ethyl bromodifluoroacetate in DMSO (45-60%, 5 min, 80 o C) and subsequently converted to [2- 18 F]-2,2,2-trifluoroethanol using alane in THF (85-95%, 2 min, 40 o C. Reaction with triflic anhydride in 2,6-lutidine produced [2- 18 F]-2,2,2-trifluoroethyl triflate (70-80%, 1 min, 0 o C. In all three cases the product was removed from the reaction vessel by heating to distil under a stream of nitrogen. [2- 18 F]-2,2,2-Trifluoroethyl triflate was used to label 2-oxoquazepam by N-alkylation in a toulene:DMF mixture (80-85%, 20 min, 120 o C). Although no-carrier-added [ 18 )F]F - was used, considerable unlabelled ethyl trifluoroacetate was produced in the first reaction. Varying the conditions for the fluoro-debromination reaction did not appreciably improve the relative ratio of labelled to unlabelled ester. The specific activity of the labelled 1,4-benzodiazepine-2-one obtained from 1850 MBq [ 18 F]F - was found to be ≅37 MBq/μmol (1mCi/μmol). (Author)

Metabolism of leukotriene B4 to dihydro and dihydro-oxo products by porcine leukocytes

International Nuclear Information System (INIS)

Powell, W.S.; Gravelle, F.

1989-01-01

Porcine leukocytes contain a novel pathway for the metabolism of leukotriene B4 (LTB4) which results in reduction of the conjugated triene chromophore to a conjugated diene. These cells converted LTB4 to two major metabolites, both of which exhibited maximal absorbance at 230 nm in their UV spectra. These products were purified by high pressure liquid chromatography and identified as 10, 11-dihydro-LTB4 and 10,11-dihydro-12-oxo-LTB4 on the basis of the mass spectra of various derivatives. The position of the double bond of LTB4 which had been reduced was established by cleaving the remaining double bonds of 10, 11-dihydro-LTB4 with ozone followed by oxidation or reduction of the resulting ozonide and analysis of the products by mass spectrometry. Experiments with deuterium-labeled substrate indicated that LTB4 could be directly converted to 10, 11-dihydro-LTB4 without the prior oxidation of either of its hydroxyl groups, as is required for the formation of dihydro metabolites of prostaglandins. Incubation of porcine leukocytes with 10, 11-dihydro-LTB4 and 10, 11-dihydro-12-oxo-LTB4 indicated that these two products can be interconverted and are in equilibrium with one another. The dihydro-oxo metabolite can therefore be formed from 10, 11-dihydro-LTB4, although we have not ruled out the possibility that it is also produced via 12-oxo-LTB4, which could be a transitory intermediate. These results indicate that porcine leukocytes contain a novel reductase/dehydrogenase pathway distinct from the pathway responsible for the metabolism of prostaglandins. This pathway is also different from the pathway in human polymorphonuclear leukocytes which converts 6-trans-isomers of LTB4 to dihydro products, since the latter pathway involves 5-oxo intermediates and results in a shift in the positions of the remaining double bonds

Cytoprotection of human endothelial cells against oxidative stress by 1-[2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oyl]imidazole (CDDO-Im): application of systems biology to understand the mechanism of action.

Science.gov (United States)

Wang, Xinyu; Bynum, James A; Stavchansky, Solomon; Bowman, Phillip D

2014-07-05

Cellular damage from oxidative stress, in particular following ischemic injury, occurs during heart attack, stroke, or traumatic injury, and is potentially reducible with appropriate drug treatment. We previously reported that caffeic acid phenethyl ester (CAPE), a plant-derived polyphenolic compound, protected human umbilical vein endothelial cells (HUVEC) from menadione-induced oxidative stress and that this cytoprotective effect was correlated with the capacity to induce heme oxygenase-1 (HMOX1) and its protein product, a phase II cytoprotective enzyme. To further improve this cytoprotective effect, we studied a synthetic triterpenoid, 1-[2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oyl]imidazole (CDDO-Im), which is known as a potent phase II enzyme inducer with antitumor and anti-inflammatory activities, and compared it to CAPE. CDDO-Im at 200nM provided more protection to HUVEC against oxidative stress than 20μM CAPE. We explored the mechanism of CDDO-Im cytoprotection with gene expression profiling and pathway analysis and compared to that of CAPE. In addition to potent up-regulation of HMOX1, heat shock proteins (HSP) were also found to be highly induced by CDDO-Im in HUVEC. Pathway analysis results showed that transcription factor Nrf2-mediated oxidative stress response was among the top canonical pathways commonly activated by both CDDO-Im and CAPE. Compared to CAPE, CDDO-Im up-regulated more HSP and some of them to a much higher extent. In addition, CDDO-Im treatment affected Nrf2 pathway more significantly. These findings may provide an explanation why CDDO-Im is a more potent cytoprotectant than CAPE against oxidative stress in HUVEC. Copyright © 2014 Elsevier B.V. All rights reserved.

Biocatalytic ammonolysis of (5S)-4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl)-5-ethyl ester: preparation of an intermediate to the dipeptidyl peptidase IV inhibitor Saxagliptin.

Science.gov (United States)

Gill, Iqbal; Patel, Ramesh

2006-02-01

An efficient biocatalytic method has been developed for the conversion of (5S)-4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl)-5-ethyl ester (1) into the corresponding amide (5S)-5-aminocarbonyl-4,5-dihydro-1H-pyrrole-1-carboxylic acid, 1-(1,1-dimethylethyl)ester (2), which is a critical intermediate in the synthesis of the dipeptidyl peptidase IV (DPP4) inhibitor Saxagliptin (3). Candida antartica lipase B mediates ammonolysis of the ester with ammonium carbamate as ammonia donor to yield up to 71% of the amide. The inclusion of Ascarite and calcium chloride as adsorbents for carbon dioxide and ethanol byproducts, respectively, increases the yield to 98%, thereby offering an efficient and practical alternative to chemical routes which yield 57-64%.

Bioactivation mechanism of the cytotoxic and nephrotoxic S-conjugate S-(2-chloro-1,1,2-trifluoroethyl)-L-cysteine

International Nuclear Information System (INIS)

Dekant, W.; Lash, L.H.; Anders, M.W.

1987-01-01

The bioactivation of S-(2-chloro-1,1,2-trifluoroethyl)-L-cysteine (CTFC) was studied with purified bovine kidney cysteine conjugate β-lyase and with N-dodecylpyridoxal bromide in cetyltrimethylammonium bromide micelles as a pyridoxal model system. The β-lyase and the pyridoxal model system converted CTFC to chlorofluoroacetic acid and inorganic fluoride, which were identified by 19 F NMR spectrometry. 2-Chloro-1,1,2-trifluoroethanethiol and chlorofluorothionoacetyl fluoride were formed as metabolites of CTFC and were trapped with benzyl bromide and diethylamine, respectively, to yield benzyl 2-chloro-1,1,2-trifluoroethyl sulfide and N,N-diethyl chlorofluorothioacetamide, which were identified by gas chromatography/mass spectrometry. The bioactivation mechanism of CTFC therefore involves the initial formation of the unstable thiol 2-chloro-1,1,2-trifluoroethanethiol, which loses hydrogen fluoride to form the acylating agent chlorofluorothionoacetyl fluoride; hydrolysis of the thionoacyl fluoride affords the stable, terminal metabolites chlorofluoroacetic acid and inorganic fluoride. The intermediate acylating agent and chlorofluoroacetic acid may contribute to the cytotoxic effects of CTFC

D/H ratio for Jupiter

International Nuclear Information System (INIS)

Smith, H.; Schempp, W.V.; Baines, K.H.

1989-01-01

Observations of Jupiter's spectrum near the R5(0) HD line at 6063.88 A are reported. A feature with an equivalent width of 0.065 + or - 0.021 mA is coincident with the expected line. This feature is compared with HD profiles computed for inhomogeneous scattering models for Jupiter to yield a range for the Jovian D/H ratio of 1.0-2.9 x 10 to the -5th. This D/H ratio is in the lower range of previously reported D/H values for Jupiter and corresponds to an essentially solar D/H ratio for Jupiter. The detection of HD features in the presence of probable blends with spectral features of minor atmospheric hydrocarbon molecules is discussed. Such blends may make unambiguous identification of HD features difficult. 26 references

75 FR 53861 - Airworthiness Directives; Robert E. Rust, Jr. Model DeHavilland DH.C1 Chipmunk 21, DH.C1 Chipmunk...

Science.gov (United States)

2010-09-02

... Airworthiness Directives; Robert E. Rust, Jr. Model DeHavilland DH.C1 Chipmunk 21, DH.C1 Chipmunk 22, and DH.C1...). ACTION: Final rule. SUMMARY: We are adopting a new airworthiness directive (AD) for all Robert E. Rust... CFR part 39) to include an AD that would apply to all Robert E. Rust, Jr. Models DeHavilland DH.C1...

4DH Research In A European Context

DEFF Research Database (Denmark)

Connolly, David; Mathiesen, Brian Vad; Lund, Henrik

District heating is essential to achieve a fossil free society in Denmark and the EU. 4DH is an international research centre which develops 4th Generation District Heating Technologies and Systems (www.4dh.dk). In 4DH synergies are created between 1) Grids and components for low temperature...... district heating, 2) Analyses of production and system integration, and 3) Tools and methodologies for planning and implementation. With lower and more flexible distribution lower temperatures renewable energy sources can be utilized, while cost effectively meeting the requirements of low-energy buildings...... and energy conservation measures in the existing building stock. In Heat Roadmap Europe, the principals developed under the 4DH project have been applied at an EU level to demonstrate how district heating can reduce the cost of a low-carbon EU energy system by €100 billion per year (www.heatroadmap.eu)....

Kinetics of dihydro-dibenz[b,f]azepine derivatives sublimation

International Nuclear Information System (INIS)

Krongauz, V.V.; Ling, M.T.K.; Woo, L.; Purohit, U.

2007-01-01

Sublimation of dihydro-dibenz[b,f]azepine derivatives upon heating was studied and confirmed by thermogravimetry (TGA) and differential scanning calorimetry (DSC). DSC was used to analyze thermodynamics of melting. The kinetics of dihydro-dibenz[b,f]azepine derivatives sublimation were monitored by TGA as a function of temperature. Activation energies of sublimation were deduced and correlated with melting enthalpies and molecular structure. The results indicated that the sublimation was controlled by intermolecular forces in the crystalline lattice of dihydro-dibenz[b,f]azepine derivatives

Study on selective separation of uranium(VI) by new N,N-dialkyl carboxy-amides

International Nuclear Information System (INIS)

Suzuki, Shinichi; Sugo, Yumi; Kimura, Takaumi; Yaita, Tsuyoshi

2007-01-01

and group separation of Pu-Np linear alkyl type N,N-di-alkyl carboxy-amide for FBR and LWR spent fuel treatment. Since the branched alkyl type N,N-di-alkyl carboxy-amides have the steric hindrance on the complexation with metal cations, branched alkyl type N,N-di-alkyl carboxy-amides can be used to separate An(VI) from An(IV). On the other hand, linear type N,N-di-alkyl carboxy-amides have potential for alternative extractant for tri-butyl phosphate(TBP) because linear type N,N-di-alkyl-amide can extract An(VI) and An(IV). In our previous research work, we have proposed N,N-di-(2- ethyl)hexyl-(2,2-dimethyl)-propanamide (D2EHDMPA) as a candidate extractant for uranium selective separation in FBR spent fuel treatments. However D2EHDMPA was able to separate uranium(VI) from plutonium(IV) and neptunium(VI), D2EHDMPA showed poor U(VI) loading capacity in organic phase. For the purpose of improvement of U(VI) loading capacity in organic phase, nineteenth kinds of New N,N-di-alkyl-amides: N,N-di-hexyl-(3,3-dimethyl)butanamide (DHDMBA), N,N-di-oxyl-(3,3-dimethyl)butanamide (DODMBA), N,N-di-hexyl-(2,2-dimethyl)propanamide (DHDMPA) N,N-di-octyl-(2,2-dimethyl)propanamide (DODMPA), N,N-di-octyl-(2-ethyl)butanamide (DO2EBA), N,N-di-hexyl-(2-ethyl)butanamide (DH2EBA), N-benzyl-N-R 1 -(2-ethyl)hexanamide (R 1 :- C 4 H 9 , -C 6 H 13 , -C 8 H 17 , N-cyclohexyl-N-R 1 -(2- ethyl)hexanamide (R 1 :-C 4 H 9 , -C 6 H 13 , -C 8 H 17 ), N-phenyl- N-R 1 -(2-ethyl)hexanamide (R 1 :-C 3 H 9 , -C 4 H 9 , -C 5 H 11 , - C 6 H 13 , -C 8 H 17 , N-(2-ethyl)hexyl-N-Phenyl-octanamide, N-Benzyl- N-Phenyl-(2-ethyl)hexanamide are synthesized. In this paper, our experimental results of new N,N-dialkyl carboxy-amides extraction property of U(VI)/Pu(IV), extraction of macro amount of U(VI), and gamma-ray radiolysis will be summarized. Solvent extraction of U(VI) and Pu (IV) by nineteenth kinds of new N,N-di-alkyl carboxy-amides, macro amount of U(VI) extraction and radiolysis of four compounds were carried

DH-1a: a certified uranium-thorium reference ore

International Nuclear Information System (INIS)

Steger, H.F.; Bowman, W.S.; Zechanowitsch, G.

1981-09-01

A 122-kg sample of uranium-thorium ore, DH-1a, from Elliot Lake, Ontario, was prepared as a compositional reference material to replace the similar certified ore, DH-1. DH-1a was ground to minus 74μm, blended in one lot, and bottled in 200 g units. The homogeneity of DH-1a with respect to uranium was confirmed using the volumetric umpire method. The recommended value for uranium is based on the data from the confirmation of homogeneity. For thorium, twelve laboratories provided results in a free choice analytical program. A statistical analysis of the data gave a recommended value of 0.263 percent for uranium and 0.091 percent for thorium

Measurement of dihydro testosterone by radioimmunoassay after celite column chromatography

International Nuclear Information System (INIS)

Lando, V.S.

1992-01-01

A method for measuring dihydro testosterone after celite column chromatography is developed. One milliliter of serum containing 1000 cpm of tritiated dihydro testosterone was extracted with hexane: ethyl acetate (2:3): dried, diluted with non saturated iso octane and injected in the column previously washed with 3.5 ml of pure iso octane. The serum was eluted from the column with pure iso octane (3.5 ml) followed by 5% ethyl acetate in iso octane. The quantity of tritiated dihydro testosterone which was recovered ranged from 50% to 80% in all assays. The sensitivity of the method was 4 ng/d l. The intra-assay variation was less than 9% and the inter-assay variation was less than 9,7%. It was measured dihydro testosterone, testosterone and testosterone/dihydro testosterone ratio in the following groups: Group 1- forty-one normal adult subjects in basal conditions, Group 2 - six normal adult subjects, evaluated in basal conditions and after stimulus with 6000 International Unity of human Chorionic Gonadotropin; Group 3- six pre-puberal children with unilateral cryptochidism. Group 4- eight patients with male pseudo hermaphroditism due to 5-alpha-reductase deficiency in basal conditions and after HCG. (author)

D/H ratios of the inner Solar System.

Science.gov (United States)

Hallis, L J

2017-05-28

The original hydrogen isotope (D/H) ratios of different planetary bodies may indicate where each body formed in the Solar System. However, geological and atmospheric processes can alter these ratios through time. Over the past few decades, D/H ratios in meteorites from Vesta and Mars, as well as from S- and C-type asteroids, have been measured. The aim of this article is to bring together all previously published data from these bodies, as well as the Earth, in order to determine the original D/H ratio for each of these inner Solar System planetary bodies. Once all secondary processes have been stripped away, the inner Solar System appears to be relatively homogeneous in terms of water D/H, with the original water D/H ratios of Vesta, Mars, the Earth, and S- and C-type asteroids all falling between δD values of -100‰ and -590‰. This homogeneity is in accord with the 'Grand tack' model of Solar System formation, where giant planet migration causes the S- and C-type asteroids to be mixed within 1 AU to eventually form the terrestrial planets.This article is part of the themed issue 'The origin, history and role of water in the evolution of the inner Solar System'. © 2017 The Authors.

Structures of Highly Twisted Amides Relevant to Amide N-C Cross-Coupling: Evidence for Ground-State Amide Destabilization.

Science.gov (United States)

Pace, Vittorio; Holzer, Wolfgang; Meng, Guangrong; Shi, Shicheng; Lalancette, Roger; Szostak, Roman; Szostak, Michal

2016-10-04

Herein, we show that acyclic amides that have recently enabled a series of elusive transition-metal-catalyzed N-C activation/cross-coupling reactions are highly twisted around the N-C(O) axis by a new destabilization mechanism of the amide bond. A unique effect of the N-glutarimide substituent, leading to uniformly high twist (ca. 90°) irrespective of the steric effect at the carbon side of the amide bond has been found. This represents the first example of a twisted amide that does not bear significant steric hindrance at the α-carbon atom. The (15) N NMR data show linear correlations between electron density at nitrogen and amide bond twist. This study strongly supports the concept of amide bond ground-state twist as a blueprint for activation of amides toward N-C bond cleavage. The new mechanism offers considerable opportunities for organic synthesis and biological processes involving non-planar amide bonds. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

D/H diffusion in serpentine

Science.gov (United States)

Pilorgé, Hélène; Reynard, Bruno; Remusat, Laurent; Le Floch, Sylvie; Montagnac, Gilles; Cardon, Hervé

2017-08-01

Interactions between aqueous fluids and ultrabasic rocks are essential processes in a broad range of contexts including hydrothermal alteration on the parent body of carbonaceous chondrites, at mid-oceanic ridge, and in subduction zones. Tracking these processes and understanding reaction kinetics require knowledge of the diffusion of water in rocks, and of isotope fractionation in major minerals forming under hydrous conditions, such as serpentines. We present a study of D/H inter-diffusion in antigorite, a common variety of serpentine. Experiments were performed in a belt apparatus at 315 °C, 450 °C and 540 °C and at 3.0 GPa on natural antigorite powders saturated with interstitial D2O. An experiment was performed in a diamond anvil cell at 350 °C and 2.5 GPa on an antigorite single-crystal loaded with pure D2O. D/(D + H) ratios were mapped using Raman spectroscopy for the experiments at 315 °C, 450 °C and 540 °C and by NanoSIMS for the experiment at 350 °C. As antigorite is a phyllosilicate, diffusion coefficients were obtained for crystallographic directions parallel and perpendicular to the silicate layers (perpendicular and parallel to the c∗-axis, respectively). Arrhenius relations for D/H inter-diffusion coefficients were determined to be DD/H (m2/s) = 4.71 × 10-2 × exp(-207(-33/+58) (kJ/mol)/RT) and DD/H (m2/s) = 1.61 × 10-4 × exp(-192(-34/+93) (kJ/mol)/RT) perpendicular and parallel to the c∗-axis, respectively, and DD/H (m2/s) = 7.09 × 10-3 × exp(-202(-33/+70) (kJ/mol)/RT) for the bulk diffusivity. Assuming D/H inter-diffusion coefficients for antigorite are the same for all serpentine species, closure temperature and diffusion durations are applied to hydrothermal alteration in the oceanic lithosphere, and in CI, CM and CR chondrites. Closure temperatures lie below 300 °C for terrestrial hydrothermal alteration and depend on serpentine variety because they have different typical grain sizes. Closure temperatures lie below 160 °C for

New measurements of D/H on Mars using EXES aboard SOFIA

Science.gov (United States)

Encrenaz, T.; DeWitt, C.; Richter, M. J.; Greathouse, T. K.; Fouchet, T.; Montmessin, F.; Lefèvre, F.; Bézard, B.; Atreya, S. K.; Aoki, S.; Sagawa, H.

2018-05-01

The global D/H ratio on Mars is an important measurement for understanding the past history of water on Mars; locally, through condensation and sublimation processes, it is a possible tracer of the sources and sinks of water vapor on Mars. Measuring D/H as a function of longitude, latitude and season is necessary for determining the present averaged value of D/H on Mars. Following an earlier measurement in April 2014, we used the Echelon Cross Echelle Spectrograph (EXES) instrument on board the Stratospheric Observatory for Infrared Astronomy (SOFIA) facility to map D/H on Mars on two occasions, on March 24, 2016 (Ls = 127°), and January 24, 2017 (Ls = 304°), by measuring simultaneously the abundances of H2O and HDO in the 1383-1391 cm-1 range (7.2 μm). The D/H disk-integrated values are 4.0 (+0.8, -0.6) × Vienna Standard Mean Ocean Water (VSMOW) and 4.5 (+0.7, -0.6) × VSMOW, respectively, in agreement with our earlier result. The main result of this study is that there is no evidence of strong local variations in the D/H ratio nor for seasonal variations in the global D/H ratio between northern summer and southern summer.

A behavior-oriented dynamic model for sandbar migration and 2DH evolution

Science.gov (United States)

Splinter, K.D.; Holman, R.A.; Plant, N.G.

2011-01-01

A nonlinear model is developed to study the time-dependent relationship between the alongshore variability of a sandbar, a(t), and alongshore-averaged sandbar position, xc(t). Sediment transport equations are derived from energetics-based formulations. A link between this continuous physical representation and a parametric form describing the migration of sandbars of constant shape is established through a simple transformation of variables. The model is driven by offshore wave conditions. The parametric equations are dynamically coupled such that changes in one term (i.e., xc) drive changes in the other (i.e., a(t)). The model is tested on 566 days of data from Palm Beach, New South Wales, Australia. Using weighted nonlinear least squares to estimate best fit model coefficients, the model explained 49% and 41% of the variance in measured xc and a(t), respectively. Comparisons against a 1-D horizontal (1DH) version of the model showed significant improvements when the 2DH terms were included (1DH and 2DH Brier skill scores were -0.12 and 0.42, respectively). Onshore bar migration was not predicted in the 1DH model, while the 2DH model correctly predicted onshore migration in the presence of 2DH morphology and allowed the bar to remain closer to shore for a given amount of breaking, providing an important hysteresis to the system. The model is consistent with observations that active bar migration occurs under breaking waves with onshore migration occurring at timescales of days to weeks and increasing 2DH morphology, while offshore migration occurs rapidly under high waves and coincides with a reduction in 2DH morphology. Copyright ?? 2011 by the American Geophysical Union.

VLBI OBSERVATIONS OF THE NEARBY TYPE IIb SUPERNOVA 2011dh

International Nuclear Information System (INIS)

Bietenholz, M. F.; Brunthaler, A.; Soderberg, A. M.; Zauderer, B.; Krauss, M.; Chomiuk, L.; Rupen, M. P.; Bartel, N.

2012-01-01

We report on phase-referenced very long baseline interferometry radio observations of the Type IIb supernova 2011dh, at times t = 83 days and 179 days after the explosion and at frequencies, respectively, of 22.2 and 8.4 GHz. We detected SN 2011dh at both epochs. At the first epoch only an upper limit on SN 2011dh's angular size was obtained, but at the second epoch, we determine the angular radius of SN 2011dh's radio emission to be 0.25 ± 0.08 mas by fitting a spherical shell model directly to the visibility measurements. At a distance of 8.4 Mpc, this angular radius corresponds to a time-averaged (since t = 0) expansion velocity of the forward shock of 21, 000 ± 7000 km s –1 . Our measured values of the radius of the emission region are in excellent agreement with those derived from fitting synchrotron self-absorbed models to the radio spectral energy distribution, providing strong confirmation for the latter method of estimating the radius. We find that SN 2011dh's radius evolves in a power-law fashion, with R∝t 0.92±0.10 .

2,2,2-Trifluoroethyl methacrylate-graft-natural rubber: Synthesis and application as compatibilizer in natural rubber/fluoroelastomer blends

Energy Technology Data Exchange (ETDEWEB)

Hinchiranan, N., E-mail: nhn78@hotmail.com [Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Wannako, P. [Program in Petrochemistry and Polymer Science, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Paosawatyanyong, B. [Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Prasassarakich, P. [Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand)

2013-05-15

The incompatibility and immiscibility of natural rubber (NR)/fluoroelastomers (FKM) blends were improved by incorporation of a graft copolymer synthesized from the free radical graft copolymerization of 2,2,2-trifluoroethyl methacrylate (TFEM) onto NR initiated by benzoyl peroxide via a melt-mixing process. The grafting properties were investigated as functions of the initiator and monomer concentrations, reaction temperature and time. At the optimal conditions, the obtained graft NR (GNR) purified by Soxhlet extraction contained a maximum grafting efficiency of 1.34% with 49.1% monomer conversion. The structure of the purified GNR was analyzed using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) and nuclear magnetic resonance spectroscopy ({sup 1}H NMR and {sup 19}F NMR). The gross GNR was then applied as the compatibilizer for NR/FKM vulcanizates (20/80 (w/w)) cured by peroxide vulcanization. The addition of GNR at 15 parts per hundred of rubber (phr) gave a vulcanizate with the highest tensile strength (9.93 MPa), some 5.31-fold higher than that of the incompatibilized one (1.87 MPa). This is likely to be due to the higher degree of homogeneity of the constituent phases in the GNR-compatibilized blends, as observed by scanning electron microscopy (SEM). The GNR-compatibilized NR/FKM vulcanizates were also resistant to gasohol E85 (85% (w/w) of ethanol). Highlights: ► 2,2,2-Trifluoroethyl methacrylate could be grafted on NR via melt-mixing process. ► Effect of grafting parameters on grafting efficiency and gel content was observed. ► NR/FKM containing graft NR had higher tensile strength than uncompatibilized ones. ► The compatibilized NR/FKM vulcanizates had higher gasohol-swelling resistance.

Sequential backbone assignment based on dipolar amide-to-amide correlation experiments

Energy Technology Data Exchange (ETDEWEB)

Xiang, ShengQi; Grohe, Kristof; Rovó, Petra; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus, E-mail: rali@nmr.mpibpc.mpg.de [Max Planck Institute for Biophysical Chemistry, Department for NMR-Based Structural Biology (Germany)

2015-07-15

Proton detection in solid-state NMR has seen a tremendous increase in popularity in the last years. New experimental techniques allow to exploit protons as an additional source of information on structure, dynamics, and protein interactions with their surroundings. In addition, sensitivity is mostly improved and ambiguity in assignment experiments reduced. We show here that, in the solid state, sequential amide-to-amide correlations turn out to be an excellent, complementary way to exploit amide shifts for unambiguous backbone assignment. For a general assessment, we compare amide-to-amide experiments with the more common {sup 13}C-shift-based methods. Exploiting efficient CP magnetization transfers rather than less efficient INEPT periods, our results suggest that the approach is very feasible for solid-state NMR.

Sequential backbone assignment based on dipolar amide-to-amide correlation experiments

International Nuclear Information System (INIS)

Xiang, ShengQi; Grohe, Kristof; Rovó, Petra; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus

2015-01-01

Proton detection in solid-state NMR has seen a tremendous increase in popularity in the last years. New experimental techniques allow to exploit protons as an additional source of information on structure, dynamics, and protein interactions with their surroundings. In addition, sensitivity is mostly improved and ambiguity in assignment experiments reduced. We show here that, in the solid state, sequential amide-to-amide correlations turn out to be an excellent, complementary way to exploit amide shifts for unambiguous backbone assignment. For a general assessment, we compare amide-to-amide experiments with the more common 13 C-shift-based methods. Exploiting efficient CP magnetization transfers rather than less efficient INEPT periods, our results suggest that the approach is very feasible for solid-state NMR

Crossed molecular beams study of the reaction D+H2→DH+H at collision energies of 0.53 and 1.01 eV

International Nuclear Information System (INIS)

Continetti, R.E.; Balko, B.A.; Lee, Y.T.

1990-01-01

This paper reports the first product differential cross section (DCS) measurements for the D+H 2 →DH+H reaction as a function of laboratory (LAB) scattering angle with sufficient resolution to resolve product DH vibrational states. Using a D-atom beam produced by the photodissociation of DI at 248 nm, product velocity and angular distributions were measured at 12 LAB angles at a nominal collision energy of 0.53 eV and at 22 LAB angles at a nominal collision energy of 1.01 eV with a crossed molecular beams apparatus. After correction of the raw product time-of-flight (TOF) spectra for modulated background, a comparison with recent exact quantum mechanical scattering calculations was made using a Monte Carlo simulation of the experimental conditions. The simulation showed that although the theoretical predictions agree qualitatively with the measurements, some significant discrepancies exist. Using the Monte Carlo simulation, a best-fit set of DH(v,j) DCS's which showed good agreement with the measurements was found. At the detailed level of the state-to-state DCS, significant differences were observed between theory and experiment for rotationally excited DH(v, j) products. The discrepancies observed suggest that some regions of the current ab initio H 3 potential energy surfaces, particularly the bending potential at high energies, may need further examination

The labelling of 2-oxoquazepam with electrophilic 18F

International Nuclear Information System (INIS)

Duelfer, T.; Johnstroem, P.; Stone-Elander, S.

1991-01-01

2-Oxoquazepam, 7-chloro-1-(2,2,2-trifluoroethyl)-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzo-diazepine-2-one, is a benzodiazepine agonist. It has been shown to bind in vitro with a higher affinity to benzodiazepine type 1 receptors than to type 2 receptors. Here we report the synthesis of a trimethylin precursor and demonstrate the feasibility of using it for radiolabelling acid- and base-sensitive benzodiazepine structures such as 2-oxoquazepam. Conversions of the electrophilic fluorine to [ 18 F]-2-oxoquazepam on the order 20-25% were obtained. (author)

2-(2,3-Dihydro-1H-indol-3-yl)ethanol

DEFF Research Database (Denmark)

Frydenvang, Karla Andrea; Sommer, Michael Bech; Heckmann, Dieter

2004-01-01

The first direct resolution of racemic 2-(2,3-dihydro-lH-indol-3-yl)ethanol-prepared by catalytic hydrogenation of 2-(lH-indol-3-yl)ethanol-has been accomplished by chiral simulated moving bed (SMB) chromatography. The single enantiomers were isolated as their dihydrogen phosphate salts. Single......-crystal X-ray analyses were successful, revealing that the (+)-enantiomer of 2-(2,3-dihydro-lH-indol-3-yl)ethanol has the (S) configuration. Chirality 16:126-130, 2004....

Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds.

Science.gov (United States)

Hie, Liana; Fine Nathel, Noah F; Shah, Tejas K; Baker, Emma L; Hong, Xin; Yang, Yun-Fang; Liu, Peng; Houk, K N; Garg, Neil K

2015-08-06

Amides are common functional groups that have been studied for more than a century. They are the key building blocks of proteins and are present in a broad range of other natural and synthetic compounds. Amides are known to be poor electrophiles, which is typically attributed to the resonance stability of the amide bond. Although amides can readily be cleaved by enzymes such as proteases, it is difficult to selectively break the carbon-nitrogen bond of an amide using synthetic chemistry. Here we demonstrate that amide carbon-nitrogen bonds can be activated and cleaved using nickel catalysts. We use this methodology to convert amides to esters, which is a challenging and underdeveloped transformation. The reaction methodology proceeds under exceptionally mild reaction conditions, and avoids the use of a large excess of an alcohol nucleophile. Density functional theory calculations provide insight into the thermodynamics and catalytic cycle of the amide-to-ester transformation. Our results provide a way to harness amide functional groups as synthetic building blocks and are expected to lead to the further use of amides in the construction of carbon-heteroatom or carbon-carbon bonds using non-precious-metal catalysis.

X-ray structure, semi-empirical MO calculations and π-electron delocalization of 1-cyanoacetyl-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1 H-pyrazoles

Science.gov (United States)

Martins, Marcos A. P.; Moreira, Dayse N.; Frizzo, Clarissa P.; Campos, Patrick T.; Longhi, Kelvis; Marzari, Mara R. B.; Zanatta, Nilo; Bonacorso, Helio G.

2010-04-01

The structure of three 1-cyanoacetyl-3-alkyl[aryl]-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1 H-pyrazoles ( 1- 3) has been determined by X-ray diffractometry. The 4,5-dihydro-1 H-pyrazole rings were obtained as almost planar structures showing RMS deviation at a range of 0.0196-0.0736 Å. The data demonstrate that the molecular packing is dependent on the substituent present in each molecule. In addition, a computational investigation using semi-empirical AM1 and RM1 methods was performed in order to investigate the correlation between experimental and calculated geometrical parameters. The data obtained suggest that the structural data furnished by the AM1 method is in better agreement with those experimentally determined for the above compounds. An analysis of the π-electron delocalization by HOMA calculations indicate that there is a hyperconjugation effect in the imine group toward to phenyl group at ring 3-position of compound 2, and that this resonance effect decrease in compounds 1 and 3. In addition, it was showed that bond N(1) and C(6) do not have an amide character. Thus, the O(6)-C(6)-N(1)-N(2)-C(3) fragment is not completely delocalized mainly due to the low π-electron delocalization in N(1)-N(2) bond for all compounds.

Feature issue of digital holography and 3D imaging (DH) introduction.

Science.gov (United States)

Hayasaki, Yoshio; Zhou, Changhe; Popescu, Gabriel; Onural, Levent

2014-11-17

The OSA Topical Meeting "Digital Holography and 3D Imaging (DH)," was held in Seattle, Washington, July 13-17, 2014. Feature issues based on the DH meeting series have been released by Applied Optics (AO) since 2007. This year Optics Express (OE) and AO jointly decided to have one such feature issue in each journal. The DH meeting will continue in the future, as expected, and the next meeting is scheduled to be held on 24 - 28 May 2015, in Shanghai Institute of Optics and Fine Mechanics, Shanghai, China.

Microorganisms hydrolyse amide bonds; knowledge enabling read-across of biodegradability of fatty acid amides.

Science.gov (United States)

Geerts, Roy; Kuijer, Patrick; van Ginkel, Cornelis G; Plugge, Caroline M

2014-07-01

To get insight in the biodegradation and potential read-across of fatty acid amides, N-[3-(dimethylamino)propyl] cocoamide and N-(1-ethylpiperazine) tall oil amide were used as model compounds. Two bacteria, Pseudomonas aeruginosa PK1 and Pseudomonas putida PK2 were isolated with N-[3-(dimethylamino)propyl] cocoamide and its hydrolysis product N,N-dimethyl-1,3-propanediamine, respectively. In mixed culture, both strains accomplished complete mineralization of N-[3-(dimethylamino)propyl] cocoamide. Aeromonas hydrophila PK3 was enriched with N-(1-ethylpiperazine) tall oil amide and subsequently isolated using agar plates containing dodecanoate. N-(2-Aminoethyl)piperazine, the hydrolysis product of N-(1-ethylpiperazine) tall oil amide, was not degraded. The aerobic biodegradation pathway for primary and secondary fatty acid amides of P. aeruginosa and A. hydrophila involved initial hydrolysis of the amide bond producing ammonium, or amines, where the fatty acids formed were immediately metabolized. Complete mineralization of secondary fatty acid amides depended on the biodegradability of the released amine. Tertiary fatty acid amides were not transformed by P. aeruginosa or A. hydrophila. These strains were able to utilize all tested primary and secondary fatty acid amides independent of the amine structure and fatty acid. Read-across of previous reported ready biodegradability results of primary and secondary fatty acid amides is justified based on the broad substrate specificity and the initial hydrolytic attack of the two isolates PK1 and PK3.

Integration of Decentralized Thermal Storages Within District Heating (DH Networks

Directory of Open Access Journals (Sweden)

Schuchardt Georg K.

2016-12-01

Full Text Available Thermal Storages and Thermal Accumulators are an important component within District Heating (DH systems, adding flexibility and offering additional business opportunities for these systems. Furthermore, these components have a major impact on the energy and exergy efficiency as well as the heat losses of the heat distribution system. Especially the integration of Thermal Storages within ill-conditioned parts of the overall DH system enhances the efficiency of the heat distribution. Regarding an illustrative and simplified example for a DH system, the interactions of different heat storage concepts (centralized and decentralized and the heat losses, energy and exergy efficiencies will be examined by considering the thermal state of the heat distribution network.

Dissecting Hofmeister Effects: Direct Anion-Amide Interactions Are Weaker than Cation-Amide Binding.

Science.gov (United States)

Balos, Vasileios; Kim, Heejae; Bonn, Mischa; Hunger, Johannes

2016-07-04

Whereas there is increasing evidence for ion-induced protein destabilization through direct ion-protein interactions, the strength of the binding of anions to proteins relative to cation-protein binding has remained elusive. In this work, the rotational mobility of a model amide in aqueous solution was used as a reporter for the interactions of different anions with the amide group. Protein-stabilizing salts such as KCl and KNO3 do not affect the rotational mobility of the amide. Conversely, protein denaturants such as KSCN and KI markedly reduce the orientational freedom of the amide group. Thus these results provide evidence for a direct denaturation mechanism through ion-protein interactions. Comparing the present findings with results for cations shows that in contrast to common belief, anion-amide binding is weaker than cation-amide binding. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally Inverted Acyclic Amides.

Science.gov (United States)

Meng, Guangrong; Shi, Shicheng; Lalancette, Roger; Szostak, Roman; Szostak, Michal

2018-01-17

Since the seminal studies by Pauling in 1930s, planarity has become the defining characteristic of the amide bond. Planarity of amides has central implications for the reactivity and chemical properties of amides of relevance to a range of chemical disciplines. While the vast majority of amides are planar, nonplanarity has a profound effect on the properties of the amide bond, with the most common method to restrict the amide bond relying on the incorporation of the amide function into a rigid cyclic ring system. In a major departure from this concept, here, we report the first class of acyclic twisted amides that can be prepared, reversibly, from common primary amides in a single, operationally trivial step. Di-tert-butoxycarbonylation of the amide nitrogen atom yields twisted amides in which the amide bond exhibits nearly perpendicular twist. Full structural characterization of a range of electronically diverse compounds from this new class of twisted amides is reported. Through reactivity studies we demonstrate unusual properties of the amide bond, wherein selective cleavage of the amide bond can be achieved by a judicious choice of the reaction conditions. Through computational studies we evaluate structural and energetic details pertaining to the amide bond deformation. The ability to selectively twist common primary amides, in a reversible manner, has important implications for the design and application of the amide bond nonplanarity in structural chemistry, biochemistry and organic synthesis.

Enantioselective synthesis of α-oxy amides via Umpolung amide synthesis.

Science.gov (United States)

Leighty, Matthew W; Shen, Bo; Johnston, Jeffrey N

2012-09-19

α-Oxy amides are prepared through enantioselective synthesis using a sequence beginning with a Henry addition of bromonitromethane to aldehydes and finishing with Umpolung Amide Synthesis (UmAS). Key to high enantioselection is the finding that ortho-iodo benzoic acid salts of the chiral copper(II) bis(oxazoline) catalyst deliver both diastereomers of the Henry adduct with high enantiomeric excess, homochiral at the oxygen-bearing carbon. Overall, this approach to α-oxy amides provides an innovative complement to alternatives that focus almost entirely on the enantioselective synthesis of α-oxy carboxylic acids.

Chemoselective reductive nucleophilic addition to tertiary amides, secondary amides, and N-methoxyamides.

Science.gov (United States)

Nakajima, Minami; Oda, Yukiko; Wada, Takamasa; Minamikawa, Ryo; Shirokane, Kenji; Sato, Takaaki; Chida, Noritaka

2014-12-22

As the complexity of targeted molecules increases in modern organic synthesis, chemoselectivity is recognized as an important factor in the development of new methodologies. Chemoselective nucleophilic addition to amide carbonyl centers is a challenge because classical methods require harsh reaction conditions to overcome the poor electrophilicity of the amide carbonyl group. We have successfully developed a reductive nucleophilic addition of mild nucleophiles to tertiary amides, secondary amides, and N-methoxyamides that uses the Schwartz reagent [Cp2 ZrHCl]. The reaction took place in a highly chemoselective fashion in the presence of a variety of sensitive functional groups, such as methyl esters, which conventionally require protection prior to nucleophilic addition. The reaction will be applicable to the concise synthesis of complex natural alkaloids from readily available amide groups. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil

International Nuclear Information System (INIS)

Amaral, Luísa M.P.F.; Szterner, Piotr; Ribeiro da Silva, Manuel A.V.

2013-01-01

Highlights: • Δ c H m ° of two methyl-5,6-dihydrouracils have been determined by combustion calorimetry. • Vapor pressures were measured by the Knudsen effusion technique. • Gas phase enthalpies of formation of methyl-5,6-dihydrouracils, have been derived. -- Abstract: The standard (p° = 0.1 MPa) molar enthalpy of combustion, Δ c H m ° , of two crystalline compounds, 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil, were determined, at T = 298.15 K, using a static bomb combustion calorimeter. The vapor pressures as a function of the temperature were measured for those compounds, by the Knudsen effusion technique, and the standard molar enthalpies of sublimation at the mean temperature of the vapor pressure measurements were derived from the Clausius–Clapeyron equation, and corrected to T = 298.15 K using an estimated value for Δ cr g C p,m ° . These values were used to derive the standard molar enthalpies of formation of the two compounds studied, in the condensed and gaseous phases. Some considerations about the relative stability of the two isomers were made and compared with similar compounds

Amide-induced phase separation of hexafluoroisopropanol-water mixtures depending on the hydrophobicity of amides.

Science.gov (United States)

Takamuku, Toshiyuki; Wada, Hiroshi; Kawatoko, Chiemi; Shimomura, Takuya; Kanzaki, Ryo; Takeuchi, Munetaka

2012-06-21

Amide-induced phase separation of hexafluoro-2-propanol (HFIP)-water mixtures has been investigated to elucidate solvation properties of the mixtures by means of small-angle neutron scattering (SANS), (1)H and (13)C NMR, and molecular dynamics (MD) simulation. The amides included N-methylformamide (NMF), N-methylacetamide (NMA), and N-methylpropionamide (NMP). The phase diagrams of amide-HFIP-water ternary systems at 298 K showed that phase separation occurs in a closed-loop area of compositions as well as an N,N-dimethylformamide (DMF) system previously reported. The phase separation area becomes wider as the hydrophobicity of amides increases in the order of NMF amides due to the hydrophobic interaction gives rise to phase separation of the mixtures. In contrast, the disruption of HFIP clusters causes the recovery of the homogeneity of the ternary systems. The present results showed that HFIP clusters are evolved with increasing amide content to the lower phase separation concentration in the same mechanism among the four amide systems. However, the disruption of HFIP clusters in the NMP and DMF systems with further increasing amide content to the upper phase separation concentration occurs in a different way from those in the NMF and NMA systems.

40 CFR 721.9662 - Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro... Specific Chemical Substances § 721.9662 Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro- (9CI). (a) Chemical...-b]-1,4-dioxin, 2,3-dihydro- (9CI) (PMN P-95-1825; CAS No. 126213-50-1) is subject to reporting under...

Conversion of Amides to Esters by the Nickel-Catalyzed Activation of Amide C–N Bonds

Science.gov (United States)

Hie, Liana; Fine Nathel, Noah F.; Shah, Tejas K.; Baker, Emma L.; Hong, Xin; Yang, Yun-Fang; Liu, Peng; Houk, K. N.; Garg, Neil K.

2015-01-01

Amides are common functional groups that have been well studied for more than a century.1 They serve as the key building blocks of proteins and are present in an broad range of other natural and synthetic compounds. Amides are known to be poor electrophiles, which is typically attributed to resonance stability of the amide bond.1,2 Whereas Nature can easily cleave amides through the action of enzymes, such as proteases,3 the ability to selectively break the C–N bond of an amide using synthetic chemistry is quite difficult. In this manuscript, we demonstrate that amide C–N bonds can be activated and cleaved using nickel catalysts. We have used this methodology to convert amides to esters, which is a challenging and underdeveloped transformation. The reaction methodology proceeds under exceptionally mild reaction conditions, and avoids the use of a large excess of an alcohol nucleophile. Density functional theory (DFT) calculations provide insight into the thermodynamics and catalytic cycle of this unusual transformation. Our results provide a new strategy to harness amide functional groups as synthons and are expected fuel the further use of amides for the construction of carbon–heteroatom or carbon–carbon bonds using non-precious metal catalysis. PMID:26200342

Amides in Nature and Biocatalysis.

Science.gov (United States)

Pitzer, Julia; Steiner, Kerstin

2016-10-10

Amides are widespread in biologically active compounds with a broad range of applications in biotechnology, agriculture and medicine. Therefore, as alternative to chemical synthesis the biocatalytic amide synthesis is a very interesting field of research. As usual, Nature can serve as guide in the quest for novel biocatalysts. Several mechanisms for carboxylate activation involving mainly acyl-adenylate, acyl-phosphate or acyl-enzyme intermediates have been discovered, but also completely different pathways to amides are found. In addition to ribosomes, selected enzymes of almost all main enzyme classes are able to synthesize amides. In this review we give an overview about amide synthesis in Nature, as well as biotechnological applications of these enzymes. Moreover, several examples of biocatalytic amide synthesis are given. Copyright © 2016 Elsevier B.V. All rights reserved.

N-Methylamino Pyrimidyl Amides (MAPA): Highly Reactive, Electronically-Activated Amides in Catalytic N-C(O) Cleavage.

Science.gov (United States)

Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal

2017-09-01

Despite recent progress in catalytic cross-coupling technologies, the direct activation of N-alkyl-N-aryl amides has been a challenging transformation. Here, we report the first Suzuki cross-coupling of N-methylamino pyrimidyl amides (MAPA) enabled by the controlled n N → π Ar conjugation and the resulting remodeling of the partial double bond character of the amide bond. The new mode of amide activation is suitable for generating acyl-metal intermediates from unactivated primary and secondary amides.

20 CFR 404.280 - Recomputations.

Science.gov (United States)

2010-04-01

...- ) Computing Primary Insurance Amounts Recomputing Your Primary Insurance Amount § 404.280 Recomputations. At...) Methods of recomputing (§§ 404.283 and 404.284), (d) Automatic recomputations (§ 404.285), (e) Requesting...

Dihydro-β-agarofuran sesquiterpene pyridine alkaloids from the seeds of Euonymus hamiltonianus

Directory of Open Access Journals (Sweden)

Mudasir A. Tantry

2016-09-01

Full Text Available Plants of the Celastraceae family produce various dihydro-β-agarofuran sesquiterpene pyridine alkaloids. Two dihydro-β-agarofuran sesquitepene pyridine alkaloids (1,2 apart from four known compounds euojaponin C (3, wilforine (4, austronine (5 and O9-benzoyl-O9-deacetylevonine (6, were isolated from the ripe seeds of Euonymus hamiltonianus. Their chemical structures were elucidated mainly by analysis of NMR and MS spectral data. All compounds were evaluated for insecticidal activity.

20 CFR 404.1003 - Employment.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Employment. 404.1003 Section 404.1003...- ) Employment, Wages, Self-Employment, and Self-Employment Income Employment § 404.1003 Employment. Employment....1010. Section 404.1004 states the general rule on the kinds of work covered as employment. Exceptions...

Poly(ether amide) segmented block copolymers with adipicacid based tetra amide segments

NARCIS (Netherlands)

Biemond, G.J.E.; Feijen, Jan; Gaymans, R.J.

2007-01-01

Poly(tetramethylene oxide)-based poly(ether ester amide)s with monodisperse tetraamide segments were synthesized. The tetraamide segment was based on adipic acid, terephthalic acid, and hexamethylenediamine. The synthesis method of the copolymers and the influence of the tetraamide concentration,

D/H variations of granitoids and of their OH--bearing minerals

International Nuclear Information System (INIS)

Boettger, T.; Stiehl, G.; Wand, U.

1987-01-01

Granitic rocks from the Thueringer Hauptgranit Massif (THM) and the western Lausitzer Granodiorit Massif (GDR) have been analyzed for their hydrogen isotope composition (D/H) and water content. Some whole-rock samples especially from the THM as well as the OH - bearing minerals (mica, hornblende) separated from them yielded extremely high D/H ratios. An attempt is made to explain this anomalous deuterium enrichment. (author)

Twisted Amides: From Obscurity to Broadly Useful Transition-Metal-Catalyzed Reactions by N-C Amide Bond Activation.

Science.gov (United States)

Liu, Chengwei; Szostak, Michal

2017-05-29

The concept of using amide bond distortion to modulate amidic resonance has been known for more than 75 years. Two classic twisted amides (bridged lactams) ingeniously designed and synthesized by Kirby and Stoltz to feature fully perpendicular amide bonds, and as a consequence emanate amino-ketone-like reactivity, are now routinely recognized in all organic chemistry textbooks. However, only recently the use of amide bond twist (distortion) has advanced to the general organic chemistry mainstream enabling a host of highly attractive N-C amide bond cross-coupling reactions of broad synthetic relevance. In this Minireview, we discuss recent progress in this area and present a detailed overview of the prominent role of amide bond destabilization as a driving force in the development of transition-metal-catalyzed cross-coupling reactions by N-C bond activation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

D/H in Water Evolved from Martian Rocks in Gale Crater

Science.gov (United States)

Mahaffy, P. R.; Franz, H. B.; Atreya, S. K.; Webster, C. R.

2017-12-01

The Sample Analysis at Mars (SAM) instrument suite with its Quadrupole Mass Spectrometer (QMS) and Tunable Laser Spectrometer (TSL) measures isotopes such as δ34S in SO2 [1], δ37Cl in HCl [2], δ15N in N2 or NO [3], δ13C in CH4 [4], δ13C and δ18O in CO2 [5-6], δD in H2O [7], and a variety of noble gas isotopes [8-9]. Fractionation of isotopes of H, C, O, N, Ar, and Xe indicates a substantial loss of atmosphere to space. For xenon this may have occurred early in the history of Mars by hydrodynamic escape [10] or spread over time for C, O, N, and Ar [11]. Nevertheless, the detailed history of atmospheric loss and the predictions of the climate when the Gale crater was a lake are still not well constrained. Isotopes from light elements that are presently measured in the atmosphere but that were also locked into minerals in rocks more than 3 billion years ago are of particular interest as they may provide additional constraints on the history of atmospheric loss. These include 15N/14N presently measured in atmospheric N2 [3] but also in nitrogen released from ancient nitrates as NO [12] and D/H in atmospheric water [13] and in water or hydroxyl locked into minerals and released in the SAM evolved gas analysis (EGA) experiments [7]. D/H in water can be measured by both the TSL and the QMS. Typically the D/H decreases over the course of the EGA temperature ramp, since gas that has exchanged with the current atmosphere is released at lower temperatures. Less easily exchanged gas reflecting the D/H ratio in the water of formation of a mineral, such as that from the dehydroxylation of a phylosillicate, is released at higher temperatures. We will examine some of the D/H measurements made on drilled and powdered rocks and the trends in the variation of the D/H ratio with release temperature. We will compare these ratios with the D/H in atmospheric water and discuss possible consequences for loss of D/H over time. References: [1] Franz et al., in press. [2] Farley et al

Amide-N-oxide heterosynthon and amide dimer homosynthon in cocrystals of carboxamide drugs and pyridine N-oxides.

Science.gov (United States)

Babu, N Jagadeesh; Reddy, L Sreenivas; Nangia, Ashwini

2007-01-01

The carboxamide-pyridine N-oxide heterosynthon is sustained by syn(amide)N-H...O-(oxide) hydrogen bond and auxiliary (N-oxide)C-H...O(amide) interaction (Reddy, L. S.; Babu, N. J.; Nangia, A. Chem. Commun. 2006, 1369). We evaluate the scope and utility of this heterosynthon in amide-containing molecules and drugs (active pharmaceutical ingredients, APIs) with pyridine N-oxide cocrystal former molecules (CCFs). Out of 10 cocrystals in this study and 7 complexes from previous work, amide-N-oxide heterosynthon is present in 12 structures and amide dimer homosynthon occurs in 5 structures. The amide dimer is favored over amide-N-oxide synthon in cocrystals when there is competition from another H-bonding functional group, e.g., 4-hydroxybenzamide, or because of steric factors, as in carbamazepine API. The molecular organization in carbamazepine.quinoxaline N,N'-dioxide 1:1 cocrystal structure is directed by amide homodimer and anti(amide)N-H...O-(oxide) hydrogen bond. Its X-ray crystal structure matches with the third lowest energy frame calculated in Polymorph Predictor (Cerius(2), COMPASS force field). Apart from generating new and diverse supramolecular structures, hydration is controlled in one substance. 4-Picoline N-oxide deliquesces within a day, but its cocrystal with barbital does not absorb moisture at 50% RH and 30 degrees C up to four weeks. Amide-N-oxide heterosynthon has potential utility in both amide and N-oxide type drug molecules with complementary CCFs. Its occurrence probability in the Cambridge Structural Database is 87% among 27 structures without competing acceptors and 78% in 41 structures containing OH, NH, H(2)O functional groups.

D/H Ratios in Lipids as a Tool to Elucidate Microbial Metabolism

Science.gov (United States)

Wijker, Reto S.; Sessions, Alex L.

2016-04-01

Large D/H fractionations have been observed in the lipids and growth water of most organisms studied today. These fractionations have generally been assumed to be constant across most biota because they originate solely from isotope effects imposed by the highly conserved lipid biosynthetic pathway. Recent data is illustrating this conclusion as incomplete. Lipids from field and laboratory samples exhibit huge variations in D/H fractionation. In environmental samples, lipids vary in δD by up to 300 ‰ and in laboratory cultures the documented variation is up to 500 ‰ within the same organism. Remarkably, the isotope fractionation appears to be correlated with the type of metabolism employed by the host organism. However, the underlying biochemical mechanisms leading to these isotopic variations are not yet fully understood. Because the largest proportion of H-bound C in fatty acids is derived directly from NADPH during biosynthesis, the original hypothesis was that large differences in the isotopic composition of NADPH, generated by different central metabolic pathways, were the primary source of D/H variation in lipids. However, recent observations indicate that this cannot be the whole story and lead us to the conclusion that additional processes must affect the isotope composition of NADPH. These processes may include the isotopic exchange of NADPH with water as well as fractionation of NADPH by transhydrogenases, interconverting NADH to NADPH by exhibiting large isotope effects. In this project, our objective is to ascertain whether D/H fractionation and these biochemical processes are correlated. We investigate correlations between cellular NADPH/NADP+ as well as NADH/NAD+ pool sizes and the D/H fractionation in a set of different microorganisms and will present the trends here. Our results will contribute to a more comprehensive understanding of the basic biological regulations over D/H fractionation and potentially enables their use as tracers and

Mass Spectra Analyses of Amides and Amide Dimers of Steviol, Isosteviol, and Steviolbioside

Directory of Open Access Journals (Sweden)

Lin-Wen Lee

2012-01-01

Full Text Available The mass spectra of a series of stevioside analogues including the amide and dimer compounds of steviol, isosteviol, and steviolbioside were examined. Positive ion mass spectral fragmentation of new steviol, isosteviol, and steviolbioside amides and the amide dimers are reported and discussed. The techniques included their synthesis procedures, fast-atom bombardment (FAB, and LC/MS/MS mass spectra. Intense [M+H]+ and [M+Na]+ ion peaks were observed on the FAB and ESI spectra. LC/MS/MS also yielded ES+ and ES− ion peaks that fairly agreed with the results of the FAB and ESI studies. Mass spectral analysis of compounds 4p-q, 5a-g, 6, and 7 revealed the different cleavage pathway patterns that can help in identifying the structures of steviolbioside and its amide derivatives.

New Umami Amides: Structure-Taste Relationship Studies of Cinnamic Acid Derived Amides and the Natural Occurrence of an Intense Umami Amide in Zanthoxylum piperitum.

Science.gov (United States)

Frerot, Eric; Neirynck, Nathalie; Cayeux, Isabelle; Yuan, Yoyo Hui-Juan; Yuan, Yong-Ming

2015-08-19

A series of aromatic amides were synthesized from various acids and amines selected from naturally occurring structural frameworks. These synthetic amides were evaluated for umami taste in comparison with monosodium glutamate. The effect of the substitution pattern of both the acid and the amine parts on umami taste was investigated. The only intensely umami-tasting amides were those made from 3,4-dimethoxycinnamic acid. The amine part was more tolerant to structural changes. Amides bearing an alkyl- or alkoxy-substituted phenylethylamine residue displayed a clean umami taste as 20 ppm solutions in water. Ultraperformance liquid chromatography coupled with a high quadrupole-Orbitrap mass spectrometer (UPLC/MS) was subsequently used to show the natural occurrence of these amides. (E)-3-(3,4-Dimethoxyphenyl)-N-(4-methoxyphenethyl)acrylamide was shown to occur in the roots and stems of Zanthoxylum piperitum, a plant of the family Rutaceae growing in Korea, Japan, and China.

40 CFR 721.9079 - Dihydro quinacridone derivative (generic).

Science.gov (United States)

2010-07-01

...) Industrial, commercial, and consumer activities. Requirements as specified in § 721.80(s) (1,000 kg). (ii... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Dihydro quinacridone derivative (generic). 721.9079 Section 721.9079 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED...

Drosophila DH31 Neuropeptide and PDF Receptor Regulate Night-Onset Temperature Preference.

Science.gov (United States)

Goda, Tadahiro; Tang, Xin; Umezaki, Yujiro; Chu, Michelle L; Hamada, Fumika N

2016-11-16

Body temperature exhibits rhythmic fluctuations over a 24 h period (Refinetti and Menaker, 1992) and decreases during the night, which is associated with sleep initiation (Gilbert et al., 2004; Kräuchi, 2007a,b). However, the underlying mechanism of this temperature decrease is largely unknown. We have previously shown that Drosophila exhibit a daily temperature preference rhythm (TPR), in which their preferred temperatures increase during the daytime and then decrease at the transition from day to night (night-onset) (Kaneko et al., 2012). Because Drosophila are small ectotherms, their body temperature is very close to that of the ambient temperature (Stevenson, 1985), suggesting that their TPR generates their body temperature rhythm. Here, we demonstrate that the neuropeptide diuretic hormone 31 (DH31) and pigment-dispersing factor receptor (PDFR) contribute to regulate the preferred temperature decrease at night-onset. We show that PDFR and tethered-DH31 expression in dorsal neurons 2 (DN2s) restore the preferred temperature decrease at night-onset, suggesting that DH31 acts on PDFR in DN2s. Notably, we previously showed that the molecular clock in DN2s is important for TPR. Although PDF (another ligand of PDFR) is a critical factor for locomotor activity rhythms, Pdf mutants exhibit normal preferred temperature decreases at night-onset. This suggests that DH31-PDFR signaling specifically regulates a preferred temperature decrease at night-onset. Thus, we propose that night-onset TPR and locomotor activity rhythms are differentially controlled not only by clock neurons but also by neuropeptide signaling in the brain. Body temperature rhythm (BTR) is fundamental for the maintenance of functions essential for homeostasis, such as generating metabolic energy and sleep. One major unsolved question is how body temperature decreases dramatically during the night. Previously, we demonstrated that a BTR-like mechanism, referred to as temperature preference rhythm (TPR

Anthocyanin biosynthesis regulation of DhMYB2 and DhbHLH1 in Dendrobium hybrids petals.

Science.gov (United States)

Li, Chonghui; Qiu, Jian; Ding, Ling; Huang, Mingzhong; Huang, Surong; Yang, Guangsui; Yin, Junmei

2017-03-01

Dendrobium hybrids orchid are popular throughout the world. They have various floral color and pigmentation patterns that are mainly caused by anthocyanins. It is well established that anthocyanin biosynthesis is regulated by the interplay between MYB and bHLH transcription factors (TF) in most plants. In this study, we identified one R2R3-MYB gene, DhMYB2, and one bHLH gene, DhbHLH1, from a Dendrobium hybrid. Their expression profiles were related to anthocyanin pigmentation in Dendrobium petals. Transient over-expression of these two TF genes showed that both DhMYB2 and DhbHLH1 resulted in anthocyanin production in white petals. The interaction between the two TFs was observed in vitro. In different Dendrobium hybrids petals with various pigmentations, DhMYB2 and DhbHLH1 were co-expressed with DhDFR and DhANS, which are regarded as potential regulatory targets of the two TFs. In flowers with distinct purple lips but white or yellow petals/sepals, the expression of DhbHLH1 was only related to anthocyanin accumulation in the lips. Taken together, DhMYB2 interacted with DhbHLH1 to regulate anthocyanin production in Dendrobium hybrid petals. DhbHLH1 was also responsible for the distinct anthocyanin pigmentation in lip tissues. The functional characterization of DhMYB2 and DhbHLH1 will improve understanding of anthocyanin biosynthesis modulation in Dendrobium orchids. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Structural Characterization of N-Alkylated Twisted Amides: Consequences for Amide Bond Resonance and N-C Cleavage.

Science.gov (United States)

Hu, Feng; Lalancette, Roger; Szostak, Michal

2016-04-11

Herein, we describe the first structural characterization of N-alkylated twisted amides prepared directly by N-alkylation of the corresponding non-planar lactams. This study provides the first experimental evidence that N-alkylation results in a dramatic increase of non-planarity around the amide N-C(O) bond. Moreover, we report a rare example of a molecular wire supported by the same amide C=O-Ag bonds. Reactivity studies demonstrate rapid nucleophilic addition to the N-C(O) moiety of N-alkylated amides, indicating the lack of n(N) to π*(C=O) conjugation. Most crucially, we demonstrate that N-alkylation activates the otherwise unreactive amide bond towards σ N-C cleavage by switchable coordination. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Amide mediated enhancement of sorption efficiency of trivalent f-elements on functionalized carbon nanotube: evidence of physiosorption

International Nuclear Information System (INIS)

Gupta, Nishesh K.; Sengupta, Arijit; Rane, Vinayak G.; Kadam, R.M.

2017-01-01

Amide Functionalized multi-walled carbon nanotube (CNT-DHA) was found to enhance the sorption efficiency of trivalent lanthanides and actinides from aqueous acidic solution. Langmuir, Freundlich, Dubinin-Radushkevich (D-R) and Temkin isotherm models were employed to understand the sorption mechanism revealing the predominance of Fruendlich isotherm. The sorption energy evaluated from D-R isotherm revealed the sorption process is physisorption, which was confirmed by the no shift in the IR frequency of amide functionality of carbon nanotube on sorption. The EPR spectra of the Gd"3"+ sorbed on carbon nanotube also showed no perturbation on the local environment of Gd"3"+ on sorption again revealing the physisorption. Analysis of the sorption kinetics through Lagergren's first order kinetics, intra particle diffusion model and pseudo second order kinetics revealed that the sorption kinetics followed pseudo second order kinetics for Am"3"+ and Eu"3"+ with rate constants 4.04E-05mg g"-"1 min"-"1 and 8.27E-05 mg g"-"1 min"-"1 respectively. The radiolytic stability of CNT-DHA was evaluated and found to be satisfactory. EDTA was found to strip the trivalent lanthanides and actinides almost quantitatively. (author)

Reduced-Amide Inhibitor of Pin1 Binds in a Conformation Resembling a Twisted-Amide Transition State†

Science.gov (United States)

Xu, Guoyan G.; Zhang, Yan; Mercedes-Camacho, Ana Y.; Etzkorn, Felicia A.

2011-01-01

The mechanism of the cell cycle regulatory peptidyl prolyl isomerase (PPIase), Pin1, was investigated using reduced-amide inhibitors designed to mimic the twisted-amide transition state. Inhibitors, R–pSer–Ψ[CH2N]–Pro–2-(indol-3-yl)-ethylamine, 1 (R = fluorenylmethoxycarbonyl, Fmoc), and 2 (R = Ac), of Pin1 were synthesized and bioassayed. Inhibitor 1 had an IC50 value of 6.3 μM, which is 4.5-fold better inhibition for Pin1 than our comparable ground state analogue, a cis-amide alkene isostere containing inhibitor. The change of Fmoc to Ac in 2 improved aqueous solubility for structural determination, and resulted in an IC50 value of 12 μM. The X-ray structure of the complex of 2 bound to Pin1 was determined to 1.76 Å resolution. The structure revealed that the reduced amide adopted a conformation similar to the proposed twisted-amide transition state of Pin1, with a trans-pyrrolidine conformation of the prolyl ring. A similar conformation of substrate would be destabilized relative to the planar amide conformation. Three additional reduced amides, with Thr replacing Ser, and l- or d-pipecolate (Pip) replacing Pro, were slightly weaker inhibitors of Pin1. PMID:21980916

Backbone amide linker strategy

DEFF Research Database (Denmark)

Shelton, Anne Pernille Tofteng; Jensen, Knud Jørgen

2013-01-01

In the backbone amide linker (BAL) strategy, the peptide is anchored not at the C-terminus but through a backbone amide, which leaves the C-terminal available for various modifications. This is thus a very general strategy for the introduction of C-terminal modifications. The BAL strategy...

VCD Robustness of the Amide-I and Amide-II Vibrational Modes of Small Peptide Models.

Science.gov (United States)

Góbi, Sándor; Magyarfalvi, Gábor; Tarczay, György

2015-09-01

The rotational strengths and the robustness values of amide-I and amide-II vibrational modes of For(AA)n NHMe (where AA is Val, Asn, Asp, or Cys, n = 1-5 for Val and Asn; n = 1 for Asp and Cys) model peptides with α-helix and β-sheet backbone conformations were computed by density functional methods. The robustness results verify empirical rules drawn from experiments and from computed rotational strengths linking amide-I and amide-II patterns in the vibrational circular dichroism (VCD) spectra of peptides with their backbone structures. For peptides with at least three residues (n ≥ 3) these characteristic patterns from coupled amide vibrational modes have robust signatures. For shorter peptide models many vibrational modes are nonrobust, and the robust modes can be dependent on the residues or on their side chain conformations in addition to backbone conformations. These robust VCD bands, however, provide information for the detailed structural analysis of these smaller systems. © 2015 Wiley Periodicals, Inc.

SN 2013dh in NGC 5936 is probably a type Iax supernova

Science.gov (United States)

Jha, Saurabh W.; McCully, Curtis; Foley, Ryan J.; Cenko, S. Bradley; Zheng, WeiKang; Clubb, Kelsey I.; Shivvers, Isaac; Filippenko, Alexei V.; Tucker, Brad E.; Garnavich, Peter M.

2013-06-01

Further to CBET 3561 (Kumar et al. 2013; Cenko et al. 2013), we have analyzed spectra of SN 2013dh obtained on June 14.3 and June 17.3 UT with the Shane 3-m reflector (+ Kast spectrograph) at Lick Observatory. The observations continue to show that SN 2013dh has a blue continuum with relatively narrow (FWHM approximately 3000 km/s) Fe III absorption.

50 CFR 404.10 - Commercial fishing.

Science.gov (United States)

2010-10-01

... 50 Wildlife and Fisheries 7 2010-10-01 2010-10-01 false Commercial fishing. 404.10 Section 404.10... MARINE NATIONAL MONUMENT § 404.10 Commercial fishing. (a) Lobster fishing. Any commercial lobster fishing... species. (1) Notwithstanding the prohibitions in § 404.7(a) and (h), commercial fishing for bottomfish and...

20 CFR 404.1623 - Facilities.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Facilities. 404.1623 Section 404.1623...- ) Determinations of Disability Administrative Responsibilities and Requirements § 404.1623 Facilities. (a) Space... determinations. (b) Location of facilities. Subject to appropriate Federal funding, the State will determine the...

40 CFR 721.3720 - Fatty amide.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fatty amide. 721.3720 Section 721.3720... Fatty amide. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a fatty amide (PMN P-91-87) is subject to reporting under this section...

40 CFR 721.2120 - Cyclic amide.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Cyclic amide. 721.2120 Section 721... Cyclic amide. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as a cyclic amide (PMN P-92-131) is subject to reporting under this section for the...

Discovery of competing anaerobic and aerobic pathways in umpolung amide synthesis allows for site-selective amide 18O-labeling

Science.gov (United States)

Shackleford, Jessica P.; Shen, Bo; Johnston, Jeffrey N.

2012-01-01

The mechanism of umpolung amide synthesis was probed by interrogating potential sources for the oxygen of the product amide carbonyl that emanates from the α-bromo nitroalkane substrate. Using a series of 18O-labeled substrates and reagents, evidence is gathered to advance two pathways from the putative tetrahedral intermediate. Under anaerobic conditions, a nitro-nitrite isomerization delivers the amide oxygen from nitro oxygen. The same homolytic nitro-carbon fragmentation can be diverted by capture of the carbon radical intermediate with oxygen gas (O2) to deliver the amide oxygen from O2. This understanding was used to develop a straightforward protocol for the preparation of 18O-labeled amides in peptides by simply performing the umpolung amide synthesis reaction under an atmosphere of . PMID:22184227

A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.

Science.gov (United States)

Xu, Guoyan G; Zhang, Yan; Mercedes-Camacho, Ana Y; Etzkorn, Felicia A

2011-11-08

The mechanism of the cell cycle regulatory peptidyl prolyl isomerase (PPIase), Pin1, was investigated using reduced-amide inhibitors designed to mimic the twisted-amide transition state. Inhibitors, R-pSer-Ψ[CH(2)N]-Pro-2-(indol-3-yl)ethylamine, 1 [R = fluorenylmethoxycarbonyl (Fmoc)] and 2 (R = Ac), of Pin1 were synthesized and bioassayed. Inhibitor 1 had an IC(50) value of 6.3 μM, which is 4.5-fold better for Pin1 than our comparable ground-state analogue, a cis-amide alkene isostere-containing inhibitor. The change of Fmoc to Ac in 2 improved aqueous solubility for structural determination and resulted in an IC(50) value of 12 μM. The X-ray structure of the complex of 2 bound to Pin1 was determined to 1.76 Å resolution. The structure revealed that the reduced amide adopted a conformation similar to the proposed twisted-amide transition state of Pin1, with a trans-pyrrolidine conformation of the prolyl ring. A similar conformation of substrate would be destabilized relative to the planar amide conformation. Three additional reduced amides, with Thr replacing Ser and l- or d-pipecolate (Pip) replacing Pro, were slightly weaker inhibitors of Pin1.

Dicty_cDB: SLC404 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available SL (Link to library) SLC404 (Link to dictyBase) - G22406 DDB0190371 Contig-U03918-1 SLC4...04E (Link to Original site) - - - - - - SLC404E 229 Show SLC404 Library SL (Link to library) Clone ID SLC4...riginal site URL http://dictycdb.biol.tsukuba.ac.jp/CSM/SL/SLC4-A/SLC404Q.Seq.d/ ...Representative seq. ID SLC404E (Link to Original site) Representative DNA sequence >SLC404 (SLC404Q) /CSM/SL/SLC4-A/SLC4...y vs CSM-cDNA Score E Sequences producing significant alignments: (bits) Value SLC404 (SLC404Q) /CSM/SL/SLC4-A/SLC4

12 CFR 404.2 - Definitions.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Definitions. 404.2 Section 404.2 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.2 Definitions. For purposes of this subpart, the...

Microorganisms hydrolyse amide bonds; knowledge enabling read-across of biodegradability of fatty acid amides

NARCIS (Netherlands)

Geerts, R.; Kuijer, P.; Ginkel, van C.G.; Plugge, C.M.

2014-01-01

To get insight in the biodegradation and potential read-across of fatty acid amides, N-[3-(dimethylamino)propyl] cocoamide and N-(1-ethylpiperazine) tall oil amide were used as model compounds. Two bacteria, Pseudomonas aeruginosa PK1 and Pseudomonas putida PK2 were isolated with

25 CFR 40.4 - Security.

Science.gov (United States)

2010-04-01

... 25 Indians 1 2010-04-01 2010-04-01 false Security. 40.4 Section 40.4 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR EDUCATION ADMINISTRATION OF EDUCATIONAL LOANS, GRANTS AND OTHER ASSISTANCE FOR HIGHER EDUCATION § 40.4 Security. If a borrower or cosigner has security to offer for an...

12 CFR 404.13 - Definitions.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Definitions. 404.13 Section 404.13 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.13 Definitions. For purposes of this subpart, the following definitions shall apply...

An Efficient Amide-Aldehyde-Alkene Condensation: Synthesis for the N-Allyl Amides.

Science.gov (United States)

Quan, Zheng-Jun; Wang, Xi-Cun

2016-02-01

The allylamine skeleton represents a significant class of biologically active nitrogen compounds that are found in various natural products and drugs with well-recognized pharmacological properties. In this personal account, we will briefly discuss the synthesis of allylamine skeletons. We will focus on showing a general protocol for Lewis acid-catalyzed N-allylation of electron-poor N-heterocyclic amides and sulfonamide via an amide-aldehyde-alkene condensation reaction. The substrate scope with respect to N-heterocyclic amides, aldehydes, and alkenes will be discussed. This method is also capable of preparing the Naftifine motif from N-methyl-1-naphthamide or methyl (naphthalene-1-ylmethyl)carbamate, with paraformaldehyde and styrene in a one-pot manner. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

20 CFR 404.101 - Introduction.

Science.gov (United States)

2010-04-01

... disability insurance benefits are in §§ 404.130 through 404.133. Whether you have the required insured status depends on the number of quarters of coverage (QCs) you have acquired. (b) QCs. This subpart also sets out... through 404.120 we tell how we determine if you are fully or currently insured. The rules for determining...

Hepatoprotective amide constituents from the fruit of Piper chaba: Structural requirements, mode of action, and new amides.

Science.gov (United States)

Matsuda, Hisashi; Ninomiya, Kiyofumi; Morikawa, Toshio; Yasuda, Daisuke; Yamaguchi, Itadaki; Yoshikawa, Masayuki

2009-10-15

The 80% aqueous acetone extract from the fruit of Piper chaba (Piperaceae) was found to have hepatoprotective effects on D-galactosamine (D-GalN)/lipopolysaccharide-induced liver injury in mice. From the ethyl acetate-soluble fraction, three new amides, piperchabamides E, G, and H, 33 amides, and four aromatic constituents were isolated. Among the isolates, several amide constituents inhibited D-GalN/tumor necrosis factor-alpha (TNF-alpha)-induced death of hepatocytes, and the following structural requirements were suggested: (i) the amide moiety is essential for potent activity; and (ii) the 1,9-decadiene structure between the benzene ring and the amide moiety tended to enhance the activity. Moreover, a principal constituent, piperine, exhibited strong in vivo hepatoprotective effects at doses of 5 and 10 mg/kg, po and its mode of action was suggested to depend on the reduced sensitivity of hepatocytes to TNF-alpha.

Hydrogen abstraction reactions by amide electron adducts

International Nuclear Information System (INIS)

Sevilla, M.D.; Sevilla, C.L.; Swarts, S.

1982-01-01

Electron reactions with a number of peptide model compounds (amides and N-acetylamino acids) in aqueous glasses at low temperature have been investigated using ESR spectroscopy. The radicals produced by electron attachment to amides, RC(OD)NDR', are found to act as hydrogen abstracting agents. For example, the propionamide electron adduct is found to abstract from its parent propionamide. Electron adducts of other amides investigated show similar behavior except for acetamide electron adduct which does not abstract from its parent compound, but does abstract from other amides. The tendency toward abstraction for amide electron adducts are compared to electron adducts of several carboxylic acids, ketones, aldehydes and esters. The comparison suggests the hydrogen abstraction tendency of the various deuterated electron adducts (DEAs) to be in the following order: aldehyde DEA > acid DEA = approximately ester DEA > ketone DEA > amide DEA. In basic glasses the hydrogen abstraction ability of the amide electron adducts is maintained until the concentration of base is increased sufficiently to convert the DEA to its anionic form, RC(O - )ND 2 . In this form the hydrogen abstracting ability of the radical is greatly diminished. Similar results were found for the ester and carboxylic acid DEA's tested. (author)

An oxidative amidation and heterocyclization approach for the synthesis of β-carbolines and dihydroeudistomin Y

Directory of Open Access Journals (Sweden)

Suresh Babu Meruva

2014-02-01

Full Text Available A novel synthetic methodology has been developed for the synthesis of dihydro-β-carboline derivatives employing oxidative amidation–Bischler–Napieralski reaction conditions using tryptamine and 2,2-dibromo-1-phenylethanone as key starting materials. A number of dihydro-β-carboline derivatives have been synthesized in moderate to good yields using this methodology. Attempts were made towards the conversion of these dihydro-β-carbolines to naturally occurring eudistomin alkaloids.

Modeling holo-ACP:DH and holo-ACP:KR complexes of modular polyketide synthases: a docking and molecular dynamics study

Directory of Open Access Journals (Sweden)

Anand Swadha

2012-05-01

Full Text Available Abstract Background Modular polyketide synthases are multifunctional megasynthases which biosynthesize a variety of secondary metabolites using various combinations of dehydratase (DH, ketoreductase (KR and enoyl-reductase (ER domains. During the catalysis of various reductive steps these domains act on a substrate moiety which is covalently attached to the phosphopantetheine (P-pant group of the holo-Acyl Carrier Protein (holo-ACP domain, thus necessitating the formation of holo-ACP:DH and holo-ACP:KR complexes. Even though three dimensional structures are available for DH, KR and ACP domains, no structures are available for DH or KR domains in complex with ACP or substrate moieties. Since Ser of holo-ACP is covalently attached to a large phosphopantetheine group, obtaining complexes involving holo-ACP by standard protein-protein docking has been a difficult task. Results We have modeled the holo-ACP:DH and holo-ACP:KR complexes for identifying specific residues on DH and KR domains which are involved in interaction with ACP, phosphopantetheine and substrate moiety. A novel combination of protein-protein and protein-ligand docking has been used to first model complexes involving apo-ACP and then dock the phosphopantetheine and substrate moieties using covalent connectivity between ACP, phosphopantetheine and substrate moiety as constraints. The holo-ACP:DH and holo-ACP:KR complexes obtained from docking have been further refined by restraint free explicit solvent MD simulations to incorporate effects of ligand and receptor flexibilities. The results from 50 ns MD simulations reveal that substrate enters into a deep tunnel in DH domain while in case of KR domain the substrate binds a shallow surface exposed cavity. Interestingly, in case of DH domain the predicted binding site overlapped with the binding site in the inhibitor bound crystal structure of FabZ, the DH domain from E.Coli FAS. In case of KR domain, the substrate binding site

Amides in Nature and Biocatalysis

NARCIS (Netherlands)

Pitzer, J.; Steiner, K.

2016-01-01

Amides are widespread in biologically active compounds with a broad range of applications in biotechnology, agriculture and medicine. Therefore, as alternative to chemical synthesis the biocatalytic amide synthesis is a very interesting field of research. As usual, Nature can serve as guide in the

THE TYPE IIb SUPERNOVA 2011dh FROM A SUPERGIANT PROGENITOR

International Nuclear Information System (INIS)

Bersten, Melina C.; Nomoto, Ken'ichi; Folatelli, Gastón; Maeda, Keiichi; Benvenuto, Omar G.; Ergon, Mattias; Sollerman, Jesper; Benetti, Stefano; Ochner, Paolo; Tomasella, Lina; Botticella, Maria Teresa; Fraser, Morgan; Kotak, Rubina

2012-01-01

A set of hydrodynamical models based on stellar evolutionary progenitors is used to study the nature of SN 2011dh. Our modeling suggests that a large progenitor star—with R ∼ 200 R ☉ —is needed to reproduce the early light curve (LC) of SN 2011dh. This is consistent with the suggestion that the yellow super-giant star detected at the location of the supernova (SN) in deep pre-explosion images is the progenitor star. From the main peak of the bolometric LC and expansion velocities, we constrain the mass of the ejecta to be ≈2 M ☉ , the explosion energy to be E = (6-10) × 10 50 erg, and the 56 Ni mass to be approximately 0.06 M ☉ . The progenitor star was composed of a helium core of 3-4 M ☉ and a thin hydrogen-rich envelope of ≈0.1M ☉ with a main-sequence mass estimated to be in the range of 12-15 M ☉ . Our models rule out progenitors with helium-core masses larger than 8 M ☉ , which correspond to M ZAMS ∼> 25M ☉ . This suggests that a single star evolutionary scenario for SN 2011dh is unlikely.

5 CFR 841.404 - Demographic factors.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 2 2010-01-01 2010-01-01 false Demographic factors. 841.404 Section 841.404 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT (CONTINUED) CIVIL SERVICE REGULATIONS (CONTINUED) FEDERAL EMPLOYEES RETIREMENT SYSTEM-GENERAL ADMINISTRATION Government Costs § 841.404 Demographic...

Rhodium-catalyzed asymmetric hydroboration of γ,δ-unsaturated amide derivatives: δ-borylated amides.

Science.gov (United States)

Hoang, G L; Zhang, S; Takacs, J M

2018-05-08

γ,δ-Unsaturated amides in which the alkene moiety bears an aryl or heteroaryl substituent undergo regioselective rhodium-catalyzed δ-borylation by pinacolborane to afford chiral secondary benzylic boronic esters. The results contrast the γ-borylation of γ,δ-unsaturated amides in which the disubstituted alkene moiety bears only alkyl substituents; the reversal in regiochemistry is coupled with a reversal in the sense of π-facial selectivity.

Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond.

Science.gov (United States)

Mujika, Jon I; Formoso, Elena; Mercero, Jose M; Lopez, Xabier

2006-08-03

We present an ab initio study of the acid hydrolysis of a highly twisted amide and a planar amide analogue. The aim of these studies is to investigate the effect that the twist of the amide bond has on the reaction barriers and mechanism of acid hydrolysis. Concerted and stepwise mechanisms were investigated using density functional theory and polarizable continuum model calculations. Remarkable differences were observed between the mechanism of twisted and planar amide, due mainly to the preference for N-protonation of the former and O-protonation of the latter. In addition, we were also able to determine that the hydrolytic mechanism of the twisted amide will be pH dependent. Thus, there is a preference for a stepwise mechanism with formation of an intermediate in the acid hydrolysis, whereas the neutral hydrolysis undergoes a concerted-type mechanism. There is a nice agreement between the characterized intermediate and available X-ray data and a good agreement with the kinetically estimated rate acceleration of hydrolysis with respect to analogous undistorted amide compounds. This work, along with previous ab initio calculations, describes a complex and rich chemistry for the hydrolysis of highly twisted amides as a function of pH. The theoretical data provided will allow for a better understanding of the available kinetic data of the rate acceleration of amides upon twisting and the relation of the observed rate acceleration with intrinsic differential reactivity upon loss of amide bond resonance.

20 CFR 404.1044 - Vacation pay.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Vacation pay. 404.1044 Section 404.1044 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Wages § 404.1044 Vacation pay. We consider...

20 CFR 404.1045 - Employee expenses.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Employee expenses. 404.1045 Section 404.1045 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Wages § 404.1045 Employee expenses. Amounts...

12 CFR 404.11 - Administrative appeal.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Administrative appeal. 404.11 Section 404.11 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.11 Administrative appeal. (a) General...

7 CFR 1421.404 - Financial security.

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2010-01-01

... 7 Agriculture 10 2010-01-01 2010-01-01 false Financial security. 1421.404 Section 1421.404...-MARKETING ASSISTANCE LOANS AND LOAN DEFICIENCY PAYMENTS FOR 2008 THROUGH 2012 Designated Marketing Associations for Peanuts § 1421.404 Financial security. In order to be approved to handle loans and loan...

20 CFR 654.404 - Housing site.

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2010-04-01

... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Housing site. 654.404 Section 654.404... THE EMPLOYMENT SERVICE SYSTEM Housing for Agricultural Workers Housing Standards § 654.404 Housing site. (a) Housing sites shall be well drained and free from depressions in which water may stagnate...

20 CFR 404.230 - Guaranteed alternative.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Guaranteed alternative. 404.230 Section 404... INSURANCE (1950- ) Computing Primary Insurance Amounts Guaranteed Alternative for People Reaching Age 62 After 1978 But Before 1984 § 404.230 Guaranteed alternative. (a) General. If you reach age 62 after 1978...

20 CFR 404.1805 - Paying benefits.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Paying benefits. 404.1805 Section 404.1805 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Payment Procedures § 404.1805 Paying benefits. (a) As soon as possible after we have made a determination...

Amide-transforming activity of Streptomyces: possible application to the formation of hydroxy amides and aminoalcohols.

Science.gov (United States)

Yamada, Shinya; Miyagawa, Taka-Aki; Yamada, Ren; Shiratori-Takano, Hatsumi; Sayo, Noboru; Saito, Takao; Takano, Hideaki; Beppu, Teruhiko; Ueda, Kenji

2013-07-01

To develop an efficient bioconversion process for amides, we screened our collection of Streptomyces strains, mostly obtained from soil, for effective transformers. Five strains, including the SY007 (NBRC 109343) and SY435 (NBRC 109344) of Streptomyces sp., exhibited marked conversion activities from the approximately 700 strains analyzed. These strains transformed diverse amide compounds such as N-acetyltetrahydroquinoline, N-benzoylpyrrolidine, and N-benzoylpiperidine into alcohols or N,O-acetals with high activity and regioselectivity. N,O-acetal was transformed into alcohol by serial tautomerization and reduction reactions. As such, Streptomyces spp. can potentially be used for the efficient preparation of hydroxy amides and aminoalcohols.

12 CFR 404.4 - Request requirements.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Request requirements. 404.4 Section 404.4 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.4 Request requirements. (a) Form. Requests...

12 CFR 404.8 - Initial determination.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Initial determination. 404.8 Section 404.8 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.8 Initial determination. (a) Authority to...

20 CFR 404.1086 - Community income.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Community income. 404.1086 Section 404.1086...- ) Employment, Wages, Self-Employment, and Self-Employment Income Self-Employment Income § 404.1086 Community income. If community property laws apply to income that an individual derives from a trade or business...

20 CFR 404.1027 - Railroad work.

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2010-04-01

...- ) Employment, Wages, Self-Employment, and Self-Employment Income Work Excluded from Employment § 404.1027 Railroad work. We exclude from employment any work you do as an employee or employee representative as... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Railroad work. 404.1027 Section 404.1027...

Luciferin Amides Enable in Vivo Bioluminescence Detection of Endogenous Fatty Acid Amide Hydrolase Activity.

Science.gov (United States)

Mofford, David M; Adams, Spencer T; Reddy, G S Kiran Kumar; Reddy, Gadarla Randheer; Miller, Stephen C

2015-07-15

Firefly luciferase is homologous to fatty acyl-CoA synthetases. We hypothesized that the firefly luciferase substrate d-luciferin and its analogs are fatty acid mimics that are ideally suited to probe the chemistry of enzymes that release fatty acid products. Here, we synthesized luciferin amides and found that these molecules are hydrolyzed to substrates for firefly luciferase by the enzyme fatty acid amide hydrolase (FAAH). In the presence of luciferase, these molecules enable highly sensitive and selective bioluminescent detection of FAAH activity in vitro, in live cells, and in vivo. The potency and tissue distribution of FAAH inhibitors can be imaged in live mice, and luciferin amides serve as exemplary reagents for greatly improved bioluminescence imaging in FAAH-expressing tissues such as the brain.

Generation of 4,5-Dihydro-1,2,3-oxadiazole and Study of the Decomposition Products

OpenAIRE

Singh, Neeraj

2015-01-01

4,5-Dihydro-1,2,3-oxadiazoles are postulated to be key intermediates in the synthesis of ketones from alkenes on an industrial scale, alkylation of DNA in vivo, decomposition of N-nitrosoureas (potent carcinogens), and are also a subject of great interest for theoretical chemists. In this thesis, formation of the parent compound and decay into secondary products has been studied by NMR monitoring analysis. The elusive properties and the intermediacy of the parent compound, 4,5-dihydro-1,2,3-o...

Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.

Science.gov (United States)

Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun

2018-05-18

Amide bond formation is one of the most important transformations in organic synthesis, drug development, and materials science. Efficient construction of amides has been among the most challenging tasks for organic chemists. Herein, we report a concise methodology for amide bond (-CONH-) formation assisted by vicinal group migration in alkylthio-functionalized enaminones (α-oxo ketene N, S-acetals) under mild conditions. Simple treatment of such enaminones with PhI(OAc) 2 at ambient temperature in air afforded diverse multiply functionalized α,β-unsaturated amides including β-cyclopropylated acrylamides, in which a wide array of functional groups such as aryl, (hetero)aryl, alkenyl, and alkyl can be conveniently introduced to a ketene moiety. The reaction mechanism was investigated by exploring the origins of the amide oxygen and carbon atoms as well as isolation and structural characterization of the reaction intermediates. The amide bond formation reactions could also be efficiently performed under solventless mechanical milling conditions.

20 CFR 404.1073 - Public office.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Public office. 404.1073 Section 404.1073...- ) Employment, Wages, Self-Employment, and Self-Employment Income Self-Employment § 404.1073 Public office. (a) General. The performance of the functions of a public office is not a trade or business except under the...

12 CFR 404.15 - Initial determination.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Initial determination. 404.15 Section 404.15 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.15 Initial determination. (a) Time for processing. The Freedom of...

12 CFR 404.22 - Government contracts.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Government contracts. 404.22 Section 404.22 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.22 Government contracts. (a) Approval by Assistant General Counsel for...

50 CFR 404.12 - International law.

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2010-10-01

... 50 Wildlife and Fisheries 7 2010-10-01 2010-10-01 false International law. 404.12 Section 404.12... MARINE NATIONAL MONUMENT § 404.12 International law. These regulations shall be applied in accordance with international law. No restrictions shall apply to or be enforced against a person who is not a...

The corticotropin-releasing factor-like diuretic hormone 44 (DH44) and kinin neuropeptides modulate desiccation and starvation tolerance in Drosophila melanogaster.

Science.gov (United States)

Cannell, Elizabeth; Dornan, Anthony J; Halberg, Kenneth A; Terhzaz, Selim; Dow, Julian A T; Davies, Shireen-A

2016-06-01

Malpighian tubules are critical organs for epithelial fluid transport and stress tolerance in insects, and are under neuroendocrine control by multiple neuropeptides secreted by identified neurons. Here, we demonstrate roles for CRF-like diuretic hormone 44 (DH44) and Drosophila melanogaster kinin (Drome-kinin, DK) in desiccation and starvation tolerance. Gene expression and labelled DH44 ligand binding data, as well as highly selective knockdowns and/or neuronal ablations of DH44 in neurons of the pars intercerebralis and DH44 receptor (DH44-R2) in Malpighian tubule principal cells, indicate that suppression of DH44 signalling improves desiccation tolerance of the intact fly. Drome-kinin receptor, encoded by the leucokinin receptor gene, LKR, is expressed in DH44 neurons as well as in stellate cells of the Malpighian tubules. LKR knockdown in DH44-expressing neurons reduces Malpighian tubule-specific LKR, suggesting interactions between DH44 and LK signalling pathways. Finally, although a role for DK in desiccation tolerance was not defined, we demonstrate a novel role for Malpighian tubule cell-specific LKR in starvation tolerance. Starvation increases gene expression of epithelial LKR. Also, Malpighian tubule stellate cell-specific knockdown of LKR significantly reduced starvation tolerance, demonstrating a role for neuropeptide signalling during starvation stress. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

How amide hydrogens exchange in native proteins.

Science.gov (United States)

Persson, Filip; Halle, Bertil

2015-08-18

Amide hydrogen exchange (HX) is widely used in protein biophysics even though our ignorance about the HX mechanism makes data interpretation imprecise. Notably, the open exchange-competent conformational state has not been identified. Based on analysis of an ultralong molecular dynamics trajectory of the protein BPTI, we propose that the open (O) states for amides that exchange by subglobal fluctuations are locally distorted conformations with two water molecules directly coordinated to the N-H group. The HX protection factors computed from the relative O-state populations agree well with experiment. The O states of different amides show little or no temporal correlation, even if adjacent residues unfold cooperatively. The mean residence time of the O state is ∼100 ps for all examined amides, so the large variation in measured HX rate must be attributed to the opening frequency. A few amides gain solvent access via tunnels or pores penetrated by water chains including native internal water molecules, but most amides access solvent by more local structural distortions. In either case, we argue that an overcoordinated N-H group is necessary for efficient proton transfer by Grotthuss-type structural diffusion.

How amide hydrogens exchange in native proteins

Science.gov (United States)

Persson, Filip; Halle, Bertil

2015-01-01

Amide hydrogen exchange (HX) is widely used in protein biophysics even though our ignorance about the HX mechanism makes data interpretation imprecise. Notably, the open exchange-competent conformational state has not been identified. Based on analysis of an ultralong molecular dynamics trajectory of the protein BPTI, we propose that the open (O) states for amides that exchange by subglobal fluctuations are locally distorted conformations with two water molecules directly coordinated to the N–H group. The HX protection factors computed from the relative O-state populations agree well with experiment. The O states of different amides show little or no temporal correlation, even if adjacent residues unfold cooperatively. The mean residence time of the O state is ∼100 ps for all examined amides, so the large variation in measured HX rate must be attributed to the opening frequency. A few amides gain solvent access via tunnels or pores penetrated by water chains including native internal water molecules, but most amides access solvent by more local structural distortions. In either case, we argue that an overcoordinated N–H group is necessary for efficient proton transfer by Grotthuss-type structural diffusion. PMID:26195754

20 CFR 404.1242 - Back pay.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Back pay. 404.1242 Section 404.1242 Employees... Prior to 1987 § 404.1242 Back pay. (a) Back pay defined. Back pay is pay received in one period of time... an employer. It includes pay made under Federal or State laws intended to create an employment...

trans-2-Phenyl-4-thiophenoxy-3,4-dihydro-2H-1-benzothiopyran

Directory of Open Access Journals (Sweden)

Rammohan Pal

2011-02-01

Full Text Available Iodine-catalyzed cyclocondensation of cinnamaldehyde and thiophenol yields rapidly trans-2-phenyl-4-thiophenoxy-3,4-dihydro-2H-1-benzothiopyran in excellent yield with very high diastereoselectivity.

High technology at 'General Turbo', DH 12/13 balance-over speed testing stand

International Nuclear Information System (INIS)

Nuta, Florian Nicolae; Vasiliu, Dinu; Mauna, Traian

2005-01-01

'General Turbo' activity started in 1970 including building the balancing and over speed stand. DH 12/13 is the latest up-to-date facility of this type, the best one of the five in Europe, and was commissioned in 2004. The facility was especially built to be used for Romanian Nuclear Power Plant rotor testing and also for thermal very big rotors. The paper underlines the main attributes and the components of the facility DH 12/13 based on the Schenck technology. (authors)

Poly(ester-amide)s derived from PET containing uniform bisester amide segments

OpenAIRE

Ascanio Nuñez, Yanireth

2013-01-01

Poly(ethylene terephthalate) has experienced a growth in its demand as a bottle container and food packaging material. However, in order to expand its uses, its barrier properties to gases like carbon dioxide and oxygen, have to be improved. In this way, bisester amide units have been introduced as a third component in the main chain of PET, with the aim to reduce both CO2 and O2 permeability. In this project, poly(ester-amide)s based on PET (PETxMXy) have been synthesized, according to th...

Catalytic synthesis of amides via aldoximes rearrangement.

Science.gov (United States)

Crochet, Pascale; Cadierno, Victorio

2015-02-14

Amide bond formation reactions are among the most important transformations in organic chemistry because of the widespread occurrence of amides in pharmaceuticals, natural products and biologically active compounds. The Beckmann rearrangement is a well-known method to generate secondary amides from ketoximes. However, under the acidic conditions commonly employed, aldoximes RHC=NOH rarely rearrange into the corresponding primary amides RC(=O)NH2. In recent years, it was demonstrated that this atom-economical transformation can be carried out efficiently and selectively with the help of metal catalysts. Several homogeneous and heterogenous systems have been described. In addition, protocols offering the option to generate the aldoximes in situ from the corresponding aldehydes and hydroxylamine, or even from alcohols, have also been developed, as well as a series of tandem processes allowing the access to N-substituted amide products. In this Feature article a comprehensive overview of the advances achieved in this particular research area is presented.

48 CFR 9904.404-61 - Interpretation. [Reserved

Science.gov (United States)

2010-10-01

...] 9904.404-61 Section 9904.404-61 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-61 Interpretation. [Reserved] ...

Distribution and activity of a Dippu DH31-like peptide in the large milkweed bug Oncopeltus fasciatus.

Science.gov (United States)

Te Brugge, V A; Orchard, I

2008-02-01

The milkweed bug, Oncopeltus fasciatus, is a plant feeding hemipteran. While there has been much research done on the neurohormonal control of the post-feeding diuresis in the blood-feeding hemipteran, Rhodnius prolixus, little is known about the control of the post-feeding diuresis in O. fasciatus. One of the neurohormones that may play a role in this rapid diuresis belongs to the calcitonin-like diuretic hormone (DH31) family of insect peptides. In this study we demonstrate the presence of DH31-like immunoreactivity in the central nervous system (CNS) and gut of O. fasciatus 5th instars. As well, DH31-like material was quantified and partially purified from the CNS of 5th instar O. fasciatus using reversed-phase liquid chromatography (RPLC) and monitored with an enzyme-linked immunosorbent assay (ELISA). When tested on O. fasciatus 5th instar Malpighian tubules, DH31-like peptides significantly increased the rate of secretion over saline controls. The results suggest that there is a DH31-like peptide(s) present in the CNS of O. fasciatus and that this peptide may play a role in the control of Malpighian tubule secretion.

Palladium-catalyzed Suzuki-Miyaura coupling of amides by carbon-nitrogen cleavage: general strategy for amide N-C bond activation.

Science.gov (United States)

Meng, Guangrong; Szostak, Michal

2016-06-15

The first palladium-catalyzed Suzuki-Miyaura cross-coupling of amides with boronic acids for the synthesis of ketones by sterically-controlled N-C bond activation is reported. The transformation is characterized by operational simplicity using bench-stable, commercial reagents and catalysts, and a broad substrate scope, including substrates with electron-donating and withdrawing groups on both coupling partners, steric-hindrance, heterocycles, halides, esters and ketones. The scope and limitations are presented in the synthesis of >60 functionalized ketones. Mechanistic studies provide insight into the catalytic cycle of the cross-coupling, including the first experimental evidence for Pd insertion into the amide N-C bond. The synthetic utility is showcased by a gram-scale cross-coupling and cross-coupling at room temperature. Most importantly, this process provides a blueprint for the development of a plethora of metal catalyzed reactions of typically inert amide bonds via acyl-metal intermediates. A unified strategy for amide bond activation to enable metal insertion into N-C amide bond is outlined ().

Photochemical reduction of uranyl ion with amides

International Nuclear Information System (INIS)

Brar, A.S.; Chander, R.; Sandhu, S.S.

1981-01-01

The photochemical reduction of uranyl ion by formamide, acetamide, propionamide, butyramide, iso butyramids, n-methylformamide, N, N-dimethylformamide and N, N-diethylformamide in aqueous medium using radiation >= 380 nm from a medium pressure mercury vapour lamp has been investigated. The reduction with the said amides has been found to obey pseudo first order kinetics. The magnitude of the rate of reduction for the simple amides has been found to follow the following order formamide > isobutyramide approx. butyramide > propionamide > acetamide while the rate order for N-alkylformamides compared with that of the formamide has been found to be formamide > N-methylformamide > N,N-diethylformamide approx. N,N-dimethylformamide. The pseudo first order rate constants and quenching constants have been found from the kinetic data. It has been found that physical and chemical quenching compete with each other. Plots of reciprocal of quantum yields versus reciprocal [amide] have been found to be linear with intercepts on the ordinate axis. Absorption spectra of uranyl ion in doubly distilled water, in the presence of acid and in the presence of acid and amide reveal that there is no ground state interaction between uranyl ion and the amide. A mechanism of photoreduction of uranyl ion with amides has been proposed. (author)

48 CFR 9904.404-40 - Fundamental requirement.

Science.gov (United States)

2010-10-01

.... 9904.404-40 Section 9904.404-40 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-40 Fundamental requirement. (a) The acquisition cost...

Nickel-Catalyzed Reductive Transamidation of Secondary Amides with Nitroarenes

OpenAIRE

Cheung, Chi Wai; Ploeger, Marten Leendert; Hu, Xile

2017-01-01

Transmidation is an attractive method for amide synthesis. However, transamidation of secondary amides is challenging. Here, we describe a reductive transamidation method that employs readily available nitro(hetero)arenes as the nitrogen sources, zinc or manganese as reductant, and simple nickel salt and ligand as a catalyst system. The scope of amides includes both alkyl and aryl secondary amides, with high functional group compatibility.

In vivo growth-inhibition of Sarcoma 180 by piplartine and piperine, two alkaloid amides from Piper

Directory of Open Access Journals (Sweden)

D.P. Bezerra

2006-06-01

Full Text Available Piplartine {5,6-dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl-2-propenyl]-2(1Hpyridinone} and piperine {1-5-(1,3-benzodioxol-5-yl-1-oxo-2,4-pentadienyl]piperidine} are alkaloid amides isolated from Piper. Both have been reported to show cytotoxic activity towards several tumor cell lines. In the present study, the in vivo antitumor activity of these compounds was evaluated in 60 female Swiss mice (N = 10 per group transplanted with Sarcoma 180. Histopathological and morphological analyses of the tumor and the organs, including liver, spleen, and kidney, were performed in order to evaluate the toxicological aspects of the treatment with these amides. Administration of piplartine or piperine (50 or 100 mg kg-1 day-1 intraperitoneally for 7 days starting 1 day after inoculation inhibited solid tumor development in mice transplanted with Sarcoma 180 cells. The inhibition rates were 28.7 and 52.3% for piplartine and 55.1 and 56.8% for piperine, after 7 days of treatment, at the lower and higher doses, respectively. The antitumor activity of piplartine was related to inhibition of the tumor proliferation rate, as observed by reduction of Ki67 staining, a nuclear antigen associated with G1, S, G2, and M cell cycle phases, in tumors from treated animals. However, piperine did not inhibit cell proliferation as observed in Ki67 immunohistochemical analysis. Histopathological analysis of liver and kidney showed that both organs were reversibly affected by piplartine and piperine treatment, but in a different way. Piperine was more toxic to the liver, leading to ballooning degeneration of hepatocytes, accompanied by microvesicular steatosis in some areas, than piplartine which, in turn, was more toxic to the kidney, leading to discrete hydropic changes of the proximal tubular and glomerular epithelium and tubular hemorrhage in treated animals.

20 CFR 404.1096 - Self-employment income.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Self-employment income. 404.1096 Section 404... INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Self-Employment Income § 404.1096 Self-employment income. (a) General. Self-employment income is the amount of your net...

50 CFR 222.404 - Observer program sampling.

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2010-10-01

... 50 Wildlife and Fisheries 7 2010-10-01 2010-10-01 false Observer program sampling. 222.404 Section 222.404 Wildlife and Fisheries NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC... Requirement § 222.404 Observer program sampling. (a) During the program design, NMFS would be guided by the...

The Imprint of Atmospheric Evolution in the D/H of Hesperian Clay Minerals on Mars

Science.gov (United States)

Mahaffy, P. R.; Webster, C. R.; Stern, J. C.; Brunner, A. E.; Atreya, S. K.; Conrad, P. G.; Domagal-Goldman, S.; Eigenbrode, J. L.; Flesch, G. J.; Christensen, L. E.;

Poly(ether ester amide)s for tissue engineering

NARCIS (Netherlands)

Deschamps, A.A.; van Apeldoorn, Aart A.; de Bruijn, Joost Dick; Grijpma, Dirk W.; Feijen, Jan

2003-01-01

Poly(ether ester amide) (PEEA) copolymers based on poly(ethylene glycol) (PEG), 1,4-butanediol and dimethyl-7,12-diaza-6,13-dione-1,18-octadecanedioate were evaluated as scaffold materials for tissue engineering. A PEEA copolymer based on PEG with a molecular weight of 300 g/mol and 25 wt% of soft

Amide to Alkyne Interconversion via a Nickel/Copper-Catalyzed Deamidative Cross-Coupling of Aryl and Alkenyl Amides.

Science.gov (United States)

Srimontree, Watchara; Chatupheeraphat, Adisak; Liao, Hsuan-Hung; Rueping, Magnus

2017-06-16

A nickel-catalyzed deamidative cross-coupling reaction of amides with terminal alkynes as coupling partners was disclosed. This newly developed methodology allows the direct interconversion of amides to alkynes and enables a facile route for C(sp2)-C(sp) bond formation in a straightforward and mild fashion.

Amide to Alkyne Interconversion via a Nickel/Copper-Catalyzed Deamidative Cross-Coupling of Aryl and Alkenyl Amides

KAUST Repository

Srimontree, Watchara; Chatupheeraphat, Adisak; Liao, Hsuan-Hung; Rueping, Magnus

2017-01-01

A nickel-catalyzed deamidative cross-coupling reaction of amides with terminal alkynes as coupling partners was disclosed. This newly developed methodology allows the direct interconversion of amides to alkynes and enables a facile route for C(sp2)-C(sp) bond formation in a straightforward and mild fashion.

Amide to Alkyne Interconversion via a Nickel/Copper-Catalyzed Deamidative Cross-Coupling of Aryl and Alkenyl Amides

KAUST Repository

Srimontree, Watchara

2017-06-05

A nickel-catalyzed deamidative cross-coupling reaction of amides with terminal alkynes as coupling partners was disclosed. This newly developed methodology allows the direct interconversion of amides to alkynes and enables a facile route for C(sp2)-C(sp) bond formation in a straightforward and mild fashion.

48 CFR 1515.404-472 - Other methods.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Other methods. 1515.404-472... METHODS AND CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 1515.404-472 Other methods. (a) Contracting officers may use methods other than those prescribed in 1515.404-470 for establishing profit or...

20 CFR 404.1202 - Definitions.

Science.gov (United States)

2010-04-01

... which usually has specific governmental functions. The term ordinarily includes a county, city, town... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Definitions. 404.1202 Section 404.1202 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950...

Bis(2,2,2-trifluoroethyl) methylphosphonate: An Novel Flame-retardant Additive for Safe Lithium-ion Battery

International Nuclear Information System (INIS)

Zeng, Ziqi; Jiang, Xiaoyu; Wu, Binbing; Xiao, Lifen; Ai, Xinping; Yang, Hanxi; Cao, Yuliang

2014-01-01

Graphical abstract: - Highlights: • PFMP was synthesized as a flame-retardant additive. • The SET value of the electrolyte containing 20% TFMP shows the reduction of 86%. • The 20% TFMP electrolyte exhibits excellent electrochemical compatibility on the anode and cathode. - Abstract: A novel fluorinated alkyl phosphonate - bis(2,2,2-trifluoroethyl) methylphosphonate (TFMP) were synthesized as flame retardant to reduce the flammability of the electrolyte with minimal impact on the electrochemical performance of the electrode. The flammability and electrochemical properties of TFMP with various contents were evaluated using self-extinguishing time (SET), conductivity test, cyclic voltammetry (CV) and glavanostatic charge and discharge test. The experimental results demonstrated that the addition of 20 vol% TFMP can make the electrolyte be hardly flammable, exhibiting high-efficiency flame retardant. Moreover, the 20 vol% TFMP-containing electrolyte also exhibited insignificant influence on graphite anode with high initial capacity of 346 mAh g −1 and excellent capacity retention of 93% over 100 cycles. For LiFePO 4 cathode, the excellent electrochemical performance was observed including gradually increasing reversible capacity from 128 to 139 mAh g −1 over 100 cycles in the 20 vol% TFMP-containing electrolyte. The results imply that TFMP is a promising option as highly flame-retardant and electrochemically compatible electrolyte additive for safe lithium-ion batteries

Characterization studies of 1-(4-cyano-2-oxo-1,2-dihydro-1-pyridyl)-3-(4-cyano-1,2-dihydro-1-pyridyl) propane formed from the reaction of hydroxide Ion with 1,3-Bis-(4-cyano pyridinium)propane

International Nuclear Information System (INIS)

Fiori, Simone; Schuquel, Ivania T.A.; Meyer, Emerson; Hioka, Noboru; Silva, Idelcio N. da; Politi, Mario J.; Catalani, Luiz H.; Chaimovich, Hernan

2011-01-01

The aqueous alkaline reaction of 1,3.bis(4.cyanopyridinium)propane dibromide, a reactant constituted of two pyridinium rings linked by a three.methylene bridge, generates a novel compound, 1-(4-cyano-2-oxo-1,2-dihydro-1-pyridyl)-3-(4-cyano-1,2-dihydro-1-pyridyl) propane. The reaction pathway is attributed to the proximity of the OH. ion inserted between two pyridinium moieties, which occurs only in bis(pyridinium) derivatives connected by short methylene spacers, where charge-conformational effects are important. (author)

20 CFR 404.525 - Suspension of offset.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Suspension of offset. 404.525 Section 404.525 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950....521, the overpaid individual notifies us that he or she is exercising a right described in § 404.522(a...

12 CFR 404.3 - Public reference facilities.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Public reference facilities. 404.3 Section 404.3 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.3 Public reference facilities. Ex-Im Bank...

28 CFR 42.404 - Guidelines.

Science.gov (United States)

2010-07-01

... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Guidelines. 42.404 Section 42.404... Guidelines. (a) Federal agencies shall publish title VI guidelines for each type of program to which they extend financial assistance, where such guidelines would be appropriate to provide detailed information...

Phase space investigation of the lithium amide halides

Energy Technology Data Exchange (ETDEWEB)

Davies, Rosalind A. [Hydrogen Storage Chemistry Group, School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Hydrogen and Fuel Cell Group, School of Chemical Engineering, University of Birmingham, Edgbaston B15 2TT (United Kingdom); Hewett, David R.; Korkiakoski, Emma [Hydrogen Storage Chemistry Group, School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Thompson, Stephen P. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX (United Kingdom); Anderson, Paul A., E-mail: p.a.anderson@bham.ac.uk [Hydrogen Storage Chemistry Group, School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

2015-10-05

Highlights: • The lower limits of halide incorporation in lithium amide have been investigated. • The only amide iodide stoichiometry observed was Li{sub 3}(NH{sub 2}){sub 2}I. • Solid solutions were observed in both the amide chloride and amide bromide systems. • A 46% reduction in chloride content resulted in a new phase: Li{sub 7}(NH{sub 2}){sub 6}Cl. • New low-chloride phase maintained improved H{sub 2} desorption properties of Li{sub 4}(NH{sub 2}){sub 3}Cl. - Abstract: An investigation has been carried out into the lower limits of halide incorporation in lithium amide (LiNH{sub 2}). It was found that the lithium amide iodide Li{sub 3}(NH{sub 2}){sub 2}I was unable to accommodate any variation in stoichiometry. In contrast, some variation in stoichiometry was accommodated in Li{sub 7}(NH{sub 2}){sub 6}Br, as shown by a decrease in unit cell volume when the bromide content was reduced. The amide chloride Li{sub 4}(NH{sub 2}){sub 3}Cl was found to adopt either a rhombohedral or a cubic structure depending on the reaction conditions. Reduction in chloride content generally resulted in a mixture of phases, but a new rhombohedral phase with the stoichiometry Li{sub 7}(NH{sub 2}){sub 6}Cl was observed. In comparison to LiNH{sub 2}, this new low-chloride phase exhibited similar improved hydrogen desorption properties as Li{sub 4}(NH{sub 2}){sub 3}Cl but with a much reduced weight penalty through addition of chloride. Attempts to dope lithium amide with fluoride ions have so far proved unsuccessful.

Metal extraction by amides of carboxylic acids

International Nuclear Information System (INIS)

Skorovarov, D.I.; Chumakova, G.M.; Rusin, L.I.; Ul'anov, V.S.; Sviridova, R.A.; Sviridov, A.L.

1988-01-01

Extraction ability of various amides was studied. Data on extraction of rare earths, vanadium, molybdenum, rhenium, uranium, niobium, tantalum by N,N-dibutyl-amides of acetic, nonanic acids and fatly synthetic acids of C 7 -C 9 fractions are presented. Effect of salting-out agents, inorganic acid concentrations on extraction process was studied. Potential ability of using amides of carboxylic acids for extractional concentration of rare earths as well as for recovery and separation of iron, rhenium, vanadium, molybdenum, uranium, niobium, and tantalum was shown

CNS active ergot alkaloid dihydro derivatives. Tritium labelling and characterization

International Nuclear Information System (INIS)

Egan, J.A.; Nugent, R.P.; Filer, C.N.

2016-01-01

The ergot alkaloids are an important class of medicinally useful substances and this report describes the high specific activity tritium labelling of two dihydro derivatives; namely, dihydroergotamine and dihydrobromocriptine. The former was prepared by the direct tritiation of ergotamine itself. However, efforts to perform an analogous direct tritiation on bromocriptine were unsuccessful and a multistep synthesis was required. (author)

12 CFR 404.5 - Time for processing.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Time for processing. 404.5 Section 404.5 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.5 Time for processing. (a) General. Ex-Im Bank...

12 CFR 404.9 - Schedule of fees.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Schedule of fees. 404.9 Section 404.9 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.9 Schedule of fees. (a) General. Ex-Im Bank shall...

20 CFR 404.801 - Introduction.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Introduction. 404.801 Section 404.801 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950... health insurance program. This subpart tells what is evidence of earnings, how you can find out what the...

36 CFR 404.3 - Organization.

Science.gov (United States)

2010-07-01

... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Organization. 404.3 Section... GUIDELINES FOR COMPLIANCE WITH THE FREEDOM OF INFORMATION ACT § 404.3 Organization. (a) The brief description of the central organization of the American Battle Monuments Commission follows: (1) The Commission...

Amide proton temperature coefficients as hydrogen bond indicators in proteins

International Nuclear Information System (INIS)

Cierpicki, Tomasz; Otlewski, Jacek

2001-01-01

Correlations between amide proton temperature coefficients (Δσ HN /ΔT) and hydrogen bonds were investigated for a data set of 793 amides derived from 14 proteins. For amide protons showing temperature gradients more positive than -4.6 ppb/K there is a hydrogen bond predictivity value exceeding 85%. It increases to over 93% for amides within the range between -4 and -1 ppb/K. Detailed analysis shows an inverse proportionality between amide proton temperature coefficients and hydrogen bond lengths. Furthermore, for hydrogen bonds of similar bond lengths, values of temperature gradients in α-helices are on average 1 ppb/K more negative than in β-sheets. In consequence, a number of amide protons in α-helices involved in hydrogen bonds shorter than 2 A show Δσ HN /ΔT 10 helices and 98% in β-turns have temperature coefficients more positive than -4.6ppb/K. Ring current effect also significantly influences temperature coefficients of amide protons. In seven out of eight cases non-hydrogen bonded amides strongly deshielded by neighboring aromatic rings show temperature coefficients more positive than -2 ppb/K. In general, amide proton temperature gradients do not change with pH unless they correspond to conformational changes. Three examples of pH dependent equilibrium showing hydrogen bond formation at higher pH were found. In conclusion, amide proton temperature coefficients offer an attractive and simple way to confirm existence of hydrogen bonds in NMR determined structures

12 CFR 404.16 - Schedule of fees.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Schedule of fees. 404.16 Section 404.16 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.16 Schedule of fees. (a) Search and review. Ex-Im Bank shall not charge for...

Solvent Exchange Rates of Side-chain Amide Protons in Proteins

International Nuclear Information System (INIS)

Rajagopal, Ponni; Jones, Bryan E.; Klevit, Rachel E.

1998-01-01

Solvent exchange rates and temperature coefficients for Asn/Gln side-chain amide protons have been measured in Escherichia coli HPr. The protons of the eight side-chain amide groups (two Asn and six Gln) exhibit varying exchange rates which are slower than some of the fast exchanging backbone amide protons. Differences in exchange rates of the E and Z protons of the same side-chain amide group are obtained by measuring exchange rates at pH values > 8. An NOE between a side-chain amide proton and a bound water molecule was also observed

38 CFR 3.404 - Parents.

Science.gov (United States)

2010-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Parents. 3.404 Section 3..., Compensation, and Dependency and Indemnity Compensation Effective Dates § 3.404 Parents. Awards of additional amounts of compensation and dependency and indemnity compensation based on a parent's need for aid and...

46 CFR 184.404 - Radars.

Science.gov (United States)

2010-10-01

... within one mile of land must be fitted with a FCC Type Accepted general marine radar system for surface... Federal Communications Commission (FCC) type accepted general marine radar system for surface navigation... 46 Shipping 7 2010-10-01 2010-10-01 false Radars. 184.404 Section 184.404 Shipping COAST GUARD...

48 CFR 9904.404 - Capitalization of tangible assets.

Science.gov (United States)

2010-10-01

... assets. 9904.404 Section 9904.404 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404 Capitalization of tangible assets. ...

Nickel-catalysed retro-hydroamidocarbonylation of aliphatic amides to olefins

Science.gov (United States)

Hu, Jiefeng; Wang, Minyan; Pu, Xinghui; Shi, Zhuangzhi

2017-05-01

Amide and olefins are important synthetic intermediates with complementary reactivity which play a key role in the construction of natural products, pharmaceuticals and manmade materials. Converting the normally highly stable aliphatic amides into olefins directly is a challenging task. Here we show that a Ni/NHC-catalytic system has been established for decarbonylative elimination of aliphatic amides to generate various olefins via C-N and C-C bond cleavage. This study not only overcomes the acyl C-N bond activation in aliphatic amides, but also encompasses distinct chemical advances on a new type of elimination reaction called retro-hydroamidocarbonylation. This transformation shows good functional group compatibility and can serve as a powerful synthetic tool for late-stage olefination of amide groups in complex compounds.

Synthesis of Nitriles via Palladium-Catalyzed Water Shuffling from Amides to Acetonitrile

OpenAIRE

Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji

2014-01-01

Palladium-catalyzed synthesis of nitriles from amides has been described. Two similar, but complementary reaction conditions have been identified to convert various amides including α,β,γ,δ-unsaturated amides, cinnamides, aromatic amides and alkyl amides to the corresponding nitriles in good to excellent yield.

Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.

Science.gov (United States)

Zhang, Wandi; Haskins, Christopher W; Yang, Yang; Dai, Mingji

2014-12-07

Palladium-catalyzed synthesis of nitriles from amides has been described. Two similar, but complementary reaction conditions have been identified to convert various amides including α,β,γ,δ-unsaturated amides, cinnamides, aromatic amides and alkyl amides to the corresponding nitriles in good to excellent yield.

Application of Doubled Haploid (DH) Technique in Mutation and Conventional Wheat Breeding in Kenya

International Nuclear Information System (INIS)

Njau, P.N.

2002-01-01

Wheat is the second most important staple cereal in Kenya after maize.over the last six years wheat improvement for various stresses and agronomic characteristics have been undertaken through various biotechnological approaches which have been used as complements to the traditional breeding methods. The prime objective in any breeding program is the prevention of the debilitating effects of breeding. In self-pollinated crops such as wheat selection is more efficient homozygous lines than in segregating population. During repeated selfing, to develop homozygousity the vigour of the F1 of M1 plats is lost. Application of biotechnology in crop movement has been suggested as the useful tool in a faster variety development. The double haploid (DH) technique does not only shorten the time of developing homozygous lines but also maintains the heterosis of the F 1 , increase the selection of the efficiency of selection in mutants and increase the effectiveness of selection. in this study DHs were developed from F1 and M4 generation developed from drought tolerance.This was accomplished through the following step: (i)F 1 crosses were produced by crossing three drought tolerant varieties namely Kenya Mbweha, Duma and Ngamia with two highly yielding commercial varieties namely Kenya Chiriku and Kwale in 1998 while mutants were developed through gamma ray irradiation in 1995. (ii) The haploids were produced through chromosome elimination by crossing the F 1 s and the M 4 with maize pollen and (iii) the Double Haploid (DH) were produced by treating the haploid with colchicine. Twenty DH lines were produced from F 1 haploid and 5 from M 4 ones. The DH technique tend to increase uniformity, stability and distinctiveness of the mutants and the segregating populations. Most of the DHs showed wide variation indicating high potential of selection for various agronomic characteristics. Heterosis was realized on a number of characteristics in the DH lines. Through this technique the

48 CFR 9904.404-10 - [Reserved

Science.gov (United States)

2010-10-01

... Section 9904.404-10 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-10 [Reserved] ...

2-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)- and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda6-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides as potent and selective peptide deformylase inhibitors.

Science.gov (United States)

Apfel, C; Banner, D W; Bur, D; Dietz, M; Hubschwerlen, C; Locher, H; Marlin, F; Masciadri, R; Pirson, W; Stalder, H

2001-06-07

Potent, selective, and structurally new inhibitors of the Fe(II) enzyme Escherichia coli peptide deformylase (PDF) were obtained by rational optimization of the weakly binding screening hit (5-chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-acetic acid hydrazide (1). Three-dimensional structural information, gathered from Ni-PDF complexed with 1, suggested the preparation of two series of related hydroxamic acid analogues, 2-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamides (A) and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda(6)-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides (B), among which potent PDF inhibitors (37, 42, and 48) were identified. Moreover, two selected compounds, one from each series, 36 and 41, showed good selectivity for PDF over several endoproteases including matrix metalloproteases. However, these compounds showed only weak antibacterial activity.

CHROMIUM(II) AMIDES - SYNTHESIS AND STRUCTURES

NARCIS (Netherlands)

EDEMA, JJH; GAMBAROTTA, S; MEETSMA, A; SPEK, AL; SMEETS, WJJ; CHIANG, MY

1993-01-01

A novel class of mono- and di-meric chromium(II) amides has been prepared and characterized. Reaction of [CrCl2(thf)2] (thf = tetrahydrofuran) with 2 equivalents of M(NR2) (R = C6H11, Pr(i), Ph, or phenothiazinyl; M = Li or Na) allowed the formation of the homoleptic amides [{Cr(mu-NR2)(NR2)}2] (R =

48 CFR 9904.404-50 - Techniques for application.

Science.gov (United States)

2010-10-01

.... 9904.404-50 Section 9904.404-50 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-50 Techniques for application. (a) The cost to...

Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.

Science.gov (United States)

Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal

2016-09-02

Amide N-C(O) bonds are generally unreactive in cross-coupling reactions employing low-valent transition metals due to nN → π*C═O resonance. Herein we demonstrate that N-acyl-tert-butyl-carbamates (Boc) and N-acyl-tosylamides (Ts), two classes of acyclic amides that have recently enabled the development of elusive amide bond N-C cross-coupling reactions with organometallic reagents, are intrinsically twisted around the N-C(O) axis. The data have important implications for the design of new amide cross-coupling reactions with the N-C(O) amide bond cleavage as a key step.

Improved chemical syntheses of 5,6-dihydro-5-fluorouracil.

Science.gov (United States)

LaFrate, Andrew L; Katzenellenbogen, John A

2007-10-26

5,6-dihydro-5-fluorouracil (5-DHFU) is a metabolite of the chemotherapy drug 5-fluorouracil (5-FU) of importance for biological studies. 5-DHFU has been prepared by enzymatic reduction of 5-FU and in very low yield by hydrogenation of 5-FU; however, a practical chemical synthesis is not available. Facile racemic syntheses of 5-DHFU from 5-FU or uracil, using p-methoxybenzyl protecting groups followed by L-Selectride reduction, are reported.

20 CFR 404.640 - Withdrawal of an application.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Withdrawal of an application. 404.640 Section 404.640 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Filing of Applications and Other Forms Withdrawal of Application § 404.640 Withdrawal of...

48 CFR 9904.404-62 - Exemption.

Science.gov (United States)

2010-10-01

... Section 9904.404-62 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-62 Exemption. None for this Standard. ...

Semi-catalytic reduction of secondary amides to imines and aldehydes.

Science.gov (United States)

Lee, Sun-Hwa; Nikonov, Georgii I

2014-06-21

Secondary amides can be reduced by silane HSiMe2Ph into imines and aldehydes by a two-stage process involving prior conversion of amides into iminoyl chlorides followed by catalytic reduction mediated by the ruthenium complex [Cp(i-Pr3P)Ru(NCCH3)2]PF6 (1). Alkyl and aryl amides bearing halogen, ketone, and ester groups were converted with moderate to good yields under mild reaction conditions to the corresponding imines and aldehydes. This procedure does not work for substrates bearing the nitro-group and fails for heteroaromatic amides. In the case of cyano substituted amides, the cyano group is reduced to imine.

A HERSCHEL STUDY OF D/H IN WATER IN THE JUPITER-FAMILY COMET 45P/HONDA-MRKOS-PAJDUŠÁKOVÁ AND PROSPECTS FOR D/H MEASUREMENTS WITH CCAT

International Nuclear Information System (INIS)

Lis, D. C.; Blake, G. A.; Biver, N.; Bockelée-Morvan, D.; Crovisier, J.; Moreno, R.

2013-01-01

We present Herschel observations of water isotopologues in the atmosphere of the Jupiter-family comet 45P/Honda-Mrkos-Pajdušáková. No HDO emission is detected, with a 3σ upper limit of 2.0 × 10 –4 for the D/H ratio. This value is consistent with the earlier Herschel measurement in the Jupiter-family comet 103P/Hartley 2. The canonical value of 3 × 10 –4 measured pre-Herschel in a sample of Oort-cloud comets can be excluded at a 4.5σ level. The observations presented here further confirm that a diversity of D/H ratios exists in the comet population and emphasize the need for additional measurements with future ground-based facilities, such as CCAT, in the post-Herschel era

New and Efficient Synthesis of Amides from Acid Chlorides Using Diisobutyl(amino)aluminum

Energy Technology Data Exchange (ETDEWEB)

Park, Jae Kyo; Shin, Won Kyu; An, Duk Keun [Kangwon National Univ., Chuncheon (Korea, Republic of)

2013-05-15

In conclusion, we have developed a facile, alternative method for the formation of secondary and tertiary amides including morpholine amides from acid chlorides by using diisobutyl(amino)aluminum under mild reaction conditions. The advantages of the present method include the high product yields, simple experimental procedure, short reaction time (10 min), and the fact that an excess amount of amine is not required. This result suggests that our new method can provide an alternative method for the synthesis of useful amides from acid chlorides. Amides are valuable functional groups in biological, agrochemical, and pharmaceutical molecules. Several amides such as Weinreb amides, morpholine amides, and pyrrolidine amides are useful intermediates for the synthesis of aldehydes or ketones. Among them, morpholine amides are a cheap and good substitute for Weinreb amides.

New and Efficient Synthesis of Amides from Acid Chlorides Using Diisobutyl(amino)aluminum

International Nuclear Information System (INIS)

Park, Jae Kyo; Shin, Won Kyu; An, Duk Keun

2013-01-01

In conclusion, we have developed a facile, alternative method for the formation of secondary and tertiary amides including morpholine amides from acid chlorides by using diisobutyl(amino)aluminum under mild reaction conditions. The advantages of the present method include the high product yields, simple experimental procedure, short reaction time (10 min), and the fact that an excess amount of amine is not required. This result suggests that our new method can provide an alternative method for the synthesis of useful amides from acid chlorides. Amides are valuable functional groups in biological, agrochemical, and pharmaceutical molecules. Several amides such as Weinreb amides, morpholine amides, and pyrrolidine amides are useful intermediates for the synthesis of aldehydes or ketones. Among them, morpholine amides are a cheap and good substitute for Weinreb amides

41 CFR 101-27.404 - Review of items.

Science.gov (United States)

2010-07-01

... 41 Public Contracts and Property Management 2 2010-07-01 2010-07-01 true Review of items. 101-27.404 Section 101-27.404 Public Contracts and Property Management Federal Property Management...-Elimination of Items From Inventory § 101-27.404 Review of items. Except for standby or reserve stocks, items...

29 CFR 404.5 - Attorney-client communications exempted.

Science.gov (United States)

2010-07-01

... 29 Labor 2 2010-07-01 2010-07-01 false Attorney-client communications exempted. 404.5 Section 404... LABOR-MANAGEMENT STANDARDS LABOR ORGANIZATION OFFICER AND EMPLOYEE REPORTS § 404.5 Attorney-client... communicated to such attorney by any of his clients in the course of a legitimate attorney-client relationship. ...

48 CFR 9904.404-30 - Definitions.

Science.gov (United States)

2010-10-01

... Section 9904.404-30 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-30 Definitions. (a) The following are definitions of terms...

48 CFR 9904.404.20 - Purpose.

Science.gov (United States)

2010-10-01

... Section 9904.404.20 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404.20 Purpose. This Standard requires that, for purposes of cost...

48 CFR 9904.404-60 - Illustrations.

Science.gov (United States)

2010-10-01

... Section 9904.404-60 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-60 Illustrations. (a) Illustrations of costs which must be...

Discovery of novel N-(5-(arylcarbonyl)thiazol-2-yl)amides and N-(5-(arylcarbonyl)thiophen-2-yl)amides as potent RORγt inhibitors.

Science.gov (United States)

Wang, Yonghui; Cai, Wei; Zhang, Guifeng; Yang, Ting; Liu, Qian; Cheng, Yaobang; Zhou, Ling; Ma, Yingli; Cheng, Ziqiang; Lu, Sijie; Zhao, Yong-Gang; Zhang, Wei; Xiang, Zhijun; Wang, Shuai; Yang, Liuqing; Wu, Qianqian; Orband-Miller, Lisa A; Xu, Yan; Zhang, Jing; Gao, Ruina; Huxdorf, Melanie; Xiang, Jia-Ning; Zhong, Zhong; Elliott, John D; Leung, Stewart; Lin, Xichen

2014-01-15

Novel series of N-(5-(arylcarbonyl)thiazol-2-yl)amides and N-(5-(arylcarbonyl)thiophen-2-yl)amides were discovered as potent retinoic acid receptor-related orphan receptor-gamma-t (RORγt) inhibitors. SAR studies of the RORγt HTS hit 6a led to identification of thiazole ketone amide 8h and thiophene ketone amide 9g with high binding affinity and inhibitory activity of Th17 cell differentiation. Compound 8h showed in vivo efficacy in both mouse experimental autoimmune encephalomyelitis (EAE) and collagen induced arthritis (CIA) models via oral administration. Copyright © 2013 Elsevier Ltd. All rights reserved.

40 CFR 721.10063 - Halo substituted hydroxy nitrophenyl amide (generic).

Science.gov (United States)

2010-07-01

... amide (generic). 721.10063 Section 721.10063 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10063 Halo substituted hydroxy nitrophenyl amide (generic). (a) Chemical... as halo substituted hydroxy nitrophenyl amide (PMN P-04-792) is subject to reporting under this...

Overexpression of yeast ArDH gene in chloroplasts confers salinity tolerance in plants (abstract)

International Nuclear Information System (INIS)

Khan, M.S.; Kanwal, B.; Khalid, A.M.; Zafar, Y.; Malik, K.A.

2005-01-01

Water stress due to salinity and drought is the main limiting factor for plant growth, productivity and quality. A common response to water deficit is the accumulation of osmoprotectants such as sugars and amino acids. In yeast, arabitol dehydrogenase is found responsible for the production of arabitol from ribulose-5-phosphate. All plants synthesize ribulose-5-phosphate via pentose pathway in chloroplasts.. Therefore, osmotolerance of the plants could be enhanced through metabolic engineering of chloroplasts by introducing ArDH gene into the plastome, which is responsible for the conversion of ribulose-5- phosphate to arabitol. Here we report high-level expression of arabitol dehydrogenase (ArDH) in chloroplasts. Homoplasmic transgenic plants were recovered on spectinomycin-containing regeneration medium. Transformed tobacco plants survived whereas non-transformed were severely stressed or killed when two weeks old seedlings were exposed to NaCl (up to 400 mM), suggesting a role for arabitol in salt tolerance. Seedlings survived up to five weeks on medium containing high salt concentrations (350-400 mM). Nevertheless, seedlings remained green and grew normal on concentrations up to 350 mM NaCl for several weeks. Hypothesis that membranes are protected under stress conditions due to the arabitol accumulation in chloroplasts, seedlings were grown in liquid medium containing polyethylene glycol (PEG, up to 6%). Seedlings were tolerant to 6% PEG, suggesting that ArDH enzyme protects membranes integrity under stress. Therefore, it is concluded that ArDH gene could be expressed in crop plants to withstand abiotic stresses. (author)

48 CFR 215.404-76 - Reporting profit and fee statistics.

Science.gov (United States)

2010-10-01

... statistics. 215.404-76 Section 215.404-76 Federal Acquisition Regulations System DEFENSE ACQUISITION... Contract Pricing 215.404-76 Reporting profit and fee statistics. Follow the procedures at PGI 215.404-76 for reporting profit and fee statistics. [71 FR 69494, Dec. 1, 2006] ...

Experimental and computational thermochemistry of 6,7-dihydro-4(5H)-benzofuranone

International Nuclear Information System (INIS)

Sousa, Clara C.S.; Morais, Victor M.F.; Matos, M. Agostinha R.

2013-01-01

Highlights: ► Standard molar enthalpy of formation of 6,7-dihydro-4(5H)-benzofuranone was obtain. ► Computational estimative of the standard molar enthalpy of formation. ► Computational and experimental values agree. ► Estimates of the standard molar enthalpy of formation of the isomers were obtain. - Abstract: The standard (p = 0.1 MPa) molar enthalpy of formation of 6,7-dihydro-4(5H)-benzofuranone was measured, at T = 298.15 K, by static bomb calorimetry and the standard molar enthalpy of vaporization, at T = 298.15 K, was obtained using Calvet microcalorimetry. These values were combined together to derive the standard molar enthalpy of formation of the title compound in gaseous phase, at T = 298.15 K, −(226.0 ± 2.8) kJ · mol −1 . Additionally, density functional theoretical calculations using the B3LYP hybrid exchange-correlation energy functional with extended basis sets and also other higher-level ab initio quantum calculations have been performed.

12 CFR 404.10 - Fee waivers or reductions.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Fee waivers or reductions. 404.10 Section 404.10 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.10 Fee waivers or reductions. (a) General...

Friedel-Crafts Acylation with Amides

Science.gov (United States)

Raja, Erum K.; DeSchepper, Daniel J.; Nilsson Lill, Sten O.; Klumpp, Douglas A.

2012-01-01

Friedel-Crafts acylation has been known since the 1870s and it is an important organic synthetic reaction leading to aromatic ketone products. Friedel-Crafts acylation is usually done with carboxylic acid chlorides or anhydrides while amides are generally not useful substrates in these reactions. Despite being the least reactive carboxylic acid derivative, we have found a series of amides capable of providing aromatic ketones in good yields (55–96%, 17 examples). We propose a mechanism involving diminished C-N resonance through superelectrophilic activation and subsequent cleavage to acyl cations. PMID:22690740

Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.

Science.gov (United States)

Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G W; Yan, Yong; Parker, Stewart F; Manuel, Pascal; Lennox, Matthew J; Mitra, Tamoghna; Easun, Timothy L; Lewis, William; Blake, Alexander J; Besley, Elena; Yang, Sihai; Schröder, Martin

2016-11-16

An amide-functionalized metal organic framework (MOF) material, MFM-136, shows a high CO 2 uptake of 12.6 mmol g -1 at 20 bar and 298 K. MFM-136 is the first example of an acylamide pyrimidyl isophthalate MOF without open metal sites and, thus, provides a unique platform to study guest binding, particularly the role of free amides. Neutron diffraction reveals that, surprisingly, there is no direct binding between the adsorbed CO 2 /CH 4 molecules and the pendant amide group in the pore. This observation has been confirmed unambiguously by inelastic neutron spectroscopy. This suggests that introduction of functional groups solely may not necessarily induce specific guest-host binding in porous materials, but it is a combination of pore size, geometry, and functional group that leads to enhanced gas adsorption properties.

Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate.

Science.gov (United States)

Rao, Guo-Wu; Hu, Wei-Xiao

2003-05-01

The title compound, C(22)H(24)N(4)O(4), was prepared from propyl chloroformate and 3,6-diphenyl-1,2-dihydro-s-tetrazine. This reaction yields the title compound rather than dipropyl 3,6-diphenyl-1,4-dihydro-s-tetrazine-1,4-dicarboxylate. The 2,3-diazabutadiene group in the central six-membered ring is not planar; the C=N double-bond length is 1.285 (2) A, and the average N-N single-bond length is 1.401 (3) A, indicating a lack of conjugation. The ring has a twist conformation, in which adjacent N atoms lie +/- 0.3268 (17) A from the plane of the ring. The molecule has twofold crystallographic symmetry.

An assessment of the present and future opportunities for combined heat and power with district heating (CHP-DH) in the United Kingdom

International Nuclear Information System (INIS)

Kelly, Scott; Pollitt, Michael

2010-01-01

As global fuel reserves are depleted, alternative and more efficient forms of energy generation and delivery will be required. Combined heat and power with district heating (CHP-DH) provides an alternative energy production and delivery mechanism that is less resource intensive, more efficient and provides greater energy security than many popular alternatives. It will be shown that the economic viability of CHP-DH networks depends on several principles, namely (1) the optimisation of engineering and design principles; (2) organisational and regulatory frameworks; (3) financial and economic factors. It was found that in the long term DH is competitive with other energy supply and distribution technologies such as electricity and gas. However, in the short to medium term it is shown that economic risk, regulatory uncertainty and lock-in of existing technology are the most significant barriers to CHP-DH development. This research suggests that under the present regulatory and economic paradigm, the infrastructure required for DH networks remains financially prohibitive; the implementation of government policies are complicated and impose high transaction costs, while engineering solutions are frequently not implemented or economically optimised. If CHP-DH is going to play any part in meeting climate change targets then collaboration between public and private organisations will be required. It is clear from this analysis that strong local government involvement is therefore necessary for the co-ordination, leadership and infrastructural deployment of CHP-DH.

48 CFR 704.404 - Contract clause.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Contract clause. 704.404... ADMINISTRATIVE MATTERS Safeguarding Classified Information Within Industry 704.404 Contract clause. If the contract involves access to classified (“Confidential”, “Secret”, or “Top Secret”), or administratively...

Biosynthesis and function of simple amides in Xenorhabdus doucetiae.

Science.gov (United States)

Bode, Edna; He, Yue; Vo, Tien Duy; Schultz, Roland; Kaiser, Marcel; Bode, Helge B

2017-11-01

Xenorhabdus doucetiae, the bacterial symbiont of the entomopathogenic nematode Steinernema diaprepesi produces several different fatty acid amides. Their biosynthesis has been studied using a combination of analysis of gene deletions and promoter exchanges in X. doucetiae and heterologous expression of candidate genes in E. coli. While a decarboxylase is required for the formation of all observed phenylethylamides and tryptamides, the acyltransferase XrdE encoded in the xenorhabdin biosynthesis gene cluster is responsible for the formation of short chain acyl amides. Additionally, new, long-chain and cytotoxic acyl amides were identified in X. doucetiae infected insects and when X. doucetiae was grown in Galleria Instant Broth (GIB). When the bioactivity of selected amides was tested, a quorum sensing modulating activity was observed for the short chain acyl amides against the two different quorum sensing systems from Chromobacterium and Janthinobacterium. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

12 CFR 404.23 - Other rights and services.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Other rights and services. 404.23 Section 404.23 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.23 Other rights and services. Nothing in this subpart shall be...

20 CFR 404.939 - Objections to the issues.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Objections to the issues. 404.939 Section 404... Decisions Hearing Before An Administrative Law Judge § 404.939 Objections to the issues. If you object to the issues to be decided upon at the hearing, you must notify the administrative law judge in writing...

40 CFR 721.720 - Alkoxylated fatty acid amide, alkylsulfate salt.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkoxylated fatty acid amide... Specific Chemical Substances § 721.720 Alkoxylated fatty acid amide, alkylsulfate salt. (a) Chemical... as an alkoxylated fatty acid amide, alkylsulfate salt (PMN P-97-136) is subject to reporting under...

40 CFR 721.10191 - Amides, coco, N-[3-(dibutylamino)propyl].

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amides, coco, N-[3-(dibutylamino... Specific Chemical Substances § 721.10191 Amides, coco, N-[3-(dibutylamino)propyl]. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amides, coco...

Selective Formation of Secondary Amides via the Copper-Catalyzed Cross-Coupling of Alkylboronic Acids with Primary Amides

Science.gov (United States)

Rossi, Steven A.; Shimkin, Kirk W.; Xu, Qun; Mori-Quiroz, Luis M.; Watson, Donald A.

2014-01-01

For the first time, a general catalytic procedure for the cross coupling of primary amides and alkylboronic acids is demonstrated. The key to the success of this reaction was the identification of a mild base (NaOSiMe3) and oxidant (di-tert-butyl peroxide) to promote the copper-catalyzed reaction in high yield. This transformation provides a facile, high-yielding method for the mono-alkylation of amides. PMID:23611591

7 CFR 28.404 - Strict Low Middling Color.

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2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Strict Low Middling Color. 28.404 Section 28.404... for the Color Grade of American Upland Cotton § 28.404 Strict Low Middling Color. Strict Low Middling Color is color which is within the range represented by a set of samples in the custody of the United...

Synthesis, Central Nervous System Activity and Structure-Activity Relationships of Novel 1-(1-Alkyl-4-aryl-4,5-dihydro-1H-imidazo-3-substituted Urea Derivatives

Directory of Open Access Journals (Sweden)

Elżbieta Szacoń

2015-02-01

Full Text Available A series of 10 novel urea derivatives has been synthesized and evaluated for their central nervous system activity. Compounds 3a–3h were prepared in the reaction between the respective 1-alkyl-4-aryl-4,5-dihydro-1H-imidazol-2-amines 1a and 1b and appropriate benzyl-, phenethyl-isocyanate or ethyl 4-isocyanatobenzoate and ethyl isocyanatoacetate 2 in dichloromethane. Derivatives 4c and 4g resulted from the conversion of 3c and 3g into the respective amides due to action of an aqueous ammonia solution. The results obtained in this study, based on literature data suggest a possible involvement of serotonin system and/or the opioid system in the effects of tested compounds, and especially in the effect of compound 3h. The best activity of compound 3h may be primarily attributed to its favourable ADMET properties, i.e., higher lipophilicity (related to lower polar surface area and greater molecular surface, volume and mass than for other compounds and good blood-brain permeation. This compound has also the greatest polarizability and ovality. The HOMO and LUMO energies do not seem to be directly related to activity.

48 CFR 811.404 - Contract clause.

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2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Contract clause. 811.404... ACQUISITION PLANNING DESCRIBING AGENCY NEEDS Delivery or Performance Schedules 811.404 Contract clause. When delivery is required by or on a particular date for f.o.b. destination contracts, the contracting officer...

5 CFR 900.404 - Discrimination prohibited.

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2010-01-01

... 5 Administrative Personnel 2 2010-01-01 2010-01-01 false Discrimination prohibited. 900.404... § 900.404 Discrimination prohibited. (a) General. A person in the United States shall not, on the ground... be otherwise subjected to discrimination under, a program to which this subpart applies. (b) Specific...

9-Hydroxyprostaglandin dehydrogenase in rat kidney cortex converts prostaglandin I2 into 15-keto-13,14-dihydro 6-ketoprostaglandin E1.

Science.gov (United States)

Pace-Asciak, C R; Domazet, Z

1984-11-14

15-Keto-13,14-dihydro 6-ketoprostaglandin E1 was positively identified by gas chromatography-mass spectrometry with negative-ion chemical ionisation detection from samples of rat kidney high-speed supernatant incubated with prostaglandin I2 in the presence of NAD+. A decreased formation of this product was observed when NAD+ was substituted with NADP+ and none was observed in the absence of nucleotide or substrate prostaglandin I2. Experiments with [9 beta-3H]prostaglandin I2 showed a time- and concentration-dependent loss of tritium which appeared as tritiated water, typical of reaction of [9 beta-3H]prostaglandin substrates with the enzyme, 9-hydroxyprostaglandin dehydrogenase. Time-course measurements of the appearance of tritiated water showed similar rates with 6-keto[9 beta-3H]prostaglandin F1 alpha and 15-keto-13,14-dihydro 6-keto[9 beta-3H]prostaglandin F1 alpha as substrates. These experiments suggest that the transformation of prostaglandin I2 and 6-ketoprostaglandin F1 alpha into the 15-keto-13,14-dihydro 6-ketoprostaglandin E1 catabolite occurs in this in vitro preparation via the corresponding 15-keto-13,14-dihydro catabolite of 6-ketoprostaglandin F1 alpha.

Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol

Directory of Open Access Journals (Sweden)

Hailiang Zhao

2016-12-01

Full Text Available Amides are important atmospheric organic–nitrogen compounds. Hydrogen bonded complexes of methanol (MeOH with amides (formamide, N-methylformamide, N,N-dimethylformamide, acetamide, N-methylacetamide and N,N-dimethylacetamide have been investigated. The carbonyl oxygen of the amides behaves as a hydrogen bond acceptor and the NH group of the amides acts as a hydrogen bond donor. The dominant hydrogen bonding interaction occurs between the carbonyl oxygen and the OH group of methanol as well as the interaction between the NH group of amides and the oxygen of methanol. However, the hydrogen bonds between the CH group and the carbonyl oxygen or the oxygen of methanol are also important for the overall stability of the complexes. Comparable red shifts of the C=O, NH- and OH-stretching transitions were found in these MeOH–amide complexes with considerable intensity enhancement. Topological analysis shows that the electron density at the bond critical points of the complexes fall in the range of hydrogen bonding criteria, and the Laplacian of charge density of the O–H∙∙∙O hydrogen bond slightly exceeds the upper value of the Laplacian criteria. The energy decomposition analysis further suggests that the hydrogen bonding interaction energies can be mainly attributed to the electrostatic, exchange and dispersion components.

Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol.

Science.gov (United States)

Zhao, Hailiang; Tang, Shanshan; Xu, Xiang; Du, Lin

2016-12-30

Amides are important atmospheric organic-nitrogen compounds. Hydrogen bonded complexes of methanol (MeOH) with amides (formamide, N -methylformamide, N , N -dimethylformamide, acetamide, N -methylacetamide and N , N -dimethylacetamide) have been investigated. The carbonyl oxygen of the amides behaves as a hydrogen bond acceptor and the NH group of the amides acts as a hydrogen bond donor. The dominant hydrogen bonding interaction occurs between the carbonyl oxygen and the OH group of methanol as well as the interaction between the NH group of amides and the oxygen of methanol. However, the hydrogen bonds between the CH group and the carbonyl oxygen or the oxygen of methanol are also important for the overall stability of the complexes. Comparable red shifts of the C=O, NH- and OH-stretching transitions were found in these MeOH-amide complexes with considerable intensity enhancement. Topological analysis shows that the electron density at the bond critical points of the complexes fall in the range of hydrogen bonding criteria, and the Laplacian of charge density of the O-H∙∙∙O hydrogen bond slightly exceeds the upper value of the Laplacian criteria. The energy decomposition analysis further suggests that the hydrogen bonding interaction energies can be mainly attributed to the electrostatic, exchange and dispersion components.

A massive hydrogen-rich Martian greenhouse recorded in D/H

Science.gov (United States)

Pahlevan, K.; Schaefer, L. K.; Desch, S. J.; Elkins-Tanton, L. T.

2017-12-01

The deuterium-to-hydrogen (D/H) ratio in Martian atmospheric water ( 6x standard mean ocean water, SMOW) [1,2] is higher than that of known sources [3,4] alluding to a planetary enrichment process. A recent measurement by the Curiosity rover of Hesperian clays yields a D/H value 3x higher than SMOW [5], demonstrating that most enrichment occurred early in planetary history, buttressing the conclusions of Martian meteorite studies [6,7]. Extant models of the isotopic evolution of the Martian hydrosphere have not incorporated primordial H2, despite its likely abundance on early Mars. Here, we report the first 1D climate calculations with an atmospheric composition determined via degassing from a reducing magma ocean to study Martian climate during an early water ocean stage. A reducing Martian magma ocean is expected based on experimental petrology [8], the degassing of which gives rise to an H2-rich steam atmosphere [9] with strong attendant greenhouse warming [10,11] even after the removal of steam via condensation. At the pressures and temperatures prevailing in such a degassed greenhouse, we find that isotopic exchange in the fluid envelope is rapid, strongly concentrating deuterium in water molecules over molecular hydrogen [12]. The subsequent loss of the isotopically light H2-rich atmosphere results in a 2x D/H enrichment in the oceans via isotopic equilibration alone. These calculations suggest that most of the D/H enrichment observed in the first billion years of Martian history is produced by the evolution of a massive ( 100 bar) H2-rich greenhouse in the aftermath of magma ocean crystallization. The proposed link between early planetary process and modern isotopic observable opens a new window into the earliest history of Mars. [1] Owen, T. et al. Science 240, 1767-1770 (1988). [2] Webster, C. R. et al. Science 341, 260-263 (2013). [3] Lunine, J. I. et al. Icarus 165, 1-8, (2003). [4] Marty, B. et al. EPSL 441, 91-102, (2016). [5] Mahaffy, P. et al

20 CFR 404.2109 - Responsibility for making payment decisions.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Responsibility for making payment decisions. 404.2109 Section 404.2109 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE... Provisions § 404.2109 Responsibility for making payment decisions. The Commissioner will decide— (a) Whether...

Synthesis of Secondary Aromatic Amides via Pd-Catalyzed Aminocarbonylation of Aryl Halides Using Carbamoylsilane as an Amide Source.

Science.gov (United States)

Tong, Wenting; Cao, Pei; Liu, Yanhong; Chen, Jianxin

2017-11-03

Using N-methoxymethyl-N-organylcarbamoyl(trimethyl)silanes as secondary amides source, the direct transformation of aryl halides into the corresponding secondary aromatic amides via palladium-catalyzed aminocarbonylation is described. The reactions tolerated a broad range of functional groups on the aryl ring except big steric hindrance of substituent. The types and the relative position of substituents on the aryl ring impact the coupling efficiency.

Enzymatically and reductively degradable α-amino acid-based poly(ester amide)s: Synthesis, cell compatibility, and intracellular anticancer drug delivery

NARCIS (Netherlands)

Sun, H.; Cheng, Ru; Deng, Chao; Meng, Fenghua; Dias, Aylvin A.; Hendriks, Marc; Feijen, Jan; Zhong, Zhiyuan

2015-01-01

A novel and versatile family of enzymatically and reductively degradable α-amino acid-based poly(ester amide)s (SS-PEAs) were developed from solution polycondensation of disulfide-containing di-p-toluenesulfonic acid salts of bis-l-phenylalanine diesters (SS-Phe-2TsOH) with di-p-nitrophenyl adipate

Synthesis of amide isosteres of schweinfurthin-based stilbenes.

Science.gov (United States)

Stockdale, David P; Beutler, John A; Wiemer, David F

2017-10-15

The schweinfurthins are plant-derived stilbenes with an intriguing profile of anti-cancer activity. To obtain analogues of the schweinfurthins that might preserve the biological activity but have greater water solubility, a formal replacement of the central olefin with an amide has been explored. Two pairs of amides have been prepared, each containing the same hexahydroxanthene "left half" joined through an amide linkage to two different "right halves." In each series, the amide has been inserted in both possible orientations, placing the carbonyl group on the tricyclic ABC ring system and the amine on the D-ring, or placing the amine on the hexahydroxanthene and the carbonyl group on the D-ring. The four new schweinfurthin analogues have been tested in the NCI 60 cell line screen, and in both cases the more active isomer carried the carbonyl group on the C-ring. Copyright © 2017 Elsevier Ltd. All rights reserved.

Metabolism of amino acid amides in Pseudomonas putida ATCC 12633

NARCIS (Netherlands)

Hermes, H.F.M.; Croes, L.M.; Peeters, W.P.H.; Peters, P.J.H.; Dijkhuizen, L.

1993-01-01

The metabolism of the natural amino acid L-valine, the unnatural amino acids D-valine, and D-, L-phenylglycine (D-, L-PG), and the unnatural amino acid amides D-, L-phenylglycine amide (D, L-PG-NH2) and L-valine amide (L-Val-NH2) was studied in Pseudomonas putida ATCC 12633. The organism possessed

cDNA cloning and sequence determination of the pheromone biosynthesis activating neuropeptide from the seabuckthorn carpenterworm, Holcocerus hippophaecolus (Lepidoptera: Cossidae).

Science.gov (United States)

Li, Juan; Zhou, Jiao; Sun, Rongbo; Zhang, Haolin; Zong, Shixiang; Luo, Youqing; Sheng, Xia; Weng, Qiang

2013-04-01

The PBAN (pheromone biosynthesis activating neuropeptide)/pyrokinin peptides comprise a major neuropeptide family characterized by a common FXPRL amide at the C-terminus. These peptides are actively involved in many essential endocrine functions. For the first time, we reported the cDNA cloning and sequence determination of the PBAN from the seabuckthorn carpenterworm, Holcocerus hippophaecolus, by using rapid amplification of cDNA ends. The full-length cDNA of Hh-DH-PBAN contained five peptides: diapause hormone (DH) homolog, α-neuropeptide (NP), β-NP, PBAN, and γ-NP. All of the peptides were amidated at their C-terminus and shared a conserved motif, FXPR (or K) L. Moreover, Hh-DH-PBAN had high homology to the other members of the PBAN peptide family: 56% with Manduca sexta, 66% with Bombyx mori, 77% with Helicoverpa zea, and 47% with Plutella xylostella. Phylogenetic analysis revealed that Hh-DH-PBAN was closely related to PBANs from Noctuidae, demonstrated by the relatively higher similarity compared with H. zea. In addition, real-time quantitative PCR (qRT-PCR) analysis showed that Hh-DH-PBAN mRNA expression peaked in the brain-subesophageal ganglion (Br-SOG) complex, and was also detected at high levels during larval and adult stages. The expression decreased significantly after pupation. These results provided information concerning molecular structure characteristics of Hh-DH-PBAN, whose expression profile suggested that the Hh-DH-PBAN gene might be correlated with larval development and sex pheromone biosynthesis in females of the H. hippophaecolus. 2013 Wiley Periodicals, Inc

Amide temperature coefficients in the protein G B1 domain

International Nuclear Information System (INIS)

Tomlinson, Jennifer H.; Williamson, Mike P.

2012-01-01

Temperature coefficients have been measured for backbone amide 1 H and 15 N nuclei in the B1 domain of protein G (GB1), using temperatures in the range 283–313 K, and pH values from 2.0 to 9.0. Many nuclei display pH-dependent coefficients, which were fitted to one or two pK a values. 1 H coefficients showed the expected behaviour, in that hydrogen-bonded amides have less negative values, but for those amides involved in strong hydrogen bonds in regular secondary structure there is a negative correlation between strength of hydrogen bond and size of temperature coefficient. The best correlation to temperature coefficient is with secondary shift, indicative of a very approximately uniform thermal expansion. The largest pH-dependent changes in coefficient are for amides in loops adjacent to sidechain hydrogen bonds rather than the amides involved directly in hydrogen bonds, indicating that the biggest determinant of the temperature coefficient is temperature-dependent loss of structure, not hydrogen bonding. Amide 15 N coefficients have no clear relationship with structure.

A Convenient Approach to Synthesizing Peptide C-Terminal N-Alkyl Amides

Science.gov (United States)

Fang, Wei-Jie; Yakovleva, Tatyana; Aldrich, Jane V.

2014-01-01

Peptide C-terminal N-alkyl amides have gained more attention over the past decade due to their biological properties, including improved pharmacokinetic and pharmacodynamic profiles. However, the synthesis of this type of peptide on solid phase by current available methods can be challenging. Here we report a convenient method to synthesize peptide C-terminal N-alkyl amides using the well-known Fukuyama N-alkylation reaction on a standard resin commonly used for the synthesis of peptide C-terminal primary amides, the PAL-PEG-PS (Peptide Amide Linker-polyethylene glycol-polystyrene) resin. The alkylation and oNBS deprotection were conducted under basic conditions and were therefore compatible with this acid labile resin. The alkylation reaction was very efficient on this resin with a number of different alkyl iodides or bromides, and the synthesis of model enkephalin N-alkyl amide analogs using this method gave consistently high yields and purities, demonstrating the applicability of this methodology. The synthesis of N-alkyl amides was more difficult on a Rink amide resin, especially the coupling of the first amino acid to the N-alkyl amine, resulting in lower yields for loading the first amino acid onto the resin. This method can be widely applied in the synthesis of peptide N-alkyl amides. PMID:22252422

Synthesis of 3H-3-azido-salicyl-N-(n-decyl) amide

International Nuclear Information System (INIS)

Lu Bin; Xu Jianxing; Chen Shizhi

2000-01-01

A novel method for the synthesis of molecular probe of ubiquinone-binding protein is described. With 3-nitrosalicylic acid and decylamine as initial compounds and under the existence of DCC, the 3-nitro-salicyl-N-(n-decyl)amide is synthesized at room temperature. Then, 3-nitro-salicyl-N-(n-decyl)amide is reduced by hydrogen with 5 % Pd/C as catalyst to form 3-amino-salicyl-N-(n-decyl)amide which is exchanged with tritium to be 3 H-3-amino-salicyl-N-(n-decyl)amide. At the temperature below 5 degree C, 3 H-3-amino-salicyl-N-(n-decyl)amide reacts with NaNO 2 and HCl, and the 3-diazo-salicyl-N-(n-decyl)amide is formed in an ice salt bath. As soon as the reaction is completed, NaN 3 is added to the mixture and stirred for 3 h at the temperature between 0 - 5 degree C and in the dark, the molecular probe of studying ubiquinone-binding protein, i. e., 3 H-3-azido-salicyl-N-(n-decyl)amide is produced

20 CFR 404.1015 - Family services.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Family services. 404.1015 Section 404.1015... Family services. (a) General. If you work as an employee of a relative, the work is excluded from... section, and work for a partnership is not excluded unless the required family relationship exists between...

48 CFR 215.404-4 - Profit.

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2010-10-01

... prenegotiation profit or fee objective on any negotiated contract action when cost or pricing data is obtained, except for cost-plus-award-fee contracts (see 215.404-74, 216.405-2, and FAR 16.405-2) or contracts with... DEFENSE CONTRACTING METHODS AND CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 215.404-4...

20 CFR 404.1029 - Student nurses.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Student nurses. 404.1029 Section 404.1029... Student nurses. If you are a student nurse, your work for a hospital or nurses training school is excluded from employment if you are enrolled and regularly attending classes in a nurses training school which...

26 CFR 1.404(a)-4 - Pension and annuity plans; limitations under section 404(a)(1)(A).

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2010-04-01

... 26 Internal Revenue 5 2010-04-01 2010-04-01 false Pension and annuity plans; limitations under... OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES Pension, Profit-Sharing, Stock Bonus Plans, Etc. § 1.404(a)-4 Pension and annuity plans; limitations under section 404(a)(1)(A). (a) Subject...

26 CFR 1.404(a)-5 - Pension and annuity plans; limitations under section 404(a)(1)(B).

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 5 2010-04-01 2010-04-01 false Pension and annuity plans; limitations under... OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES Pension, Profit-Sharing, Stock Bonus Plans, Etc. § 1.404(a)-5 Pension and annuity plans; limitations under section 404(a)(1)(B). (a) Subject...

26 CFR 1.404(a)-6 - Pension and annuity plans; limitations under section 404(a)(1)(C).

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 5 2010-04-01 2010-04-01 false Pension and annuity plans; limitations under... OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES Pension, Profit-Sharing, Stock Bonus Plans, Etc. § 1.404(a)-6 Pension and annuity plans; limitations under section 404(a)(1)(C). (a...

48 CFR 1323.404-70 - DOC affirmative procurement program.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false DOC affirmative procurement program. 1323.404-70 Section 1323.404-70 Federal Acquisition Regulations System DEPARTMENT OF..., OCCUPATIONAL SAFETY, AND DRUG-FREE WORKPLACE Use of Recovered Materials 1323.404-70 DOC affirmative procurement...

Reduction of peak plantar pressure in people with diabetes-related peripheral neuropathy: an evaluation of the DH Pressure Relief Shoe™

Directory of Open Access Journals (Sweden)

Raspovic Anita

2012-10-01

Full Text Available Abstract Background Offloading plantar pressure is a key strategy for the prevention or healing of neuropathic plantar ulcers in diabetes. Non-removable walking casts, such as total contact casts, are currently considered the gold-standard for offloading this type of wound. However, alternative methods for offloading that are more cost effective and easier to use are continually being sought. The aim of this study was to evaluate the capacity of the DH Pressure Relief Shoe™ to offload high pressure areas under the neuropathic foot in diabetes. Methods A within-subjects, repeated measures design was used. Sixteen participants with diabetic peripheral neuropathy were recruited and three footwear conditions were evaluated in a randomised order: a canvas shoe (the control, the participants’ own standard shoe, and the DH Pressure Relief Shoe™. The primary outcome was peak plantar pressure, measured using the pedar-X® mobile in-shoe system between the three conditions. Results Data analysis was conducted on 14 out of the 16 participants because two participants could not complete data collection. The mean peak pressure values in kPa (±SD for each condition were: control shoe 315.9 (±140.7, participants’ standard shoe 273.0 (±127.1 and DH Pressure Relief Shoe™ 155.4 (±89.9. There was a statistically significant difference in peak plantar pressure between the DH Pressure Relief Shoe™ compared to both the control shoe (p = 0.002 and participants’ standard shoe (p = 0.001. The DH Pressure Relief Shoe™ decreased plantar pressures by 51% compared to the control shoe and by 43% compared to participants’ standard shoe. Importantly, for a couple of study participants, the DH Pressure Relief Shoe™ appeared unsuitable for day-to-day wearing. Conclusions The DH Pressure Relief Shoe™ reduced plantar pressures more than the other two shoe conditions. The DH Pressure Relief Shoe™ may be a useful alternative to current offloading

13 CFR 134.404 - Decision by Administrative Law Judge.

Science.gov (United States)

2010-01-01

... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Decision by Administrative Law Judge. 134.404 Section 134.404 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION RULES OF... 8(a) Program § 134.404 Decision by Administrative Law Judge. Appeal proceedings brought under this...

20 CFR 404.1613 - Disability determinations the State makes.

Science.gov (United States)

2010-04-01

.... 404.1613 Section 404.1613 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE... § 404.1503(d)(1). (b) New classes of cases. Where any new class or classes of cases arise requiring...) Temporary transfer of classes of cases. We will make disability determinations for classes of cases...

Electrochemical reduction of nitrate in the presence of an amide

Science.gov (United States)

Dziewinski, Jacek J.; Marczak, Stanislaw

2002-01-01

The electrochemical reduction of nitrates in aqueous solutions thereof in the presence of amides to gaseous nitrogen (N.sub.2) is described. Generally, electrochemical reduction of NO.sub.3 proceeds stepwise, from NO.sub.3 to N.sub.2, and subsequently in several consecutive steps to ammonia (NH.sub.3) as a final product. Addition of at least one amide to the solution being electrolyzed suppresses ammonia generation, since suitable amides react with NO.sub.2 to generate N.sub.2. This permits nitrate reduction to gaseous nitrogen to proceed by electrolysis. Suitable amides include urea, sulfamic acid, formamide, and acetamide.

A Herschel Study of D/H in Water in the Jupiter-family Comet 45P/Honda-Mrkos-Pajdušáková and Prospects for D/H Measurements with CCAT

Science.gov (United States)

Lis, D. C.; Biver, N.; Bockelée-Morvan, D.; Hartogh, P.; Bergin, E. A.; Blake, G. A.; Crovisier, J.; de Val-Borro, M.; Jehin, E.; Küppers, M.; Manfroid, J.; Moreno, R.; Rengel, M.; Szutowicz, S.

2013-09-01

We present Herschel observations of water isotopologues in the atmosphere of the Jupiter-family comet 45P/Honda-Mrkos-Pajdušáková. No HDO emission is detected, with a 3σ upper limit of 2.0 × 10-4 for the D/H ratio. This value is consistent with the earlier Herschel measurement in the Jupiter-family comet 103P/Hartley 2. The canonical value of 3 × 10-4 measured pre-Herschel in a sample of Oort-cloud comets can be excluded at a 4.5σ level. The observations presented here further confirm that a diversity of D/H ratios exists in the comet population and emphasize the need for additional measurements with future ground-based facilities, such as CCAT, in the post-Herschel era.

20 CFR 404.1006 - Corporation officer.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Corporation officer. 404.1006 Section 404... Corporation officer. If you are an officer of a corporation, you are an employee of the corporation if you are... director of a corporation, we consider you to be self-employed when you work as a director. ...

10 CFR 434.404 - Building service systems and equipment.

Science.gov (United States)

2010-01-01

... requirements require 24-hour pump operation. 404.5.2Heated swimming pools shall be equipped with pool covers... 10 Energy 3 2010-01-01 2010-01-01 false Building service systems and equipment. 434.404 Section 434.404 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CODE FOR NEW FEDERAL COMMERCIAL AND...

Assessment of the thermodynamic properties of poly(2,2,2-trifluoroethyl methacrylate) by inverse gas chromatography.

Science.gov (United States)

Papadopoulou, Stella K; Panayiotou, Costas

2014-01-10

The thermodynamic properties of poly(2,2,2-trifluoroethyl methacrylate) (PTFEMA) were determined by the aid of the inverse gas chromatography technique (IGC), at infinite dilution. The interactions between the polymer and 15 solvents were examined in the temperature range of 120-150 °C via the estimation of the thermodynamic sorption parameters, the parameters of mixing at infinite dilution, the weight fraction activity coefficients and the Flory-Huggins interaction parameters. Additionally, the total and the partial solubility parameters of PTFEMA were estimated. The findings of this work indicate that the type and strength of the intermolecular interactions between the polymer and the solvents are strongly depended on the functional groups of the polymer and the solvents. The proton acceptor character of the polymer is responsible for the preferential solubility of PTFEMA in chloroform which acts as a proton donor solvent. The results also reveal that the polymer is insoluble in alkanes and alcohols whereas it presents good miscibility with polar solvents, especially with 2-butanone, 2-pentanone and 1,4-dioxane. Furthermore, the total and dispersive solubility parameters appear diminishing upon temperature rise, whereas the opposite behavior is noticed for the polar and hydrogen bonding solubility parameters. The latter increase with temperature, probably, due to conformational changes of the polymer on the solid support. Finally, comparison of the solubilization profiles of fluorinated methacrylic polymers studied by IGC, leads to the conclusion that PTFEMA is more soluble compared to polymers with higher fluorine content. Copyright © 2013 Elsevier B.V. All rights reserved.

Heights of Coronal Mass Ejections and Shocks Inferred from Metric and DH Type II Radio Bursts

Science.gov (United States)

Shanmugaraju, A.; Bendict Lawrance, M.; Moon, Y. J.; Lee, Jae-Ok; Suresh, K.

2017-09-01

A set of 27 continuous events that showed extension of metric Type-II radio bursts (m-Type IIs) into the deca-hectometric (DH) domain is considered. The coronal mass ejections (CMEs) associated with this type of continuous event supply more energy to produce space-weather effects than the CMEs that produce Type-II bursts in any one region. Since the heights of shock formation at the start of m-Type IIs were not available from observations, they were estimated using kinematic modeling in previous studies. In the present study, the heights of shock formation during metric and DH Type-II bursts are determined using two methods: i) the CME leading-edge method and ii) a method employing known electron-density models and start/end frequencies. In the first method, assuming that the shocks are generated by the associated CMEs at the leading edge, the height of the CME leading edge (LE) is calculated at the onset and end of m-Type IIs using the kinematic equation with constant acceleration or constant speed. The LE heights of CMEs that are assumed to be the heights of shock formation/end of nearly 79% of m-Type IIs are found to be within the acceptable range of 1 - 3 R_{⊙}. For other events, the heights are beyond this range, for which the shocks might either have been generated at the CME flanks/flare-blast waves, or the initial CME height might have been different. The CME/shock height at the onset and end of 17 DH Type IIs are found to be in the range of 2 - 6 R_{⊙} and within 30 R_{⊙}, respectively. In addition, the CME LE heights from observations at the onset and end of metric/DH Type IIs are compared with the heights corresponding to the observed frequency that is determined using the known electron-density models, and they are in agreement with the model results. The heights are also estimated using the space speed available for 15 halo CMEs, and it is found that the difference is smaller at the m-Type II start/end (0.02 to 0.66 R_{⊙}) and slightly greater

40 CFR 721.9075 - Quaternary ammonium salt of fluorinated alkylaryl amide.

Science.gov (United States)

2010-07-01

... fluorinated alkylaryl amide. 721.9075 Section 721.9075 Protection of Environment ENVIRONMENTAL PROTECTION... amide. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as quaternary ammonium salt of fluorinated alkylaryl amide (PMN No. P-92-688) is...

Modelling of Technological Solutions to 4th Generation DH Systems

Directory of Open Access Journals (Sweden)

Vigants Edgars

2017-11-01

Full Text Available Flue gas evaporation and condensing processes are investigated in a direct contact heat exchanger - condensing unit, which is installed after a furnace. By using equations describing processes of heat and mass transfer, as well as correlation coherences for determining wet gas parameters, a model is formed to create a no-filling, direct contact heat exchanger. Results of heating equipment modelling and experimental research on the gas condensing unit show, that the capacity of the heat exchanger increases, when return temperature of the district heating network decreases. In order to explain these alterations in capacity, the character of the changes in water vapour partial pressure, in the propelling force of mass transfer, in gas and water temperatures and in the determining parameters of heat transfer are used in this article. The positive impact on the direct contact heat exchanger by the decreased district heating (DH network return temperature shows that introduction of the 4th generation DH system increases the energy efficiency of the heat exchanger. In order to make an assessment, the methodology suggested in the paper can be used in each particular situation.

Modelling of Technological Solutions to 4th Generation DH Systems

Science.gov (United States)

Vigants, Edgars; Prodanuks, Toms; Vigants, Girts; Veidenbergs, Ivars; Blumberga, Dagnija

2017-11-01

Flue gas evaporation and condensing processes are investigated in a direct contact heat exchanger - condensing unit, which is installed after a furnace. By using equations describing processes of heat and mass transfer, as well as correlation coherences for determining wet gas parameters, a model is formed to create a no-filling, direct contact heat exchanger. Results of heating equipment modelling and experimental research on the gas condensing unit show, that the capacity of the heat exchanger increases, when return temperature of the district heating network decreases. In order to explain these alterations in capacity, the character of the changes in water vapour partial pressure, in the propelling force of mass transfer, in gas and water temperatures and in the determining parameters of heat transfer are used in this article. The positive impact on the direct contact heat exchanger by the decreased district heating (DH) network return temperature shows that introduction of the 4th generation DH system increases the energy efficiency of the heat exchanger. In order to make an assessment, the methodology suggested in the paper can be used in each particular situation.

Polarimetry and spectrophotometry of the massive close binary DH Cephei

International Nuclear Information System (INIS)

Corcoran, M.F.

1988-01-01

DH Cep is a massive and close binary and a member of the young open cluster NGC 7380. Spectroscopically, this system is double-lined, classified as type O6 + O6. Photometrically, the system has been known to show small light variations phase-locked to the radial-velocity variations; these light variations characterize the star as an ellipsoidal variable. Four-color linear polarimetry, archival UV spectra taken by IUE and x-ray measures obtained by the Einstein satellite provide the first detailed analysis of this important system. Polarization measures demonstrate the (largely non-phase locked) variability of the circum-binary scattering environment, identify the scattering medium as electrons and indicate a large-scale change in the intrinsic polarization of the system. UV spectral analysis is used to determine the composite photospheric temperature, the component masses and spectral classifications, the degree of mass loss, and the distribution of interstellar matter along the line of sight to the binary. Measures obtained by the Einstein satellite of the x-ray emission from the system indicate that DH Cep is a strong source of hard x-rays. A model of the binary is developed

Non-amidated and amidated members of the C-type allatostatin (AST-C) family are differentially distributed in the stomatogastric nervous system of the American lobster, Homarus americanus.

Science.gov (United States)

Christie, Andrew E; Miller, Alexandra; Fernandez, Rebecca; Dickinson, Evyn S; Jordan, Audrey; Kohn, Jessica; Youn, Mina C; Dickinson, Patsy S

2018-01-13

The crustacean stomatogastric nervous system (STNS) is a well-known model for investigating neuropeptidergic control of rhythmic behavior. Among the peptides known to modulate the STNS are the C-type allatostatins (AST-Cs). In the lobster, Homarus americanus, three AST-Cs are known. Two of these, pQIRYHQCYFNPISCF (AST-C I) and GNGDGRLYWRCYFNAVSCF (AST-C III), have non-amidated C-termini, while the third, SYWKQCAFNAVSCFamide (AST-C II), is C-terminally amidated. Here, antibodies were generated against one of the non-amidated peptides (AST-C I) and against the amidated isoform (AST-C II). Specificity tests show that the AST-C I antibody cross-reacts with both AST-C I and AST-C III, but not AST-C II; the AST-C II antibody does not cross-react with either non-amidated peptide. Wholemount immunohistochemistry shows that both subclasses (non-amidated and amidated) of AST-C are distributed throughout the lobster STNS. Specifically, the antibody that cross-reacts with the two non-amidated peptides labels neuropil in the CoGs and the stomatogastric ganglion (STG), axons in the superior esophageal (son) and stomatogastric (stn) nerves, and ~ 14 somata in each commissural ganglion (CoG). The AST-C II-specific antibody labels neuropil in the CoGs, STG and at the junction of the sons and stn, axons in the sons and stn, ~ 42 somata in each CoG, and two somata in the STG. Double immunolabeling shows that, except for one soma in each CoG, the non-amidated and amidated peptides are present in distinct sets of neuronal profiles. The differential distributions of the two AST-C subclasses suggest that the two peptide groups are likely to serve different modulatory roles in the lobster STNS.

Characteristic conformation of Mosher's amide elucidated using the cambridge structural database.

Science.gov (United States)

Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji

2015-07-16

Conformations of the crystalline 3,3,3-trifluoro-2-methoxy-2-phenylpropanamide derivatives (MTPA amides) deposited in the Cambridge Structural Database (CSD) were examined statistically as Racid-enantiomers. The majority of dihedral angles (48/58, ca. 83%) of the amide carbonyl groups and the trifluoromethyl groups ranged from -30° to 0° with an average angle θ1 of -13°. The other conformational properties were also clarified: (1) one of the fluorine atoms was antiperiplanar (ap) to the amide carbonyl group, forming a staggered conformation; (2) the MTPA amides prepared from primary amines showed a Z form in amide moieties; (3) in the case of the MTPA amide prepared from a primary amine possessing secondary alkyl groups (i.e., Mosher-type MTPA amide), the dihedral angles between the methine groups and the carbonyl groups were syn and indicative of a moderate conformational flexibility; (4) the phenyl plane was inclined from the O-Cchiral bond of the methoxy moiety with an average dihedral angle θ2 of +21°; (5) the methyl group of the methoxy moiety was ap to the ipso-carbon atom of the phenyl group.

Structural study of salt forms of amides; paracetamol, benzamide and piperine

Science.gov (United States)

Kennedy, Alan R.; King, Nathan L. C.; Oswald, Iain D. H.; Rollo, David G.; Spiteri, Rebecca; Walls, Aiden

2018-02-01

Single crystal x-ray diffraction has been used to investigate the structures of six complexes containing O-atom protonated cations derived from the pharmaceutically relevant amides benzamide (BEN), paracetamol (PAR) and piperine (PIP). The structures of the salt forms [PAR(H)][SO3C6H4Cl], [BEN(H)][O3SC6H4Cl] and [BEN(H)][Br]·H2O are reported along with those of the hemi-halide salt forms [PAR(H)][I3]. PAR, [PIP(H)][I3]·PIP and [PIP(H)][I3]0·5[I]0.5. PIP. The structure of the cocrystal BEN. HOOCCH2Cl is also presented for comparison. The geometry of the amide group is found to systematically change upon protonation, with the Cdbnd O distance increasing and the Csbnd N distance decreasing. The hemi-halide species all feature strongly hydrogen bonded amide(H)/amide pairs. The amide group Cdbnd O and Csbnd N distances for both elements of each such pair are intermediate between those found for simple neutral amide and protonated amide forms. It was found that crystallising paracetamol from aqueous solutions containing Ba2+ ions gave orthorhombic paracetamol.

Predicting protein amidation sites by orchestrating amino acid sequence features

Science.gov (United States)

Zhao, Shuqiu; Yu, Hua; Gong, Xiujun

2017-08-01

Amidation is the fourth major category of post-translational modifications, which plays an important role in physiological and pathological processes. Identifying amidation sites can help us understanding the amidation and recognizing the original reason of many kinds of diseases. But the traditional experimental methods for predicting amidation sites are often time-consuming and expensive. In this study, we propose a computational method for predicting amidation sites by orchestrating amino acid sequence features. Three kinds of feature extraction methods are used to build a feature vector enabling to capture not only the physicochemical properties but also position related information of the amino acids. An extremely randomized trees algorithm is applied to choose the optimal features to remove redundancy and dependence among components of the feature vector by a supervised fashion. Finally the support vector machine classifier is used to label the amidation sites. When tested on an independent data set, it shows that the proposed method performs better than all the previous ones with the prediction accuracy of 0.962 at the Matthew's correlation coefficient of 0.89 and area under curve of 0.964.

48 CFR 9904.404-63 - Effective date.

Science.gov (United States)

2010-10-01

...-63 Section 9904.404-63 Federal Acquisition Regulations System COST ACCOUNTING STANDARDS BOARD, OFFICE OF FEDERAL PROCUREMENT POLICY, OFFICE OF MANAGEMENT AND BUDGET PROCUREMENT PRACTICES AND COST ACCOUNTING STANDARDS COST ACCOUNTING STANDARDS 9904.404-63 Effective date. (a) This Standard is effective...

Tripodal diglycol-amides as highly efficient extractants for f-elements

Energy Technology Data Exchange (ETDEWEB)

Janczewski, D.; Reinhoudt, D. N.; Verboom, W. [Univ Twente, Mesa Res Inst Nanotechnol, Lab Supramol Chem and Technol, NL-7500 AE Enschede, (Netherlands); Janczewski, D. [Inst Mat Res and Engn, Singapore 117602, (Singapore); Verboom, W. [Univ Twente, Mesa Res Inst Nanotechnol, Lab Mol Nanofabricat, NL-7500 AE Enschede, (Netherlands); Hill, C.; Allignol, C.; Duchesne, M. T. [CEA Valrho, DRCP/SCPS/LCSE, F-30207 Bagnols Sur Ceze, (France)

2008-07-01

A series of new ligands bearing three diglycol-amide functions pre-organized at the C-pivot and tri-alkyl-phenyl platforms was synthesized. They are very efficient extractants for Am{sup 3+} and Eu{sup 3+} with an up to five times relative extraction ability for Eu{sup 3+}. The distribution coefficients are up to 1000 times increased upon alkylation or arylation of the N-position of the diglycol-amide moieties. The tripodal diglycol-amides show a 1: 1 metal to ligand stoichiometry as proven with three independent methods for the complexation of the 3-pentyl N-substituted diglycol-amide ligand with Eu{sup 3+} (K = 2.5 x 10{sup 5} M{sup -1} in acetonitrile-water). A cage-like cryptand, containing three diglycol-amide units, was prepared using a Eu{sup 3+} templated synthesis. However, it does not exhibit improved extraction properties. (authors)

Synthesis of amide-functionalized cellulose esters by olefin cross-metathesis.

Science.gov (United States)

Meng, Xiangtao; Edgar, Kevin J

2015-11-05

Cellulose esters with amide functionalities were synthesized by cross-metathesis (CM) reaction of terminally olefinic esters with different acrylamides, catalyzed by Hoveyda-Grubbs 2nd generation catalyst. Chelation by amides of the catalyst ruthenium center caused low conversions using conventional solvents. The effects of both solvent and structure of acrylamide on reaction conversion were investigated. While the inherent tendency of acrylamides to chelate Ru is governed by the acrylamide N-substituents, employing acetic acid as a solvent significantly improved the conversion of certain acrylamides, from 50% to up to 99%. Homogeneous hydrogenation using p-toluenesulfonyl hydrazide successfully eliminated the α,β-unsaturation of the CM products to give stable amide-functionalized cellulose esters. The amide-functionalized product showed higher Tg than its starting terminally olefinic counterpart, which may have resulted from strong hydrogen bonding interactions of the amide functional groups. Copyright © 2015 Elsevier Ltd. All rights reserved.

40 CFR 721.10176 - Amides, peanut-oil, N-[3-(dimethylamino)propyl].

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amides, peanut-oil, N-[3... Specific Chemical Substances § 721.10176 Amides, peanut-oil, N-[3-(dimethylamino)propyl]. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amides...

40 CFR 721.10192 - Amides, coco, N-[3-(dibutylamino)propyl], acrylates.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amides, coco, N-[3-(dibutylamino... Specific Chemical Substances § 721.10192 Amides, coco, N-[3-(dibutylamino)propyl], acrylates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amides...

12 CFR 404.18 - Requests for correction of records.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Requests for correction of records. 404.18 Section 404.18 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.18 Requests for correction of records. (a) Form. Requests for...

12 CFR 404.14 - Requirements of request for access.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Requirements of request for access. 404.14 Section 404.14 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.14 Requirements of request for access. (a) Form. Requests for...

Decarbonylative Phosphorylation of Amides by Palladium and Nickel Catalysis: The Hirao Cross-Coupling of Amide Derivatives.

Science.gov (United States)

Liu, Chengwei; Szostak, Michal

2017-10-02

Considering the ubiquity of organophosphorus compounds in organic synthesis, pharmaceutical discovery agrochemical crop protection and materials chemistry, new methods for their construction hold particular significance. A conventional method for the synthesis of C-P bonds involves cross-coupling of aryl halides and dialkyl phosphites (the Hirao reaction). We report a catalytic deamidative phosphorylation of a wide range of amides using a palladium or nickel catalyst giving aryl phosphonates in good to excellent yields. The present method tolerates a wide range of functional groups. The reaction constitutes the first example of a transition-metal-catalyzed generation of C-P bonds from amides. This redox-neutral protocol can be combined with site-selective conventional cross-coupling for the regioselective synthesis of potential pharmacophores. Mechanistic studies suggest an oxidative addition/transmetallation pathway. In light of the importance of amides and phosphonates as synthetic intermediates, we envision that this Pd and Ni-catalyzed C-P bond forming method will find broad application. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impaired Insulin Signaling is Associated with Hepatic Mitochondrial Dysfunction in IR+/−-IRS-1+/− Double Heterozygous (IR-IRS1dh Mice

Directory of Open Access Journals (Sweden)

Andras Franko

2017-05-01

Full Text Available Mitochondria play a pivotal role in energy metabolism, but whether insulin signaling per se could regulate mitochondrial function has not been identified yet. To investigate whether mitochondrial function is regulated by insulin signaling, we analyzed muscle and liver of insulin receptor (IR+/−-insulin receptor substrate-1 (IRS-1+/− double heterozygous (IR-IRS1dh mice, a well described model for insulin resistance. IR-IRS1dh mice were studied at the age of 6 and 12 months and glucose metabolism was determined by glucose and insulin tolerance tests. Mitochondrial enzyme activities, oxygen consumption, and membrane potential were assessed using spectrophotometric, respirometric, and proton motive force analysis, respectively. IR-IRS1dh mice showed elevated serum insulin levels. Hepatic mitochondrial oxygen consumption was reduced in IR-IRS1dh animals at 12 months of age. Furthermore, 6-month-old IR-IRS1dh mice demonstrated enhanced mitochondrial respiration in skeletal muscle, but a tendency of impaired glucose tolerance. On the other hand, 12-month-old IR-IRS1dh mice showed improved glucose tolerance, but normal muscle mitochondrial function. Our data revealed that deficiency in IR/IRS-1 resulted in normal or even elevated skeletal muscle, but impaired hepatic mitochondrial function, suggesting a direct cross-talk between insulin signaling and mitochondria in the liver.

12 CFR 404.17 - Appeal of denials of access.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Appeal of denials of access. 404.17 Section 404.17 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.17 Appeal of denials of access. (a) Appeals to the Assistant General...

Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

Science.gov (United States)

Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

2013-08-22

We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

Influence mechanism of low-dose ionizing radiation on Escherichia coli DH5α population based on plasma theory and system dynamics simulation

International Nuclear Information System (INIS)

Sun, Yi; Hu, Dawei; Li, Liang; Jing, Zheng; Wei, Chuanfeng; Zhang, Lantao; Fu, Yuming

2016-01-01

It remains a mystery why the growth rate of bacteria is higher in low-dose ionizing radiation (LDIR) environment than that in normal environment. In this study, a hypothesis composed of environmental selection and competitive exclusion was firstly proposed from observed phenomena, experimental data and microbial ecology. Then a LDIR environment simulator (LDIRES) was built to cultivate a model organism of bacteria, Escherichia coli (E. coli) DH5α, the accurate response of bacterial population to ionizing radiation intensity variation was measured experimentally, and then the precise relative dosage of ionizing radiation E. coli DH5α population received was calculated by finite element analysis based on drift-diffusion equations of plasma. Finally, a highly valid mathematical model expressing the relationship between E. coli DH5α population and LDIR intensity was developed by system dynamics based on hypotheses, experimental data and microbial ecology. Both experiment and simulation results clearly showed that the E. coli DH5α individuals with greater specific growth rate and lower substrate consumption coefficient would adapt and survive in LDIR environment and those without such adaptability were finally eliminated under the combined effects of ionizing radiation selection and competitive exclusion. - Highlights: • Establishment of a low-dose ionizing radiation (LDIR) environment simulator. • Escherichiacoli DH5α was selected as a bacterial representative for investigation. • Precise LDIR intensity for E. coli DH5α was calculated by FEA and plasma theory. • Development of system dynamics model of LDIR influence on E. coli DH5α population. • Mechanism of bacterial boom in LDIR environment was elucidated by computer simulation.

20 CFR 404.1065 - Self-employment coverage.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Self-employment coverage. 404.1065 Section... INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Self-Employment § 404.1065 Self-employment coverage. For an individual to have self-employment coverage under social security, the...

New organic semiconductors with imide/amide-containing molecular systems.

Science.gov (United States)

Liu, Zitong; Zhang, Guanxin; Cai, Zhengxu; Chen, Xin; Luo, Hewei; Li, Yonghai; Wang, Jianguo; Zhang, Deqing

2014-10-29

Due to their high electron affinities, chemical and thermal stabilities, π-conjugated molecules with imide/amide frameworks have received considerable attentions as promising candidates for high-performance optoelectronic materials, particularly for organic semiconductors with high carrier mobilities. The purpose of this Research News is to give an overview of recent advances in development of high performance imide/amide based organic semiconductors for field-effect transistors. It covers naphthalene diimide-, perylene diimide- and amide-based conjugated molecules and polymers for organic semiconductors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Picosecond thermometer in the amide I band of myoglobin

DEFF Research Database (Denmark)

Austin, R.H.; Xie, A.; Meer, L. van der

2005-01-01

The amide I and II bands in myoglobin show a heterogeneous temperature dependence, with bands at 6.17 and 6.43 mu m which are more intense at low temperatures. The amide I band temperature dependence is on the long wavelength edge of the band, while the short wavelength side has almost...... can be used to determine the time it takes vibrational energy to flow into the hydration shell. We determine that vibrational energy flow to the hydration shell from the amide I takes approximately 20 ps to occur....

Citral derived amides as potent bacterial NorA efflux pump inhibitors

DEFF Research Database (Denmark)

Thota, Niranjan; Koul, Surrinder; Reddy, Mallepally V

2008-01-01

Monoterpene citral and citronellal have been used as starting material for the preparation of 5,9-dimethyl-deca-2,4,8-trienoic acid amides and 9-formyl-5-methyl-deca-2,4,8-trienoic acid amides. The amides on bioevaluation as efflux pump inhibitors (EPIs) against Staphylococcus aureus 1199 and NorA...

On the unconventional amide I band in acetanilide

Science.gov (United States)

Tenenbaum, Alexander; Campa, Alessandro; Giansanti, Andrea

1987-04-01

We developed a new model to study the molecular dynamics of the acetanilide (ACN) crystal by computer simulation. Low-frequency oscillations of the molecules as a whole were considered with high-frequency vibrations of the amidic degrees of freedom involved in hydrogen bonding. The low-temperature power spectrum has two peaks, shifted by 15 cm -1, in the region of the amide I band: one of them corresponds to the so-called anomalous amide I band in the IR and Raman spectra of ACN. We found that this peak is due to the coupling of the low-frequency motion in the chain of molecules with the motion of the hydrogen-bonded protons, at variance with current suggestions.

The radiation chemistry of organic amides: Pt. 1

International Nuclear Information System (INIS)

Langan, J.R.; Liu, K.J.; Salmon, G.A.; Edwards, P.P.; Ellaboudy, A.; Holton, D.M.

1989-01-01

Pulse radiolysis of four cyclic amides including N-methylpyrrolidinone (NMP), and the non-cyclic amide tetramethylurea (TMU) yielded absorption spectra in the near infrared that are attributed to solvated electrons. Addition of a variety of alkali-metal salts caused no detectable change in the absorption spectrum of e s - and no new absorptions attributable to alkali-metal anions were detected. The effect of dose on the decay of e s - in NMP was studied in detail. The yields of e s - in these amides were estimated by using trans-stilbene as an electron scavenger. Absorption spectra, which are not removed by saturation with N 2 O and CO 2 , are observed in the wavelength range 300-500 nm. (author)

20 CFR 404.1036 - Certain nonresident aliens.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Certain nonresident aliens. 404.1036 Section... Employment § 404.1036 Certain nonresident aliens. (a) Foreign students. (1) Foreign students (nonimmigrant aliens) may be temporarily in the United States under subparagraph (F) of section 101(a)(15) of the...

What is Neptune's D/H ratio really telling us about its water abundance?

Science.gov (United States)

Ali-Dib, Mohamad; Lakhlani, Gunjan

2018-05-01

We investigate the deep-water abundance of Neptune using a simple two-component (core + envelope) toy model. The free parameters of the model are the total mass of heavy elements in the planet (Z), the mass fraction of Z in the envelope (fenv), and the D/H ratio of the accreted building blocks (D/Hbuild).We systematically search the allowed parameter space on a grid and constrain it using Neptune's bulk carbon abundance, D/H ratio, and interior structure models. Assuming solar C/O ratio and cometary D/H for the accreted building blocks are forming the planet, we can fit all of the constraints if less than ˜15 per cent of Z is in the envelope (f_{env}^{median} ˜ 7 per cent), and the rest is locked in a solid core. This model predicts a maximum bulk oxygen abundance in Neptune of 65× solar value. If we assume a C/O of 0.17, corresponding to clathrate-hydrates building blocks, we predict a maximum oxygen abundance of 200× solar value with a median value of ˜140. Thus, both cases lead to oxygen abundance significantly lower than the preferred value of Cavalié et al. (˜540× solar), inferred from model-dependent deep CO observations. Such high-water abundances are excluded by our simple but robust model. We attribute this discrepancy to our imperfect understanding of either the interior structure of Neptune or the chemistry of the primordial protosolar nebula.

12 CFR 404.7 - Confidential business information.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Confidential business information. 404.7 Section 404.7 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures... involved, a general description of the related U.S. exports, and the country to which such exports are...

48 CFR 1515.404-475 - Cost realism.

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2010-10-01

... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Cost realism. 1515.404-475... METHODS AND CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 1515.404-475 Cost realism. The EPA structured approach is not required when the contracting officer is evaluating cost realism in a competitive...

Crystal structure of beryllium amide, Be(NH2)2

International Nuclear Information System (INIS)

Jacobs, H.

1976-01-01

The x-ray investigation of single crystals of beryllium amide led to the following results. The compound crystallizes tetragonally a = 10.170 +- 0.005 A, c = 16.137 +- 0.008 A, and c/a = 1.587. The space group is I4 1 /acd. The lattice contains 32 formula units. The positions of all atoms including hydrogen were determined. The structure of Be(NH 2 ) 2 can be described by a strongly deformed cubic closepacking of anions. The cations occupy tetrahedral interstices so that 4 Be 2+ ions form a regular tetrahedron with the shortest Be-Be distances. This causes units, which can be described by Be 4 (NH 2 ) 6 (NH 2 ) 4 / 2 whereas the outer 4 amide ions serve as bridging anions to give a threedimensional arrangement. The orientation of the amide ions is given and compared with earlier results on similar metal amides. (author)

Poly(ester amide)s based on (L)-lactic acid oligomers and α-amino acids: influence of the α-amino acid side chain in the poly(ester amide)s properties.

Science.gov (United States)

Fonseca, Ana C; Coelho, Jorge F J; Valente, Joana F A; Correia, Tiago R; Correia, Ilídio J; Gil, Maria H; Simões, Pedro N

2013-01-01

Novel biodegradable and low cytotoxic poly(ester amide)s (PEAs) based on α-amino acids and (L)-lactic acid (L-LA) oligomers were successfully synthesized by interfacial polymerization. The chemical structure of the new polymers was confirmed by spectroscopic analyses. Further characterization suggests that the α-amino acid plays a critical role on the final properties of the PEA. L-phenylalanine provides PEAs with higher glass transition temperature, whereas glycine enhances the crystallinity. The hydrolytic degradation in PBS (pH = 7.4) at 37 °C also depends on the α-amino acid, being faster for glycine-based PEAs. The cytotoxic profiles using fibroblast human cells indicate that the PEAs did not elicit an acute cytotoxic effect. The strategy presented in this work opens the possibility of synthesizing biodegradable PEAs with low citotoxicity by an easy and fast method. It is worth to mention also that the properties of these materials can be fine-tuned only by changing the α-amino acid.

Adsorption equilibrium of uranium from seawater on chelating resin containing amide oxime group

International Nuclear Information System (INIS)

Hori, Takahiro; Saito, Kyoichi; Furusaki, Shintaro; Sugo, Takanobu; Okamoto, Jiro.

1987-01-01

Chelating resins containing amide oxime group were synthesized by radiation-induced graft polymerization. The amount of the amide oxime groups was controlled below about 0.1 mol per kg of base polymer. The adsorption equilibrium of uranium from seawater on this resin was investigated. It was suggested that two neighboring amide oxime groups on the grafted chain captured one uranyl ion, and that single amide oxime ligand had little capacity for the adsorption of uranium. The adsorption equilibrium was correlated by a Langmuir-type equation. The content of neighboring amide oxime groups was 0.406 x 10 -3 mol per kg of base polymer, which corresponded to 0.39 % of the total amount of amide oxime groups. The apparent stoichiometric stability constant for the complex of uranyl ion with the neighboring amide oxime groups in seawater was calculated to be 10 -21.7 . (author)

Vibrational lifetimes of protein amide modes

International Nuclear Information System (INIS)

Peterson, K.A.; Rella, C.A.

1995-01-01

Measurement of the lifetimes of vibrational modes in proteins has been achieved with a single frequency infrared pump-probe technique using the Stanford Picosecond Free-electron Laser, These are the first direct measurements of vibrational dynamics in the polyamide structure of proteins. In this study, modes associated with the protein backbone are investigated. Results for the amide I band, which consists mainly of the stretching motion of the carbonyl unit of the amide linkage, show that relaxation from the first vibrational excited level (v=1) to the vibrational ground state (v=0) occurs within 1.5 picoseconds with apparent first order kinetics. Comparison of lifetimes for myoglobin and azurin, which have differing secondary structures, show a small but significant difference. The lifetime for the amide I band of myoglobin is 300 femtoseconds shorter than for azurin. Further measurements are in progress on other backbone vibrational modes and on the temperature dependence of the lifetimes. Comparison of vibrational dynamics for proteins with differing secondary structure and for different vibrational modes within a protein will lead to a greater understanding of energy transfer and dissipation in biological systems. In addition, these results have relevance to tissue ablation studies which have been conducted with pulsed infrared lasers. Vibrational lifetimes are necessary for calculating the rate at which the energy from absorbed infrared photons is converted to equilibrium thermal energy within the irradiated volume. The very fast vibrational lifetimes measured here indicate that mechanisms which involve direct vibrational up-pumping of the amide modes with consecutive laser pulses, leading to bond breakage or weakening, are not valid

AMIDE: A Free Software Tool for Multimodality Medical Image Analysis

Directory of Open Access Journals (Sweden)

Andreas Markus Loening

2003-07-01

Full Text Available Amide's a Medical Image Data Examiner (AMIDE has been developed as a user-friendly, open-source software tool for displaying and analyzing multimodality volumetric medical images. Central to the package's abilities to simultaneously display multiple data sets (e.g., PET, CT, MRI and regions of interest is the on-demand data reslicing implemented within the program. Data sets can be freely shifted, rotated, viewed, and analyzed with the program automatically handling interpolation as needed from the original data. Validation has been performed by comparing the output of AMIDE with that of several existing software packages. AMIDE runs on UNIX, Macintosh OS X, and Microsoft Windows platforms, and it is freely available with source code under the terms of the GNU General Public License.

Mechanistic Studies on the Copper-Catalyzed N-Arylation of Amides

Science.gov (United States)

Strieter, Eric R.; Bhayana, Brijesh; Buchwald, Stephen L.

2009-01-01

The copper-catalyzed N-arylation of amides, i.e., the Goldberg reaction, is an efficient method for the construction of products relevant to both industry and academic settings. Herein, we present mechanistic details concerning the catalytic and stoichiometric N-arylation of amides. In the context of the catalytic reaction, our findings reveal the importance of chelating diamine ligands in controlling the concentration of the active catalytic species. The consistency between the catalytic and stoichiometric results suggest that the activation of aryl halides occurs through a 1,2-diamine-ligated copper(I) amidate complex. Kinetic studies on the stoichiometric N-arylation of aryl iodides using 1,2-diamine ligated Cu(I) amidates also provide insights into the mechanism of aryl halide activation. PMID:19072233

Analytical applications of resins containing amide and polyamine functional groups

International Nuclear Information System (INIS)

Orf, G.M.

1977-12-01

A dibutyl amide resin is used for the separation of uranium(VI), thorium(IV), and zirconium(IV) from each other and several other metal ions. Uranium(VI) and thorium(IV) are determined in the presence of large excesses of foreign metal ions and anions. A practical application of the amide resin is studied by determining uranium in low grade uranium ores. The amide resin is also used for the selective concentration of gold(III) from sea water

Analytical applications of resins containing amide and polyamine functional groups

Energy Technology Data Exchange (ETDEWEB)

Orf, Gene Michael [Iowa State Univ., Ames, IA (United States)

1977-12-01

A dibutyl amide resin is used for the separation of uranium(VI), thorium(IV), and zirconium(IV) from each other and several other metal ions. Uranium(VI) and thorium(IV) are determined in the presence of large excesses of foreign metal ions and anions. A practical application of the amide resin is studied by determining uranium in low grade uranium ores. The amide resin is also used for the selective concentration of gold(III) from sea water.

Facile access to amides and hydroxamic acids directly from nitroarenes.

Science.gov (United States)

Jain, Shreyans K; Aravinda Kumar, K A; Bharate, Sandip B; Vishwakarma, Ram A

2014-09-07

A new method for synthesis of amides and hydroxamic acids from nitroarenes and aldehydes is described. The MnO2 catalyzed thermal deoxygenation of nitrobenzene resulted in formation of a reactive nitroso intermediate which on reaction with aldehydes provided amides and hydroxamic acids. The thermal neat reaction in the presence of 0.01 mmol KOH predominantly led to formation of hydroxamic acid whereas reaction in the presence of 1 mmol acetic acid produced amides as the only product.

20 CFR 404.1013 - Included-excluded rule.

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2010-04-01

... least one-half of your time in the pay period is in covered work. If you spend most of your time in a... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Included-excluded rule. 404.1013 Section 404.1013 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY...

20 CFR 404.1360 - Veterans Administration pension or compensation payable.

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2010-04-01

... Uniformed Services Effect of Other Benefits on Payment of Social Security Benefits and Payments § 404.1360... compensation payable. 404.1360 Section 404.1360 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD... lump-sum death payment based on the death of the World War II veteran without using the wage credits...

Polyimides Containing Amide And Perfluoroisopropyl Links

Science.gov (United States)

Dezem, James F.

1993-01-01

New polyimides synthesized from reactions of aromatic hexafluoroisopropyl dianhydrides with asymmetric amide diamines. Soluble to extent of at least 10 percent by weight at temperature of about 25 degrees C in common amide solvents such as N-methylpyrrolidone, N,N-dimethylacetamide, and N,N-dimethylformamide. Polyimides form tough, flexible films, coatings, and moldings. Glass-transition temperatures ranged from 300 to 365 degrees C, and crystalline melting temperatures observed between 543 and 603 degrees C. Display excellent physical, chemical, and electrical properties. Useful as adhesives, laminating resins, fibers, coatings for electrical and decorative purposes, films, wire enamels, and molding compounds.

Synthesis and biological activity of pyridazine amides, hydrazones and hydrazides.

Science.gov (United States)

Buysse, Ann M; Yap, Maurice Ch; Hunter, Ricky; Babcock, Jonathan; Huang, Xinpei

2017-04-01

Optimization studies on compounds initially designed to be herbicides led to the discovery of a series of [6-(3-pyridyl)pyridazin-3-yl]amides exhibiting aphicidal properties. Systematic modifications of the amide moiety as well as the pyridine and pyridazine rings were carried out to determine if these changes could improve insecticidal potency. Structure-activity relationship (SAR) studies showed that changes to the pyridine and pyridazine rings generally resulted in a significant loss of insecticidal potency against green peach aphids [Myzus persicae (Sulzer)] and cotton aphids [(Aphis gossypii (Glover)]. However, replacement of the amide moiety with hydrazines, hydrazones, or hydrazides appeared to be tolerated, with small aliphatic substituents being especially potent. A series of aphicidal [6-(3-pyridyl)pyridazin-3-yl]amides were discovered as a result of random screening of compounds that were intially investigated as herbicides. Follow-up studies of the structure-activity relationship of these [6-(3-pyridyl)pyridazin-3-yl]amides showed that biosteric replacement of the amide moiety was widely tolerated suggesting that further opportunities for exploitation may exist for this new area of insecticidal chemistry. Insecticidal efficacy from the original hit, compound 1, to the efficacy of compound 14 produced greater than 10-fold potency improvement against Aphis gossypii and greater than 14-fold potency improvement against Myzus persicae. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Fatty acid amides from freshwater green alga Rhizoclonium hieroglyphicum.

Science.gov (United States)

Dembitsky, V M; Shkrob, I; Rozentsvet, O A

2000-08-01

Freshwater green algae Rhizoclonium hieroglyphicum growing in the Ural Mountains were examined for their fatty acid amides using capillary gas chromatography-mass spectrometry (GC-MS). Eight fatty acid amides were identified by GC-MS. (Z)-9-octadecenamide was found to be the major component (2.26%).

20 CFR 404.1007 - Common-law employee.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Common-law employee. 404.1007 Section 404... Common-law employee. (a) General. The common-law rules on employer-employee status are the basic test for.... Even though you are considered self-employed under the common-law rules, you may still be an employee...

Phenolic Amides Are Potent Inhibitors of De Novo Nucleotide Biosynthesis.

Science.gov (United States)

Pisithkul, Tippapha; Jacobson, Tyler B; O'Brien, Thomas J; Stevenson, David M; Amador-Noguez, Daniel

2015-09-01

An outstanding challenge toward efficient production of biofuels and value-added chemicals from plant biomass is the impact that lignocellulose-derived inhibitors have on microbial fermentations. Elucidating the mechanisms that underlie their toxicity is critical for developing strategies to overcome them. Here, using Escherichia coli as a model system, we investigated the metabolic effects and toxicity mechanisms of feruloyl amide and coumaroyl amide, the predominant phenolic compounds in ammonia-pretreated biomass hydrolysates. Using metabolomics, isotope tracers, and biochemical assays, we showed that these two phenolic amides act as potent and fast-acting inhibitors of purine and pyrimidine biosynthetic pathways. Feruloyl or coumaroyl amide exposure leads to (i) a rapid buildup of 5-phosphoribosyl-1-pyrophosphate (PRPP), a key precursor in nucleotide biosynthesis, (ii) a rapid decrease in the levels of pyrimidine biosynthetic intermediates, and (iii) a long-term generalized decrease in nucleotide and deoxynucleotide levels. Tracer experiments using (13)C-labeled sugars and [(15)N]ammonia demonstrated that carbon and nitrogen fluxes into nucleotides and deoxynucleotides are inhibited by these phenolic amides. We found that these effects are mediated via direct inhibition of glutamine amidotransferases that participate in nucleotide biosynthetic pathways. In particular, feruloyl amide is a competitive inhibitor of glutamine PRPP amidotransferase (PurF), which catalyzes the first committed step in de novo purine biosynthesis. Finally, external nucleoside supplementation prevents phenolic amide-mediated growth inhibition by allowing nucleotide biosynthesis via salvage pathways. The results presented here will help in the development of strategies to overcome toxicity of phenolic compounds and facilitate engineering of more efficient microbial producers of biofuels and chemicals. Copyright © 2015, Pisithkul et al.

Phenolic Amides Are Potent Inhibitors of De Novo Nucleotide Biosynthesis

Science.gov (United States)

Pisithkul, Tippapha; Jacobson, Tyler B.; O'Brien, Thomas J.; Stevenson, David M.

2015-01-01

An outstanding challenge toward efficient production of biofuels and value-added chemicals from plant biomass is the impact that lignocellulose-derived inhibitors have on microbial fermentations. Elucidating the mechanisms that underlie their toxicity is critical for developing strategies to overcome them. Here, using Escherichia coli as a model system, we investigated the metabolic effects and toxicity mechanisms of feruloyl amide and coumaroyl amide, the predominant phenolic compounds in ammonia-pretreated biomass hydrolysates. Using metabolomics, isotope tracers, and biochemical assays, we showed that these two phenolic amides act as potent and fast-acting inhibitors of purine and pyrimidine biosynthetic pathways. Feruloyl or coumaroyl amide exposure leads to (i) a rapid buildup of 5-phosphoribosyl-1-pyrophosphate (PRPP), a key precursor in nucleotide biosynthesis, (ii) a rapid decrease in the levels of pyrimidine biosynthetic intermediates, and (iii) a long-term generalized decrease in nucleotide and deoxynucleotide levels. Tracer experiments using 13C-labeled sugars and [15N]ammonia demonstrated that carbon and nitrogen fluxes into nucleotides and deoxynucleotides are inhibited by these phenolic amides. We found that these effects are mediated via direct inhibition of glutamine amidotransferases that participate in nucleotide biosynthetic pathways. In particular, feruloyl amide is a competitive inhibitor of glutamine PRPP amidotransferase (PurF), which catalyzes the first committed step in de novo purine biosynthesis. Finally, external nucleoside supplementation prevents phenolic amide-mediated growth inhibition by allowing nucleotide biosynthesis via salvage pathways. The results presented here will help in the development of strategies to overcome toxicity of phenolic compounds and facilitate engineering of more efficient microbial producers of biofuels and chemicals. PMID:26070680

‘Umpolung’ Reactivity in Semiaqueous Amide and Peptide Synthesis

Science.gov (United States)

Shen, Bo; Makley, Dawn M.; Johnston, Jeffrey N.

2010-01-01

The amide functional group is one of Nature’s key functional and structural elements, most notably within peptides. Amides are also key intermediates in the preparation of a diverse range of therapeutic small molecules. Its construction using available methods focuses principally upon dehydrative approaches, although oxidative and radical-based methods are representative alternatives. During the carbon-nitrogen bond forming step in most every example, the carbon and nitrogen bear electrophilic and nucleophilic character, respectively. Here we show that activation of amines and nitroalkanes with an electrophilic iodine source in wet THF can lead directly to amide products. Preliminary observations support a mechanistic construct in which reactant polarity is reversed (umpolung) during C-N bond formation relative to traditional approaches. The use of nitroalkanes as acyl anion equivalents provides a conceptually innovative approach to amide and peptide synthesis, and one that might ultimately provide for efficient peptide synthesis that is fully reliant on enantioselective methods. PMID:20577205

Stability of Medium-Bridged Twisted Amides in Aqueous Solutions

Science.gov (United States)

Szostak, Michal; Yao, Lei; Aubé, Jeffrey

2012-01-01

“Twisted” amides containing non-standard dihedral angles are typically hypersensitive to hydrolysis, a feature that has stringently limited their utility in water. We have synthesized a series of bridged lactams that contain a twisted amide linkage but which exhibit enhanced stability in aqueous environments. Many of these compounds were extracted unchanged from aqueous mixtures ranging from the strongly basic to the strongly acidic. NMR experiments showed that tricyclic lactams undergo reversible hydrolysis at extreme pH ranges, but that a number of compounds in this structure class are indefinitely stable under physiologically relevant pH conditions; one bicyclic example was additionally water-soluble. We examined the effect of structure on the reversibility of amide bond hydrolysis, which we attributed to the transannular nature of the amino acid analogs. These data suggest that medium-bridged lactams of these types should provide useful platforms for studying the behavior of twisted amides in aqueous systems. PMID:19178141

Evaluation of an amide-based stationary phase for supercritical fluid chromatography

Science.gov (United States)

Borges-Muñoz, Amaris C.; Colón, Luis A.

2017-01-01

A relatively new stationary phase containing a polar group embedded in a hydrophobic backbone (i.e., ACE® C18-amide) was evaluated for use in supercritical fluid chromatography. The amide-based column was compared with columns packed with bare silica, C18 silica, and a terminal-amide silica phase. The system was held at supercritical pressure and temperature with a mobile phase composition of CO2 and methanol as cosolvent. The linear solvation energy relationship model was used to evaluate the behavior of these stationary phases, relating the retention factor of selected probes to specific chromatographic interactions. A five-component test mixture, consisting of a group of drug-like molecules was separated isocratically. The results show that the C18-amide stationary phase provided a combination of interactions contributing to the retention of the probe compounds. The hydrophobic interactions are favorable; however, the electron donating ability of the embedded amide group shows a large positive interaction. Under the chromatographic conditions used, the C18-amide column was able to provide baseline resolution of all the drug-like probe compounds in a text mixture, while the other columns tested did not. PMID:27396487

20 CFR 404.722 - Rebuttal of a presumption of death.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Rebuttal of a presumption of death. 404.722... DISABILITY INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.722 Rebuttal of a presumption of death. A presumption of death made based on § 404.721(b) can be rebutted by evidence that...

Oxidative activation of dihydropyridine amides to reactive acyl donors

DEFF Research Database (Denmark)

Funder, Erik Daa; Trads, Julie Brender; Gothelf, Kurt Vesterager

2015-01-01

Amides of 1,4-dihydropyridine (DHP) are activated by oxidation for acyl transfer to amines, alcohols and thiols. In the reduced form the DHP amide is stable towards reaction with amines at room temperature. However, upon oxidation with DDQ the acyl donor is activated via a proposed pyridinium...

Nine of 16 stereoisomeric polyhydroxylated proline amides are potent β-N-acetylhexosaminidase inhibitors.

Science.gov (United States)

Ayers, Benjamin J; Glawar, Andreas F G; Martínez, R Fernando; Ngo, Nigel; Liu, Zilei; Fleet, George W J; Butters, Terry D; Nash, Robert J; Yu, Chu-Yi; Wormald, Mark R; Nakagawa, Shinpei; Adachi, Isao; Kato, Atsushi; Jenkinson, Sarah F

2014-04-18

All 16 stereoisomeric N-methyl 5-(hydroxymethyl)-3,4-dihydroxyproline amides have been synthesized from lactones accessible from the enantiomers of glucuronolactone. Nine stereoisomers, including all eight with a (3R)-hydroxyl configuration, are low to submicromolar inhibitors of β-N-acetylhexosaminidases. A structural correlation between the proline amides is found with the ADMDP-acetamide analogues bearing an acetamidomethylpyrrolidine motif. The proline amides are generally more potent than their ADMDP-acetamide equivalents. β-N-Acetylhexosaminidase inhibition by an azetidine ADMDP-acetamide analogue is compared to an azetidine carboxylic acid amide. None of the amides are good α-N-acetylgalactosaminidase inhibitors.

20 CFR 404.1501 - Scope of subpart.

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2010-04-01

... rules on evaluating disability if you are filing a new application are stated in §§ 404.1520 through 404... fail to follow treatment that is expected to restore your ability to work, and how we apply the rule... this part. We have organized the rules in the following way. (a) We define general terms, then discuss...

Determination of Structures and Energetics of Small- and Medium-Sized One-Carbon-Bridged Twisted Amides using ab Initio Molecular Orbital Methods: Implications for Amidic Resonance along the C-N Rotational Pathway.

Science.gov (United States)

Szostak, Roman; Aubé, Jeffrey; Szostak, Michal

2015-08-21

Twisted amides containing nitrogen at the bridgehead position are attractive practical prototypes for the investigation of the electronic and structural properties of nonplanar amide linkages. Changes that occur during rotation around the N-C(O) axis in one-carbon-bridged twisted amides have been studied using ab initio molecular orbital methods. Calculations at the MP2/6-311++G(d,p) level performed on a set of one-carbon-bridged lactams, including 20 distinct scaffolds ranging from [2.2.1] to [6.3.1] ring systems, with the C═O bond on the shortest bridge indicate significant variations in structures, resonance energies, proton affinities, core ionization energies, frontier molecular orbitals, atomic charges, and infrared frequencies that reflect structural changes corresponding to the extent of resonance stabilization during rotation along the N-C(O) axis. The results are discussed in the context of resonance theory and activation of amides toward N-protonation (N-activation) by distortion. This study demonstrates that one-carbon-bridged lactams-a class of readily available, hydrolytically robust twisted amides-are ideally suited to span the whole spectrum of the amide bond distortion energy surface. Notably, this study provides a blueprint for the rational design and application of nonplanar amides in organic synthesis. The presented findings strongly support the classical amide bond resonance model in predicting the properties of nonplanar amides.

Isentropic compressibilities of (amide + water) mixtures: A comparative study

International Nuclear Information System (INIS)

Papamatthaiakis, Dimitris; Aroni, Fryni; Havredaki, Vasiliki

2008-01-01

The density and ultrasonic velocity of aqueous solutions of formamide (FA), N-methylformamide (NMF), N,N-dimethylformamide (DMF), N,N-dimethylacetamide (DMA), pyrrolidin-2-one (PYR), N-methyl-2-pyrrolidinone (NMP), and their pure phases have been measured at 298.15 K and atmospheric pressure. Densities and ultrasonic velocities in pure amides have been also measured at the temperature range 288.15 K to 308.15 K for the computation of their thermal expansivities. Isentropic compressibility, intermolecular free length, relative association, apparent molar compressibility, as well as the excess quantities, ultrasonic velocity, isentropic compressibility, intermolecular free length, have been evaluated and fitted to the Redlich-Kister type equation. The deviation from ideal mixing law in ultrasonic velocity is positive while the deviations in isentropic compressibility and intermolecular free length are negative for all (amide + water) mixtures. This behavior reveals the nature and the magnitude of intermolecular interactions between the amide-water molecules. The sequence of superimposed curves of various ultrasonic parameters vs. the amide mole fraction is related to the strength of interactions between the unlike molecules and the role of -CH 3 substitution in amides. The comparison of ultrasonic to volumetric properties reveals differences on the position of the extrema and their relation with the degree of substitution while the interpretation of these differences is discussed. Two different approaches on the computation of excess functions, applied in this work, brought out a difference in the magnitude of deviations and a partial reversion to the sequence of amides curves suggesting a different estimation in terms of deviations from ideal mixing law and therefore of the relative molecular interactions

Copper(II)-catalyzed amidations of alkynyl bromides as a general synthesis of ynamides and Z-enamides. An intramolecular amidation for the synthesis of macrocyclic ynamides.

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Zhang, Xuejun; Zhang, Yanshi; Huang, Jian; Hsung, Richard P; Kurtz, Kimberly C M; Oppenheimer, Jossian; Petersen, Matthew E; Sagamanova, Irina K; Shen, Lichun; Tracey, Michael R

2006-05-26

A general and efficient method for the coupling of a wide range of amides with alkynyl bromides is described here. This novel amidation reaction involves a catalytic protocol using copper(II) sulfate-pentahydrate and 1,10-phenanthroline to direct the sp-C-N bond formation, leading to a structurally diverse array of ynamides including macrocyclic ynamides via an intramolecular amidation. Given the surging interest in ynamide chemistry, this atom economical synthesis of ynamides should invoke further attention from the synthetic organic community.

1H NMR spectra. Part 30(+): 1H chemical shifts in amides and the magnetic anisotropy, electric field and steric effects of the amide group.

Science.gov (United States)

Abraham, Raymond J; Griffiths, Lee; Perez, Manuel

2013-03-01

The (1)H spectra of 37 amides in CDCl(3) solvent were analysed and the chemical shifts obtained. The molecular geometries and conformational analysis of these amides were considered in detail. The NMR spectral assignments are of interest, e.g. the assignments of the formamide NH(2) protons reverse in going from CDCl(3) to more polar solvents. The substituent chemical shifts of the amide group in both aliphatic and aromatic amides were analysed using an approach based on neural network data for near (≤3 bonds removed) protons and the electric field, magnetic anisotropy, steric and for aromatic systems π effects of the amide group for more distant protons. The electric field is calculated from the partial atomic charges on the N.C═O atoms of the amide group. The magnetic anisotropy of the carbonyl group was reproduced with the asymmetric magnetic anisotropy acting at the midpoint of the carbonyl bond. The values of the anisotropies Δχ(parl) and Δχ(perp) were for the aliphatic amides 10.53 and -23.67 (×10(-6) Å(3)/molecule) and for the aromatic amides 2.12 and -10.43 (×10(-6) Å(3)/molecule). The nitrogen anisotropy was 7.62 (×10(-6) Å(3)/molecule). These values are compared with previous literature values. The (1)H chemical shifts were calculated from the semi-empirical approach and also by gauge-independent atomic orbital calculations with the density functional theory method and B3LYP/6-31G(++) (d,p) basis set. The semi-empirical approach gave good agreement with root mean square error of 0.081 ppm for the data set of 280 entries. The gauge-independent atomic orbital approach was generally acceptable, but significant errors (ca. 1 ppm) were found for the NH and CHO protons and also for some other protons. Copyright © 2013 John Wiley & Sons, Ltd.

Synthesis and uses of the amides extractants

International Nuclear Information System (INIS)

Musikas, C.

1989-01-01

Carboxylic acids amides (RR'NCOCR''), malonic acid amides (RR'NCOCH 2 CONRR') and substituted malonic acid amides (RR'NCOCHR'' CONRR') are extractants of the actinides ions. They show good prospects for use in the nuclear industry because of their complete incinerability. In addition, their degradation products interfer much more less in the separation processes when compared with organophosphorus extractants. The synthesis and the purification of two typical extractants: N-N-di (2-ethylhexyl) butyramide (C 4 H 9 CHC 2 H 5 CH 2 ) 2 NCOC 3 H 7 and N,N'-dimethyl N,N'-dibutyl 1.3 diamide 2(3-oxa)nonyl propane (C 4 H 9 CH 3 NCO) 2 CHC 2 H 4 OC 6 H 13 are described. The purities, checked by NMR, elemental analysis and potentiometry, were in the range 98 to 99.5%. The yields for monoamides were in the range 70 to 90% and for the diamides 20 to 40%. 3 figs, 3 tabs, 10 refs

Inhibition of sphingosine kinase-2 in a murine model of lupus nephritis.

Directory of Open Access Journals (Sweden)

Ashley J Snider

Full Text Available Sphingosine-1-phosphate (S1P, a potent bioactive lipid, is emerging as a central mediator in inflammation and immune responses. We have previously implicated S1P and its synthetic enzyme sphingosine kinase (SK in inflammatory and autoimmune disorders, including inflammatory bowel disease and rheumatoid arthritis. Generation of S1P requires phosphorylation of sphingosine by SK, of which there are two isoforms. Numerous studies have implicated SK1 in immune cell trafficking, inflammation and autoimmune disorders. In this study, we set out to determine the role of SK and S1P in lupus nephritis (LN. To this end, we examined S1P and dihydro-S1P (dh-S1P levels in serum and kidney tissues from a mouse model of LN. Interestingly dh-S1P was significantly elevated in serum and kidney tissue from LN mice, which is more readily phosphorylated by SK2. Therefore, we employed the use of the specific SK2 inhibitor, ABC294640 in our murine model of LN. Treatment with ABC294640 did not improve vascular or interstitial pathology associated with LN. However, mice treated with the SK2 inhibitor did demonstrate decreases in glomerular pathology and accumulation of B and T cells in the spleen these were not statistically different from lpr mice treated with vehicle. LN mice treated with ABC294640 did not have improved urine thromboxane levels or urine proteinuria measurements. Both S1P and dh-S1P levels in circulation were significantly reduced with ABC294640 treatment; however, dh-S1P was actually elevated in kidneys from LN mice treated with ABC294640. Together these data demonstrate a role for SKs in LN; however, they suggest that inhibition of SK1 or perhaps both SK isoforms would better prevent elevations in S1P and dh-S1P and potentially better protect against LN.

Designing of molecular architecture, synthesis and properties of the next generation of state-of-the-art high-performance thermoplastic fluoro-poly(ether amide)s, (6F-PEA), fluoro-poly(ether amide-imide)s (6F-PEAI), and their co-polymers

International Nuclear Information System (INIS)

Vora, Rohitkumar H.

2010-01-01

Graphical abstract: Molecular architectures of next generation of high-performance advanced heat stable thermoplastic polymer compositions of fluoro-poly(ether amide) (6F-PA) and fluoro-poly(ether amide-imide) (6F-PEAI) having di-ether diamines moieties were designed based on fluoro-polyimide (6F-PI) chemistry, and polymers were synthesized using two novel state-of-the-art 2-(3,4'-carboxy anhydrophenyl-2(4-carboxyphenyl) hexafluoropropane (6FTMA) and 2,2'-bis(4-carboxyphenyl) hexafluropropane (6F-DAc) monomers. Their copolymers: fluoro-copoly(ether amide-(ether imide))s (6F-co(PEA-PEI)), fluoro-copoly(ether amide-(ether amide-imide))s (6F-co(PEA-PEAI)) and fluoro-copoly(ether amide-imide-(ether imide))s (6F-co(PEAI-PEI)) were also designed and synthesized using 2,2'-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydrides (6FDA) for the advanced aerospace, defense and industrial engineering applications. -- Abstract: A new generation of high-performance polymers for the advanced industrial, aerospace and defense engineering applications are being investigated in the academic and industrial research institutions throughout the world. Fluoro-polyimides (6F-PI) are one such sub-class of high-performance polyimide polymers. In the last 25 years a number of fluoro-polyimides have been reported but only a handful of them have been commercialized. This paper describes the 6F-polyimide chemistry-based designed molecular architectures and synthesis of two series of next generation of heat stable thermoplastic polymer compositions having di-ether diamines moieties, such as fluoro-poly(ether amide) (6F-PA) and fluoro-poly(ether amide-imide) (6F-PEAI) using the novel state-of-the-art 2-(3,4'-carboxy anhydrophenyl-2(4-carboxyphenyl) hexafluoropropane (6F-TMA) and 2,2'-bis(4-carboxyphenyl) hexafluoropropane (6F-DAc) monomers. Their co-polymers: fluoro-copoly(ether amide-(ether imide))s (6F-co(PEA-PEI)), fluoro-copoly(ether amide-(ether amide-imide))s (6F-co(PEA-PEAI)) and fluoro

Molecular modeling studies of 1,4-dihydro-4-oxoquinoline ribonucleosides with anti-HSV-1 activity

Science.gov (United States)

Yoneda, Julliane Diniz; Albuquerque, Magaly Girão; Leal, Kátia Zaccur; Seidl, Peter Rudolf; de Alencastro, Ricardo Bicca

2011-12-01

Eight human herpes viruses ( e.g., herpes simplex, varicella-zoster, Epstein-Barr, cytomegalovirus, Kaposi's sarcoma) are responsible for several diseases from sub-clinic manifestations to fatal infections, mostly in immunocompromised patients. The major limitations of the currently available antiviral drug therapy are drug resistance, host toxicity, and narrow spectrum of activity. However, some non-nucleoside 1,4-dihydro-4-oxoquinoline derivatives ( e.g., PNU-183792) [4] shows broad spectrum antiviral activity. We have developed molecular modeling studies, including molecular docking and molecular dynamics simulations, based on a model proposed by Liu and co-workers [14] in order to understand the mechanism of action of a 6-chloro substituted 1,4-dihydro-4-oxoquinoline ribonucleoside, synthesized by the synthetic group, which showed anti-HSV-1 activity [9]. The molecular docking simulations confirmed the Liu's model showing that the ligand needs to dislocate template residues from the active site in order to interact with the viral DNA polymerase enzyme, reinforcing that the interaction with the Val823 residue is pivotal for the inhibitory activity of non-nucleoside 1,4-dihydro-4-oxoquinoline derivatives, such as PNU-183792, with the HSV-1. The molecular dynamics simulations showed that the 6-chloro-benzyl group of PNU-183792 maintains its interaction with residues of the HSV-1 DNA polymerase hydrophobic pocket, considered important according to the Liu's model, and also showed that the methyl group bounded to the nitrogen atom from PNU-183792 is probably contributing to a push-pull effect with the carbonyl group.

48 CFR 15.404-1 - Proposal analysis techniques.

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2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Proposal analysis techniques. 15.404-1 Section 15.404-1 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION... assistance of other experts to ensure that an appropriate analysis is performed. (6) Recommendations or...

Biosynthesis, degradation, and pharmacological importance of the fatty acid amides

Science.gov (United States)

Farrell, Emma K.; Merkler, David J.

2008-01-01

The identification of two biologically active fatty acid amides, N-arachidonoylethanolamine (anandamide) and oleamide, has generated a great deal of excitement and stimulated considerable research. However, anandamide and oleamide are merely the best-known and best-understood members of a much larger family of biologically-occurring fatty acid amides. In this review, we will outline which fatty acid amides have been isolated from mammalian sources, detail what is known about how these molecules are made and degraded in vivo, and highlight their potential for the development of novel therapeutics. PMID:18598910

Interpreting the cross-sectional flow field in a river bank based on a genetic-algorithm two-dimensional heat-transport method (GA-VS2DH)

Science.gov (United States)

Su, Xiaoru; Shu, Longcang; Chen, Xunhong; Lu, Chengpeng; Wen, Zhonghui

2016-12-01

Interactions between surface waters and groundwater are of great significance for evaluating water resources and protecting ecosystem health. Heat as a tracer method is widely used in determination of the interactive exchange with high precision, low cost and great convenience. The flow in a river-bank cross-section occurs in vertical and lateral directions. In order to depict the flow path and its spatial distribution in bank areas, a genetic algorithm (GA) two-dimensional (2-D) heat-transport nested-loop method for variably saturated sediments, GA-VS2DH, was developed based on Microsoft Visual Basic 6.0. VS2DH was applied to model a 2-D bank-water flow field and GA was used to calibrate the model automatically by minimizing the difference between observed and simulated temperatures in bank areas. A hypothetical model was developed to assess the reliability of GA-VS2DH in inverse modeling in a river-bank system. Some benchmark tests were conducted to recognize the capability of GA-VS2DH. The results indicated that the simulated seepage velocity and parameters associated with GA-VS2DH were acceptable and reliable. Then GA-VS2DH was applied to two field sites in China with different sedimentary materials, to verify the reliability of the method. GA-VS2DH could be applied in interpreting the cross-sectional 2-D water flow field. The estimates of horizontal hydraulic conductivity at the Dawen River and Qinhuai River sites are 1.317 and 0.015 m/day, which correspond to sand and clay sediment in the two sites, respectively.

20 CFR 404.1616 - Medical or psychological consultants.

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2010-04-01

..., psychological experts employed by or under contract with the State agencies must meet the qualification... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Medical or psychological consultants. 404... Determination Function § 404.1616 Medical or psychological consultants. (a) What is a medical consultant? A...

48 CFR 2115.404-71 - Profit analysis factors.

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2010-10-01

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20 CFR 404.1619 - Quick disability determination process.

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2010-04-01

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20 CFR 404.989 - Good cause for reopening.

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2010-04-01

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20 CFR 404.1012 - Work excluded from employment.

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2010-04-01

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D/H Ratios of Marine Lipids from Santa Barbara Basin Sediments

Science.gov (United States)

Li, C.; Sessions, A.; Kinnaman, F.; Valentine, D.

2006-12-01

With the early successful application of compound-specific D/H analyses to reconstructing paleoclimate records, most subsequent research has focused on understanding organic D/H fractionations in terrestrial environments. Thus we still know very little about natural D/H variations in lipids derived from marine organisms, or indeed if any such variations exist. We have therefore conducted an extensive survey of lipid δD values in two sediment cores collected in the Santa Barbara Basin. These data allow us to examine 1) variations between the lipid products of different organisms, 2) down-core variations due to diagenesis, and 3) differences between sediments deposited under oxic or anoxic bottom-water conditions. Our results show that considerable D/H variability between different marine products does exist. δD values of n-alkanes (except n-C35) ranged from -94 to -175 ‰, and exhibit a systematic offset between odd and even carbon numbers. The δD value of n-C35 is anomalous at -220‰. Isotopic compositions of n-alkanols range from -126 to -221 , with a pattern of progressive D depletion with chain length observed for free alcohols. δD values of sterols range from -215 to -309‰, and show no systematic variation with carbon number. However, offsets do exist between the saturated, monounsaturated, and diunsaturated sterols. Sterols as a group are strongly depleted in D relative to the bacterial-derived hopanols (-166 to -232‰), suggesting possible differences in biosynthetic fractionations by bacteria and eukaryotes. Phytol and phytane δD values roughly ranged from -360 to -410‰, while phytanol was systematically enriched at -300 to -340‰. Fatty acids encompassed much greater variability, with dD values ranging from -55 to -270‰. In general, saturated fatty acids are enriched in D relative to their unsaturated analogs, and long-chain (>C24) acids are enriched in D relative to short-chain (

30 CFR 71.404 - Application for waiver of surface facilities requirements.

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2010-07-01

... requirements. 71.404 Section 71.404 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY HEALTH STANDARDS-SURFACE COAL MINES AND SURFACE WORK AREAS... Facilities at Surface Coal Mines § 71.404 Application for waiver of surface facilities requirements. (a...

Biosynthesis of amidated joining peptide from pro-adrenocorticotropin-endorphin

Energy Technology Data Exchange (ETDEWEB)

Cullen, E.I.; Mains, R.E. (Johns Hopkins Univ. School of Medicine, Baltimore, MD (USA))

1987-09-01

Joining peptide is the major alpha-amidated product of pro-ACTH/endorphin (PAE) in AtT-20 corticotropic tumor cells. To study intracellular joining peptide synthesis, affinity purified antibodies directed against gamma-MSH, joining peptide, and ACTH were used to immunoprecipitate extracts from biosynthetically labeled AtT-20 cells. Immunoprecipitates were analyzed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and by tryptic peptide mapping on HPLC. In steady labeling experiments, radioactivity in amidated joining peptide (JP) increased roughly linearly with time, in the manner of a final product, whereas radioactivity associated with PAE (1-94)NH2 reached a constant value after 2-4 h, indicating that PAE(1-94)NH2 is an intermediate in the biosynthesis of JP. Radioactivity appeared in ACTH(1-39) well before JP, consistent with a cleavage order in which ACTH is cleaved from PAE(1-95) before JP sequences are cleaved from PAE(1-74). This conclusion was supported by tryptic peptide analyses of immunoprecipitates, which indicated that less than 5% of JP-related material is cleaved from PAE(1-74) before being cleaved from ACTH-related sequences. After a pulse label, radioactivity in PAE(1-94)NH2 reached a peak value after 1 h of chase and declined with a half-life of less than 1 h. Amidated JP increased to a constant level after 2 h of chase. Enough radiolabeled PAE(1-94)NH2 was detected to account for about half of the radioactivity found in amidated JP, indicating that about half of JP-related material is first cleaved from PAE(1-95) before being amidated. This result was corroborated using HPLC purification to determine both amidated and glycine-extended forms of JP.

Biosynthesis of amidated joining peptide from pro-adrenocorticotropin-endorphin

International Nuclear Information System (INIS)

Cullen, E.I.; Mains, R.E.

1987-01-01

Joining peptide is the major alpha-amidated product of pro-ACTH/endorphin (PAE) in AtT-20 corticotropic tumor cells. To study intracellular joining peptide synthesis, affinity purified antibodies directed against gamma-MSH, joining peptide, and ACTH were used to immunoprecipitate extracts from biosynthetically labeled AtT-20 cells. Immunoprecipitates were analyzed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and by tryptic peptide mapping on HPLC. In steady labeling experiments, radioactivity in amidated joining peptide (JP) increased roughly linearly with time, in the manner of a final product, whereas radioactivity associated with PAE (1-94)NH2 reached a constant value after 2-4 h, indicating that PAE(1-94)NH2 is an intermediate in the biosynthesis of JP. Radioactivity appeared in ACTH(1-39) well before JP, consistent with a cleavage order in which ACTH is cleaved from PAE(1-95) before JP sequences are cleaved from PAE(1-74). This conclusion was supported by tryptic peptide analyses of immunoprecipitates, which indicated that less than 5% of JP-related material is cleaved from PAE(1-74) before being cleaved from ACTH-related sequences. After a pulse label, radioactivity in PAE(1-94)NH2 reached a peak value after 1 h of chase and declined with a half-life of less than 1 h. Amidated JP increased to a constant level after 2 h of chase. Enough radiolabeled PAE(1-94)NH2 was detected to account for about half of the radioactivity found in amidated JP, indicating that about half of JP-related material is first cleaved from PAE(1-95) before being amidated. This result was corroborated using HPLC purification to determine both amidated and glycine-extended forms of JP

Three-dimensional quantum mechanical studies of D+H2 → HD+H reactive scattering. II

International Nuclear Information System (INIS)

Choi, B.H.; Tang, K.T.

1975-01-01

Three-dimensional quantum mechanical calculations are carried out for the reactive scattering of D+H 2 →DH+H on the Yates--Lester potential surface. The differential and total cross sections as well as the S-matrix elements are obtained and are compared with the corresponding results obtained on the Porter--Karplus potential surface. The differential cross sections and the distributions over final angular momentum states are in much better agreement with the experimental measurements than the previous results obtained on the Porter--Karplus surface. However, the calculated threshold energy for the reaction seems too high whereas the threshold on the Porter--Karplus potential seems too low. These dynamic attributes are discussed in terms of the two-body potentials between the atom and the molecule

Effect of amides on lithium tetraborate solubility

Energy Technology Data Exchange (ETDEWEB)

Tsekhanskij, R S; Skvortsov, V C; Molodkin, A K; Sadetdi-pov, Sh V [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (USSR); Universitet Druzhby Narodov, Moscow (USSR))

1983-03-01

Using the methods of solubility, densi- and refractometry at 25 deg C, it has been established that the systems lithium tetraborate-formamide (acetamide, dimethyl-formamide)-water are of a simple eutonic type. Amides decrease the salt solubility. Lyotropic effect, as calculated for molar concentrations (-Lsub(M)) relative to the absolute value, increases from formamide to dimethyl-formamide. The sequence is determined by the fact that, when there is one or two hydrophilic methyl groups in amide molecules which are in contact with tetraborate, they decrease the hydration energy of lithium cations.

Effect of amides on sodium tetraborate solubility

International Nuclear Information System (INIS)

Tsekhanskij, R.S.; Skvortsov, V.G.; Molodkin, A.K.; Sadetdinov, Sh.V.

1986-01-01

Methods of solubility and refractometry at 25 deg C were applied to investigate sodium tetraborate - formamide (dimethylformamide) - water systems. It is stated that they are of simple eutonic type as well as the earlier described sodium tetraborate-acetamide-water system. Amides reduce solubility of the salt. The effect of contact interaction between dissolved substances on salt cation hydration and thus on the value of liotropic amide effect is confirmed. This value is found to be also depend on the number of molecules of coordination water in the initial crystalline hydrate

Effect of amides on lithium tetraborate solubility

International Nuclear Information System (INIS)

Tsekhanskij, R.S.; Skvortsov, V.C.; Molodkin, A.K.; Sadetdi- pov, Sh.V.

1983-01-01

Using the methods of solubility, densi- and refractometry at 25 deg C, it has been established that the systemS lithium tetraborate-formamide (acetamide, dimethyl-formamide)-water are of a simple eutonic type. Amides decrease the salt solubility. Lyotropic effect, as calculated for molar concentrations (-Lsub(M)) relative to the absolute value, increases from formamide to dimethylformamide. The sequence is determined by the fact that, when there is one or two hydrophilic methyl groups in amide molecules which are in contact with tetraborate, they decrease the hydration energy of lithium cations

Effect of amides on sodium tetraborate solubility

Energy Technology Data Exchange (ETDEWEB)

Tsekhanskij, R S; Skvortsov, V G; Molodkin, A K; Sadetdinov, Sh V

1986-11-01

Methods of solubility and refractometry at 25 deg C were applied to investigate sodium tetraborate - formamide (dimethylformamide) - water systems. It is stated that they are of simple eutonic type as well as the earlier described sodium tetraborate-acetamide-water system. Amides reduce solubility of the salt. The effect of contact interaction between dissolved substances on salt cation hydration and thus on the value of liotropic amide effect is confirmed. This value is found to be also depend on the number of molecules of coordination water in the initial crystalline hydrate.

20 CFR 404.1675 - Finding of substantial failure.

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2010-04-01

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20 CFR 404.220 - Average-monthly-wage method.

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2010-04-01

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20 CFR 404.952 - Consolidated hearing before an administrative law judge.

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2010-04-01

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48 CFR 14.404-4 - Restrictions on disclosure of descriptive literature.

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2010-10-01

... of descriptive literature. 14.404-4 Section 14.404-4 Federal Acquisition Regulations System FEDERAL... Contract 14.404-4 Restrictions on disclosure of descriptive literature. When a bid is accompanied by descriptive literature (as defined in 2.101), and the bidder imposes a restriction that prevents the public...

TROSY of side-chain amides in large proteins

Science.gov (United States)

Liu, Aizhuo; Yao, Lishan; Li, Yue; Yan, Honggao

2012-01-01

By using the mixed solvent of 50% H2O/50% D2O and employing deuterium decoupling, TROSY experiments exclusively detect NMR signals from semideuterated isotopomers of carboxamide groups with high sensitivities for proteins with molecular weights up to 80 kDa. This isotopomer-selective strategy extends TROSY experiments from exclusively detecting backbone to both backbone and side-chain amides, particularly in large proteins. Because of differences in both TROSY effect and dynamics between 15N–HE{DZ} and 15N–HZ{DE} isotopomers of the same carboxamide, the 15N transverse magnetization of the latter relaxes significantly faster than that of the former, which provides a direct and reliable stereospecific distinction between the two configurations. The TROSY effects on the 15N–HE{DZ} isotopomers of side-chain amides are as significant as on backbone amides. PMID:17347000

Development of a CHP/DH system for the new town of Parand: An opportunity to mitigate global warming in Middle East

International Nuclear Information System (INIS)

Mostafavi Tehrani, S. Saeed; Saffar-Avval, M.; Mansoori, Z.; Behboodi Kalhori, S.; Abbassi, A.; Dabir, B.; Sharif, M.

2013-01-01

As a result of the worldwide concern about global warming, projects that target reduction of greenhouse gas emissions have gained a lot of interest. The idea of this paper is to recover exhaust hot gases of an existing gas turbine power plant to meet dynamic thermal energy requirements of a residential area (the new town of Parand) situated in the suburb of Tehran, and also use the rest of the heat source potential to feed a steam turbine cycle. In close proximity to this town, there are two GT plants: Parand (954 MW e ) and Rudeshur (790 MW e ). For handling the CHP/STC/DH plant, two methods are considered along with thermal load following operation strategy: maximum power generation (MPG) and minimum fuel consumption (MFC). Then, the alternatives are compared in terms of annual PES, CO 2 abatement and NPV. For the best design from environmental viewpoint (Parand CHP-B), PES, CO 2 abatement and NPV are calculated to be 27.31%, 2.56 million tons and 1491 million dollar, respectively. -- Highlights: • To propose a technical and financial methodology to evaluate CHP/DH projects. • To address environmental advantages of CHPs with conventional plants. • To present practical operation strategies to increase benefits of CHP/DH plants. • To report/compare benefits of various CHP/DH alternatives for a case study in Iran. • To conduct a comprehensive energy analysis of proposed CHP/DH design options

Measurement of 8-oxo-7,8-dihydro-2'-deoxyguanosine and 8-oxo-7,8-dihydro-guanosine in cerebrospinal fluid by ultra performance liquid chromatography-tandem mass spectrometry.

Science.gov (United States)

Weimann, Allan; Simonsen, Anja Hviid; Poulsen, Henrik E

2018-01-15

Increased levels of nucleosides modified by oxidation in human cerebrospinal fluid (CSF) have several times been reported in Alzheimer patients and patients suffering from Parkinson's disease. The focus has especially been on nucleosides containing the 8-hydroxylation of guanine. Only few reports on quantification of the ribonucleoside 8-oxo-7,8-dihydro-guanosine (8oxoGuo) in CSF have been published, whereas more have been published on the quantification of the deoxy-ribonucleoside 8-oxo-7,8-dihydro-2'-deoxyguanosine (8oxodGuo). The reports on the quantification of 8oxodGuo concentrations in CSF report absolute concentrations varying by a factor >10 5 in healthy humans. This could indicate that there is a serious specificity problem in some of the methods. In this paper an isotope-dilution UPLC-MS/MS method with high specificity and sensitivity for the quantification of 8oxoGuo and 8oxodGuo in CSF is presented. LLOQ for the two analytes is determined to 4pM and 2pM, respectively. The calibration curves has been tested to be linear in the range from 4 to 3,000pM for 8oxoGuo and between 2 and 3,000pM for 8oxodGuo. Using a weighting factor of 1/x the correlation coefficient "r" for both analytes is >0.999. Copyright © 2017 Elsevier B.V. All rights reserved.

Insecticidal, repellent and fungicidal properties of novel trifluoromethylphenyl amides.

Science.gov (United States)

Tsikolia, Maia; Bernier, Ulrich R; Coy, Monique R; Chalaire, Katelyn C; Becnel, James J; Agramonte, Natasha M; Tabanca, Nurhayat; Wedge, David E; Clark, Gary G; Linthicum, Kenneth J; Swale, Daniel R; Bloomquist, Jeffrey R

2013-09-01

Twenty trifluoromethylphenyl amides were synthesized and evaluated as fungicides and as mosquito toxicants and repellents. Against Aedes aegypti larvae, N-(2,6-dichloro-4-(trifluoromethyl)phenyl)-3,5-dinitrobenzamide (1e) was the most toxic compound (24 h LC50 1940 nM), while against adults N-(2,6-dichloro-4-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide (1c) was most active (24 h LD50 19.182 nM, 0.5 μL/insect). However, the 24 h LC50 and LD50 values of fipronil against Ae. aegypti larvae and adults were significantly lower: 13.55 nM and 0.787 × 10(-4) nM, respectively. Compound 1c was also active against Drosophila melanogaster adults with 24 h LC50 values of 5.6 and 4.9 μg/cm(2) for the Oregon-R and 1675 strains, respectively. Fipronil had LC50 values of 0.004 and 0.017 μg/cm(2) against the two strains of D. melanogaster, respectively. In repellency bioassays against female Ae. aegypti, 2,2,2-trifluoro-N-(2-(trifluoromethyl)phenyl)acetamide (4c) had the highest repellent potency with a minimum effective dosage (MED) of 0.039 μmol/cm(2) compared to DEET (MED of 0.091 μmol/cm(2)). Compound N-(2-(trifluoromethyl)phenyl)hexanamide (4a) had an MED of 0.091 μmol/cm(2) which was comparable to DEET. Compound 4c was the most potent fungicide against Phomopsis obscurans. Several trends were discerned between the structural configuration of these molecules and the effect of structural changes on toxicity and repellency. Para- or meta- trifluoromethylphenyl amides with an aromatic ring attached to the carbonyl carbon showed higher toxicity against Ae. aegypti larvae, than ortho- trifluoromethylphenyl amides. Ortho- trifluoromethylphenyl amides with trifluoromethyl or alkyl group attached to the carbonyl carbon produced higher repellent activity against female Ae. aegypti and Anopheles albimanus than meta- or para- trifluoromethylphenyl amides. The presence of 2,6-dichloro- substitution on the phenyl ring of the amide had an influence on larvicidal and repellent

Synthesis of novel naphthoquinone aliphatic amides and esters and their anticancer evaluation.

Science.gov (United States)

Kongkathip, Boonsong; Akkarasamiyo, Sunisa; Hasitapan, Komkrit; Sittikul, Pichamon; Boonyalai, Nonlawat; Kongkathip, Ngampong

2013-02-01

Fourteen new naphthoquinone aliphatic amides and seventeen naphthoquinone aliphatic esters were synthesized in nine to ten steps from 1-hydroxy-2-naphthoic acid with 9-25% overall yield for the amides, and 16-21% overall yield for the esters. The key step of the amide synthesis is a coupling reaction between amine and various aliphatic acids using 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMTMM) as a coupling agent while for the ester synthesis, DCC/DMAP or CDI was used as the coupling reagent between aliphatic acids and naphthoquinone alcohol. Both naphthoquinone amides and esters were evaluated for their anticancer activity against KB cells. It was found that naphthoquinone aliphatic amides showed stronger anticancer activity than those of the esters when the chains are longer than 7-carbon atoms. The optimum chain of amides is expected to be 16-carbon atoms. In addition, naphthoquinone aliphatic esters with α-methyl on the ester moiety possessed much stronger anticancer activity than the straight chains. Decatenation assay revealed that naphthoquinone amide with 16-carbon atoms chain at 15 μM and 20 μM can completely inhibit hTopoIIα activity while at 10 μM the enzyme activity was moderately inhibited. Molecular docking result also showed the same trend as the cytotoxicity and decatenation assay. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

20 CFR 404.1566 - Work which exists in the national economy.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Work which exists in the national economy. 404.1566 Section 404.1566 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Determining Disability and Blindness Vocational Considerations § 404.1566 Work which exists in the national...

42 CFR 50.404 - What disputes are covered by these procedures?

Science.gov (United States)

2010-10-01

... 42 Public Health 1 2010-10-01 2010-10-01 false What disputes are covered by these procedures? 50.404 Section 50.404 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF HEALTH AND HUMAN SERVICES GRANTS POLICIES OF GENERAL APPLICABILITY Public Health Service Grant Appeals Procedure § 50.404 What disputes are...

48 CFR 915.404-4-71-1 - General.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false General. 915.404-4-71-1 Section 915.404-4-71-1 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND...) Reward contractors based on the complexity of work; (2) Reward contractors who demonstrate and establish...

20 CFR 404.1212 - Police officers and firefighters.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Police officers and firefighters. 404.1212... May Be Covered § 404.1212 Police officers and firefighters. (a) General. For Social Security coverage purposes under section 218 of the Act, a police officer's or firefighter's position is any position so...

Metal-Free N-Arylation of Secondary Amides at Room Temperature

OpenAIRE

Tinnis, Fredrik; Stridfeldt, Elin; Lundberg, Helena; Adolfsson, Hans; Olofsson, Berit

2015-01-01

The arylation of secondary acyclic amides has been achieved with diaryliodonium salts under mild and metal-free conditions. The methodology has a wide scope, allows synthesis of tertiary amides with highly congested aryl moieties, and avoids the regioselectivity problems observed in reactions with (diacetoxyiodo)benzene.

12 CFR 404.21 - Submission of social security and passport numbers.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Submission of social security and passport numbers. 404.21 Section 404.21 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.21 Submission of social security and...

Synthesis and characterization of ester and amide derivatives of titanium(IV) carboxymethylphosphonate

International Nuclear Information System (INIS)

Melánová, Klára; Beneš, Ludvík; Trchová, Miroslava; Svoboda, Jan; Zima, Vítězslav

2013-01-01

A set of layered ester and amide derivatives of titanium(IV) carboxymethylphosphonate was prepared by solvothermal treatment of amorphous titanium(IV) carboxymethylphosphonate with corresponding 1-alkanols, 1,ω-alkanediols, 1-aminoalkanes, 1,ω-diaminoalkanes and 1,ω-amino alcohols and characterized by powder X-ray diffraction, IR spectroscopy and thermogravimetric analysis. Whereas alkyl chains with one functional group form bilayers tilted to the layers, 1,ω-diaminoalkanes and most of 1,ω-alkanediols form bridges connecting the adjacent layers. In the case of amino alcohols, the alkyl chains form bilayer and either hydroxyl or amino group is used for bonding. This simple method for the synthesis of ester and amide derivatives does not require preparation of acid chloride derivative as a precursor or pre-intercalation with alkylamines and can be used also for the preparation of ester and amide derivatives of titanium carboxyethylphosphonate and zirconium carboxymethylphosphonate. - Graphical abstract: Ester and amide derivatives of layered titanium carboxymethylphosphonate were prepared by solvothermal treatment of amorphous solid with alkanol or alkylamine. - Highlights: • Ester and amide derivatives of titanium carboxymethylphosphonate. • Solvothermal treatment of amorphous solid with alkanol or alkylamine. • Ester and amide formation confirmed by IR spectroscopy

20 CFR 404.1095 - Agricultural trade or business.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Agricultural trade or business. 404.1095... Income § 404.1095 Agricultural trade or business. (a) An agricultural trade or business is one in which, if the trade or business were carried on entirely by employees, the major portion of the services...

5-Methyl-4-oxo-4,6-dihydro-3H-pyridazino[4,5-b]carbazole-1-carbonitrile

Directory of Open Access Journals (Sweden)

Norbert Haider

2010-02-01

Full Text Available The title compound was prepared in excellent yield from 5-methyl-4-oxo-4,6-dihydro-3H-pyridazino[4,5-b]carbazole-1-carbaldehyde by treatment with hydroxylamine hydrochloride in formic acid without isolation of the intermediate oxime.

12 CFR 404.20 - Notice of court-ordered and emergency disclosures.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Notice of court-ordered and emergency disclosures. 404.20 Section 404.20 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Access to Records Under the Privacy Act of 1974 § 404.20 Notice of court-ordered and emergency...

20 CFR 404.1614 - Responsibilities for obtaining evidence to make disability determinations.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Responsibilities for obtaining evidence to make disability determinations. 404.1614 Section 404.1614 Employees' Benefits SOCIAL SECURITY... Responsibilities for Performing the Disability Determination Function § 404.1614 Responsibilities for obtaining...

20 CFR 404.1624 - Medical and other purchased services.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Medical and other purchased services. 404.1624 Section 404.1624 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Determinations of Disability Administrative Responsibilities and Requirements...

CuI nanoparticles as new, efficient and reusable catalyst for the one-pot synthesis of 1,4-dihydro pyridines

International Nuclear Information System (INIS)

Safaeighomi, Javad; Ziarati, Abolfazl; Teymuri, Raheleh

2012-01-01

A simple one-pot synthesis of two derivatives of 1,4-dihydro pyridines has been described under reflux conditions using copper iodide nanoparticles (CuI NPs) as a catalyst in high yields. This method demonstrated four-component coupling reactions of aldehydes and ammonium acetate via two pathways. In one route, the reaction was performed using 2 eq ethyl acetoacetate while in the other one 1 eq ethyl acetoacetate and 1 eq malononitrile were used. The CuI NPs was reused and recycled without any loss of activity and product yield. It is noteworthy to state that wide range of the 1,4-dihydro pyridines have attracted large interest due to pharmacological and biological activities

Distinct generation, pharmacology, and distribution of sphingosine 1-phosphate and dihydro-sphingosine 1-phosphate in human neural progenitor cells

Science.gov (United States)

In-vivo and in-vitro studies suggest a crucial role for Sphingosine 1-phosphate (S1P) and its receptors in the development of the nervous system. Dihydrosphingosine 1-phosphate (dhS1P), a reduced form of S1P, is an active ligand at S1P receptors, but the pharmacology and physiology of dhS1P has not...

20 CFR 404.1055 - Payments for agricultural labor.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Payments for agricultural labor. 404.1055... Payments for agricultural labor. (a) When cash payments are not wages. We do not include as wages your cash payments in a calendar year after 1987 from an employer for agricultural labor (see § 404.1056) if your...

Synthesis and biological activity of some 1,3-dihydro-2H-3-benzazepin-2-ones with a piperazine moiety as bradycardic agents.

Science.gov (United States)

Liang, Hong-Yu; Zhang, Deng-Qing; Yue, Yun; Shi, Zhe; Zhao, Sheng-Yin

2010-02-01

A series of 1,3-dihydro-2H-3-benzazepin-2-ones with a piperazine moiety were designed and synthesized by treating the common intermediate of 1,3-dihydro-7,8-dimethoxy-3-[3-(1-piperazinyl)propyl]-2H-3-benzazepin-2-ones with a variety of N-aryl-2-chloroacetamides and acyl chlorides. Their structures have been characterized by (1)H-NMR, MS, and elemental analysis. The title compounds were evaluated for their bradycardic activity in vitro. Most of the synthesized compounds exhibited some vasorelaxant activity and heart-rate-reducing activity with bradycardic potency.

Radiation promotes colorectal cancer initiation and progression by inducing senescence-associated inflammatory responses.

Science.gov (United States)

Kim, S B; Bozeman, R G; Kaisani, A; Kim, W; Zhang, L; Richardson, J A; Wright, W E; Shay, J W

2016-06-30

Proton radiotherapy is becoming more common as protons induce more precise DNA damage at the tumor site with reduced side effects to adjacent normal tissues. However, the long-term biological effects of proton irradiation in cancer initiation compared with conventional photon irradiation are poorly characterized. In this study, using a human familial adenomatous polyposis syndrome susceptible mouse model, we show that whole-body irradiation with protons are more effective in inducing senescence-associated inflammatory responses (SIRs), which are involved in colon cancer initiation and progression. After proton irradiation, a subset of SIR genes (Troy, Sox17, Opg, Faim2, Lpo, Tlr2 and Ptges) and a gene known to be involved in invasiveness (Plat), along with the senescence-associated gene (P19Arf), are markedly increased. Following these changes, loss of Casein kinase Iα and induction of chronic DNA damage and TP53 mutations are increased compared with X-ray irradiation. Proton irradiation also increases the number of colonic polyps, carcinomas and invasive adenocarcinomas. Pretreatment with the non-steroidal anti-inflammatory drug, 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid-ethyl amide (CDDO-EA), reduces proton irradiation-associated SIR and tumorigenesis. Thus exposure to proton irradiation elicits significant changes in colorectal cancer initiation and progression that can be mitigated using CDDO-EA.

20 CFR 404.1592a - The reentitlement period.

Science.gov (United States)

2010-04-01

... not have to file a new application. The following rules apply if you complete a trial work period and... work attempts, and deducting impairment-related work expenses, as well as the special rules for... earnings, or the special rules in §§ 404.1574(b)(3)(iii) and 404.1575(e) for evaluating the work you do...

2′-deoxy-5,6-dihydro-5-azacytidine—a less toxic alternative of 2′-deoxy-5-azacytidine

Science.gov (United States)

Matoušová, Marika; Votruba, Ivan; Otmar, Miroslav; Tloušťová, Eva; Günterová, Jana

2011-01-01

Restoration of transcriptionally silenced genes by means of methyltransferases inhibitors plays a crucial role in the current therapy of myelodysplastic syndromes and certain types of leukemias. A comparative study of hypomethylating activities of a series of 5-azacytidine nucleosides: 5-azacytidine (AC), 2′-deoxy-5-azacytidine (DAC) and its α-anomer (α-DAC), 5,6-dihydro-5-azacytidine (DHAC), 2′-deoxy-5,6-dihydro-5-azacytidine (DHDAC, KP-1212) and its α-anomer (α-DHDAC), and of a 2-pyrimidone ribonucleoside (zebularine) was conducted. Methylation-specific PCR was employed to detect the efficiency of individual agents on cyclin-dependent kinase inhibitor 2B and thrombospondin-1 hypermethylated gene loci. Overall changes in DNA methylation level were quantified by direct estimation of 5-methyl-2′-deoxycytidine-5′-monophosphate by HPLC using digested genomic DNA. Flow cytometric analysis of cell cycle progression and apoptotic markers was used to determine cytotoxicity of the compounds. mRNA expression was measured using qRT-PCR. 2′-deoxy-5,6-dihydro-5-azacytidine was found to be less cytotoxic and more stable than 2′-deoxy-5-azacytidine at the doses that induce comparable DNA hypomethylation and gene reactivation. This makes it a valuable tool for epigenetic research and worth further investigations to elucidate its possible therapeutic potential. PMID:21566456

Association between 8-oxo-7,8-dihydro-2'-deoxyguanosine excretion and risk of postmenopausal breast cancer

DEFF Research Database (Denmark)

Loft, Steffen; Olsen, Anja; Møller, Peter

2013-01-01

Oxidative stress may be important in carcinogenesis and a possible risk factor for breast cancer. The urinary excretion of oxidatively generated biomolecules, such as 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodG), represents biomarkers of oxidative stress, reflecting the rate of global damage...

Convenient synthesis of 2,2-Dimethyl-3,4-dihydro-2 H-pyrano[2,3- b]quinolines

Digital Repository Service at National Institute of Oceanography (India)

Parsekar, S.B.; Amonkar, C.P.; Parameswaran, P.S.; Tilve, S.G.

A convenient general synthesis of 2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinolines using the Wittig reaction is described. The o-nitrobenzaldehydes (1a-d) on reaction with phosphorane 2 provided (E)-ethyl-a-(2,2-dimethylprop-2-ene)-2...

20 CFR 404.1028 - Student working for a school, college, or university.

Science.gov (United States)

2010-04-01

... university. 404.1028 Section 404.1028 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Work Excluded from Employment § 404.1028 Student working for a school, college, or university. (a) For...

Magnetic-superexchange interactions of uranium(IV) chloride-addition complexes with amides, 2

International Nuclear Information System (INIS)

Miyake, Chie; Hinatsu, Yukio; Imoto, Shosuke

1983-01-01

The magnetic susceptibilities of five cyclic amide (lactam)-addition complexes of uranium(IV) chloride were measured between room temperature and 2 K. Magnetic-exchange interaction was found only for N-methyl-substituted amide complexes, and a dimer structure was assumed for them on the basis of their chemical properties. Treating interdimer interaction with a molecular-field approximation, the magnetic susceptibilities were calculated to be in good agreement with the experimental results in the temperature region of the maxima in chi sub(A). The transmission of antiparallel spin coupling via the π orbitals of the bridging amide ligands is proposed to explain the strong intradimer superexchange interaction for the uranium(IV) chloride-amide complexes with the magnetic-susceptibility maximum. (author)

31 CFR 515.404 - Transactions between principal and agent.

Science.gov (United States)

2010-07-01

... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Transactions between principal and agent. 515.404 Section 515.404 Money and Finance: Treasury Regulations Relating to Money and Finance... transaction were in no way affiliated or associated with each other. ...

31 CFR 500.404 - Transactions between principal and agent.

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2010-07-01

... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Transactions between principal and agent. 500.404 Section 500.404 Money and Finance: Treasury Regulations Relating to Money and Finance... transaction were in no way affiliated or associated with each other. ...

20 CFR 404.1361 - Federal benefit payable other than by Veterans Administration.

Science.gov (United States)

2010-04-01

... Uniformed Services Effect of Other Benefits on Payment of Social Security Benefits and Payments § 404.1361... Veterans Administration. 404.1361 Section 404.1361 Employees' Benefits SOCIAL SECURITY ADMINISTRATION... on the veteran's World War II or post-World War II active service before we determine and certify...

Amide Synthesis from Alcohols and Amines by the Extrusion of Dihydrogen

DEFF Research Database (Denmark)

Nordstrøm, Lars Ulrik Rubæk; Vogt, Henning; Madsen, R.

2008-01-01

An environmentally friendly method for synthesis of amides is presented where a simple ruthenium catalyst mediates the direct coupling between an alcohol and an amine with the liberation of two molecules of dihydrogen. The active catalyst is generated in situ from an easily available ruthenium...... complex, an N-heterocyclic carbene and a phosphine. The reaction allows primary alcohols to be coupled with primary alkyamines to afford the corresponding secondary amides in good yields. The amide formation presumably proceeds through a catalytic cycle where the intermediate aldehyde and hemiaminal...

Cytotoxic cassaine diterpenoid-diterpenoid amide dimers and diterpenoid amides from the leaves of Erythrophleum fordii.

Science.gov (United States)

Du, Dan; Qu, Jing; Wang, Jia-Ming; Yu, Shi-Shan; Chen, Xiao-Guang; Xu, Song; Ma, Shuang-Gang; Li, Yong; Ding, Guang-Zhi; Fang, Lei

2010-10-01

Detailed phytochemical investigation from the leaves of Erythrophleum fordii resulted in the isolation of 13 compounds, including three cassaine diterpenoid-diterpenoid amide dimers (1, 3 and 5), and seven cassaine diterpenoid amides (6 and 8-13), together with three previously reported ones, erythrophlesins D (2), C (4) and 3beta-hydroxynorerythrosuamide (7). Compounds 1, 3 and 5 are further additions to the small group of cassaine diterpenoid dimers represented by erythrophlesins A-D. Their structures were determined by analysis of extensive one- and two-dimensional NMR experiments and ESIMS methods. Cytotoxic activities of the isolated compounds were tested against HCT-8, Bel-7402, BGC-823, A549 and A2780 human cancer cell lines in the MTT test. Results showed that compounds 1 and 3-5 exhibited significantly selective cytotoxic activities (IC(50)<10 microM) against these cells, respectively. Copyright © 2010 Elsevier Ltd. All rights reserved.

Pain and beyond: fatty acid amides and fatty acid amide hydrolase inhibitors in cardiovascular and metabolic diseases.

Science.gov (United States)

Pillarisetti, Sivaram; Alexander, Christopher W; Khanna, Ish

2009-12-01

Fatty acid amide hydrolase (FAAH) is responsible for the hydrolysis of several important endogenous fatty acid amides (FAAs), including anandamide, oleoylethanolamide and palmitoylethanolamide. Because specific FAAs interact with cannabinoid and vanilloid receptors, they are often referred to as 'endocannabinoids' or 'endovanilloids'. Initial interest in this area, therefore, has focused on developing FAAH inhibitors to augment the actions of FAAs and reduce pain. However, recent literature has shown that these FAAs - through interactions with unique receptors (extracellular and intracellular) - can induce a diverse array of effects that include appetite suppression, modulation of lipid and glucose metabolism, vasodilation, cardiac function and inflammation. This review gives an overview of FAAs and diverse FAAH inhibitors and their potential therapeutic utility in pain and non-pain indications.

Zinc(II) complexes with intramolecular amide oxygen coordination as models of metalloamidases.

Science.gov (United States)

Rivas, Juan C Mareque; Salvagni, Emiliano; Prabaharan, Ravi; de Rosales, Rafael Torres Martin; Parsons, Simon

2004-01-07

Polydentate ligands (6-R1-2-pyridylmethyl)-R2(R1= NHCOtBu, R2= bis(2-pyridylmethyl)amine L1, bis(2-(methylthio)ethyl)amine L2 and N(CH2CH2)2S L3) form mononuclear zinc(II) complexes with intramolecular amide oxygen coordination and a range of coordination environments. Thus, the reaction of Zn(ClO4)2.6H2O with L1-3 in acetonitrile affords [(L)Zn](ClO4)2(L=L1, 1; L2, 2) and [(L3)Zn(H2O)(NCCH3)](ClO4)2 3. The simultaneous amide/water binding in resembles the motif that has been proposed to be involved in the double substrate/nucleophile Lewis acidic activation and positioning mechanism of amide bond hydrolysis in metallopeptidases. X-ray diffraction, 1H and 13C NMR and IR data suggests that the strength of amide oxygen coordination follows the trend 1>2 >3. L1-3 and undergo cleavage of the tert-butylamide upon addition of Me4NOH.5H2O (1 equiv.) in methanol at 50(1)degrees C. The rate of amide cleavage follows the order 1> 2> 3, L1-3. The extent by which the amide cleavage reaction is accelerated in 1-3 relative to the free ligands, L1-3, is correlated with the strength of amide oxygen binding and Lewis acidity of the zinc(II) centre in deduced from the X-ray, NMR and IR studies.

Water-stable helical structure of tertiary amides of bicyclic β-amino acid bearing 7-azabicyclo[2.2.1]heptane. Full control of amide cis-trans equilibrium by bridgehead substitution.

Science.gov (United States)

Hosoya, Masahiro; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko

2010-10-27

Helical structures of oligomers of non-natural β-amino acids are significantly stabilized by intramolecular hydrogen bonding between main-chain amide moieties in many cases, but the structures are generally susceptible to the environment; that is, helices may unfold in protic solvents such as water. For the generation of non-hydrogen-bonded ordered structures of amides (tertiary amides in most cases), control of cis-trans isomerization is crucial, even though there is only a small sterical difference with respect to cis and trans orientations. We have established methods for synthesis of conformationally constrained β-proline mimics, that is, bridgehead-substituted 7-azabicyclo[2.2.1]heptane-2-endo-carboxylic acids. Our crystallographic, 1D- and 2D-NMR, and CD spectroscopic studies in solution revealed that a bridgehead methoxymethyl substituent completely biased the cis-trans equilibrium to the cis-amide structure along the main chain, and helical structures based on the cis-amide linkage were generated independently of the number of residues, from the minimalist dimer through the tetramer, hexamer, and up to the octamer, and irrespective of the solvent (e.g., water, alcohol, halogenated solvents, and cyclohexane). Generality of the control of the amide equilibrium by bridgehead substitution was also examined.

20 CFR 404.1569 - Listing of Medical-Vocational Guidelines in appendix 2.

Science.gov (United States)

2010-04-01

... § 404.1569 Listing of Medical-Vocational Guidelines in appendix 2. The Dictionary of Occupational Titles... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Listing of Medical-Vocational Guidelines in appendix 2. 404.1569 Section 404.1569 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE...

48 CFR 27.404-2 - Limited rights data and restricted computer software.

Science.gov (United States)

2010-10-01

... restricted computer software. 27.404-2 Section 27.404-2 Federal Acquisition Regulations System FEDERAL... Copyrights 27.404-2 Limited rights data and restricted computer software. (a) General. The basic clause at 52... restricted computer software by withholding the data from the Government and instead delivering form, fit...

20 CFR 404.221 - Computing your average monthly wage.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Computing your average monthly wage. 404.221... DISABILITY INSURANCE (1950- ) Computing Primary Insurance Amounts Average-Monthly-Wage Method of Computing Primary Insurance Amounts § 404.221 Computing your average monthly wage. (a) General. Under the average...

20 CFR 404.943 - Responsibilities of the adjudication officer.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Responsibilities of the adjudication officer. 404.943 Section 404.943 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS... disagreement and refer the claim to the administrative law judge for further proceedings. At this point, the...

20 CFR 404.1018b - Medicare qualified government employment.

Science.gov (United States)

2010-04-01

... AND DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Work Excluded from Employment § 404.1018b Medicare qualified government employment. (a) General. The work of a... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Medicare qualified government employment. 404...

20 CFR 404.736 - Evidence of a child's dependency.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Evidence of a child's dependency. 404.736 Section 404.736 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND... child's dependency. (a) When evidence of a child's dependency is needed. If you apply for child's...

Vibrational state-resolved differential cross sections for the D + H2 → DH + H reaction

International Nuclear Information System (INIS)

Continetti, R.E.

1989-11-01

In this thesis, crossed-molecular-beams studies of the reaction D + H 2 → DH + H at collision energies of 0.53 and 1.01 eV are reported. Chapter 1 provides a survey of important experimental and theoretical studies on the dynamics of the hydrogen exchange reaction. Chapter 2 discusses the development of the excimer-laser photolysis D atom beam source that was used in these studies and preliminary experiments on the D + H 2 reaction. In Chapter 3, the differential cross section measurements are presented and compared to recent theoretical predictions. The measured differential cross sections for rotationally excited DH products showed significant deviations from recent quantum scattering calculations, in the first detailed comparison of experimental and theoretical differential cross sections. These results indicate that further work on the H 3 potential energy surface, particularly the bending potential, is in order

20 CFR 404.480 - Paying benefits in installments: Drug addiction or alcoholism.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Paying benefits in installments: Drug addiction or alcoholism. 404.480 Section 404.480 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Deductions; Reductions; and Nonpayments of Benefits § 404.480 Paying benefits in installments:...

Cloning and expression of pab gene of M. tuberculosis isolated from pulmonary TB patient in E.coli DH5α

Directory of Open Access Journals (Sweden)

Tri Y. M. Raras

2011-11-01

Full Text Available Background: Mycobacterium tuberculosis antigen38 is a potent serodiagnostic agent containing two M. tuberculosisspecific B-cell epitopes. The high price of imported diagnostic agents hinders realization of fast clinical TB diagnosis in developing countries. Therefore, we produced recombinant antigen38 (recAg38M from M. tuberculosis local strain, which might be used to produce economical tuberculosis serodiagnostic kit.Methods: Pab gene that was isolated from pulmonary TB patient in Malang was cloned into a plasmid vector (pGEMTeasy to construct pMB38. The E.coli DH5α clone carrying pMb38 was selected on X-gal medium. The expression of pab was mediated using pPRoExHTc under the control of Trc promoter and E.coli DH5α as host.Results: Alignment of the pab sequence from the white E.coli DH5α clones with that of M. tuberculosis H37Rv showed 98% homology. The recombinant protein in which the signal peptide has been deleted to prevent the protein being secreted into medium was found in the cytoplasm.Conclusion: pab gene of M. tuberculosis isolated from a TB patient could be expressed in heterologous system in E.coliDH5α. (Med J Indones 2011; 20:247-54Keywords: Mycobacterium tuberculosis, Pab gene expression, recombinant antigen38

Alpha-amidated peptides derived from pro-opiomelanocortin in normal human pituitary

DEFF Research Database (Denmark)

Fenger, M; Johnsen, A H

1988-01-01

Normal human pituitaries were extracted in boiling water and acetic acid, and the alpha-amidated peptide products of pro-opiomelanocortin (POMC), alpha-melanocyte-stimulating hormone (alpha MSH), gamma-melanocyte-stimulating hormone (gamma 1MSH), and amidated hinge peptide (HP-N), as well...... (ACTH)-(1-39), ACTH-(1-14) and alpha MSH immunoreactivity]. alpha MSH and ACTH-(1-14) were only present in non- or mono-acetylated forms. Only large forms of gamma 1MSH and gamma 2MSH were present in partly glycosylated states. The hinge peptides were amidated to an extent two to three orders...... amidated POMC-related peptides are present in normal human pituitary. It also shows that cleavage in vivo at all dibasic amino acids but one, takes place at the N-terminal POMC region; the exception is at the POMC-(49-50) N-terminal of the gamma MSH sequence. The pattern of peptides produced suggests...

2′-deoxy-5,6-dihydro-5-azacytidine—a less toxic alternative of 2′-deoxy-5-azacytidine: A comparative study of hypomethylating potential

OpenAIRE

Matoušová, Marika; Votruba, Ivan; Otmar, Miroslav; Tloušťová, Eva; Günterová, Jana; Mertlíková-Kaiserová, Helena

2011-01-01

Restoration of transcriptionally silenced genes by means of methyltransferases inhibitors plays a crucial role in the current therapy of myelodysplastic syndromes and certain types of leukemias. A comparative study of hypomethylating activities of a series of 5-azacytidine nucleosides: 5-azacytidine (AC), 2′-deoxy-5-azacytidine (DAC) and its α-anomer (α-DAC), 5,6-dihydro-5-azacytidine (DHAC), 2′-deoxy-5,6-dihydro-5-azacytidine (DHDAC, KP-1212) and its α-anomer (α-DHDAC), and of a 2-pyrimidone...

Carryover potassium amide in cracker at HWP, Hazira - a case study (Paper No. 1.5)

International Nuclear Information System (INIS)

Anon.

1992-01-01

The liquid ammonia fed to cracker is made available from potassium amide catalyst recovery unit, where catalyst potassium amide is separated by distillation. Extreme care is taken to ensure that ammonia is totally free from potassium. Also the gas used for catalyst heating during start up, should be free of any possible amide contamination and should be pure and dry as moisture is a poison for the catalyst. In order to prevent the recurrence of amide carryover to cracker tubes from start up gas line, certain modifications were carried out besides removal of amide from pipings. Details are discussed. (author)

46 CFR 108.404 - Selection of fire detection system.

Science.gov (United States)

2010-10-01

... 46 Shipping 4 2010-10-01 2010-10-01 false Selection of fire detection system. 108.404 Section 108... DESIGN AND EQUIPMENT Fire Extinguishing Systems § 108.404 Selection of fire detection system. (a) If a... space. (b) The fire detection system must be designed to minimize false alarms. ...

20 CFR 404.278 - Additional cost-of-living increase.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Additional cost-of-living increase. 404.278... DISABILITY INSURANCE (1950- ) Computing Primary Insurance Amounts Cost-Of-Living Increases § 404.278 Additional cost-of-living increase. (a) General. In addition to the cost-of-living increase explained in...

20 CFR 404.1519f - Type of purchased examinations.

Science.gov (United States)

2010-04-01

... DISABILITY INSURANCE (1950- ) Determining Disability and Blindness Standards for the Type of Referral and for Report Content § 404.1519f Type of purchased examinations. We will purchase only the specific... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Type of purchased examinations. 404.1519f...

Up-regulation of tumor suppressor genes by exogenous dhC16-Cer contributes to its anti-cancer activity in primary effusion lymphoma.

Science.gov (United States)

Cao, Yueyu; Qiao, Jing; Lin, Zhen; Zabaleta, Jovanny; Dai, Lu; Qin, Zhiqiang

2017-02-28

Primary effusion lymphoma (PEL) is a rare and highly aggressive B-cell malignancy with Kaposi's sarcoma-associated herpesvirus (KSHV) infection, while lack of effective therapies. Our recent data indicated that targeting the sphingolipid metabolism by either sphingosine kinase inhibitor or exogenous ceramide species induces PEL cell apoptosis and suppresses tumor progression in vivo. However, the underlying mechanisms for these exogenous ceramides "killing" PEL cells remain largely unknown. Based on the microarray analysis, we found that exogenous dhC16-Cer treatment affected the expression of many cellular genes with important functions within PEL cells such as regulation of cell cycle, cell survival/proliferation, and apoptosis/anti-apoptosis. Interestingly, we found that a subset of tumor suppressor genes (TSGs) was up-regulated from dhC16-Cer treated PEL cells. One of these elevated TSGs, Thrombospondin-1 (THBS1) was required for dhC16-Cer induced PEL cell cycle arrest. Moreover, dhC16-Cer up-regulation of THBS1 was through the suppression of multiple KSHV microRNAs expression. Our data demonstrate that exogenous ceramides display anti-cancer activities for PEL through regulation of both host and oncogenic virus factors.

Uranyl Photocleavage of Phosphopeptides Yields Truncated C-Terminally Amidated Peptide Products

DEFF Research Database (Denmark)

Elnegaard, Rasmus L B; Møllegaard, Niels Erik; Zhang, Qiang

2017-01-01

photocleavage reaction of a tetraphosphorylated β-casein model peptide. We show that the primary photocleavage products of the uranyl-catalysed reaction are C-terminally amidated. This could be of great interest to the pharmaceutical industry, as efficient peptide amidation reactions are one of the top...

50 CFR 404.8 - Emergencies and law enforcement activities.

Science.gov (United States)

2010-10-01

... 50 Wildlife and Fisheries 7 2010-10-01 2010-10-01 false Emergencies and law enforcement activities. 404.8 Section 404.8 Wildlife and Fisheries JOINT REGULATIONS (UNITED STATES FISH AND WILDLIFE SERVICE, DEPARTMENT OF THE INTERIOR AND NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE);...

20 CFR 404.241 - 1977 simplified old-start method.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false 1977 simplified old-start method. 404.241... DISABILITY INSURANCE (1950- ) Computing Primary Insurance Amounts Old-Start Method of Computing Primary Insurance Amounts § 404.241 1977 simplified old-start method. (a) Who is qualified. To qualify for the old...

Influence of aliphatic amides on the temperature of maximum density of water

International Nuclear Information System (INIS)

Torres, Andrés Felipe; Romero, Carmen M.

2017-01-01

Highlights: • The addition of amides decreases the temperature of maximum density of water suggesting a disruptive effect on water structure. • The amides in aqueous solution do not follow the Despretz equation in the concentration range considered. • The temperature shift Δθ as a function of molality is represented by a second order equation. • The Despretz constants were determined considering the dilute concentration region for each amide solution. • Solute disrupting effect of amides becomes smaller as its hydrophobic character increases. - Abstract: The influence of dissolved substances on the temperature of the maximum density of water has been studied in relation to their effect on water structure as they can change the equilibrium between structured and unstructured species of water. However, most work has been performed using salts and the studies with small organic solutes such as amides are scarce. In this work, the effect of acetamide, propionamide and butyramide on the temperature of maximum density of water was determined from density measurements using a magnetic float densimeter. Densities of aqueous solutions were measured within the temperature range from T = (275.65–278.65) K at intervals of 0.50 K in the concentration range between (0.10000 and 0.80000) mol·kg −1 . The temperature of maximum density was determined from the experimental results. The effect of the three amides is to decrease the temperature of maximum density of water and the change does not follow the Despretz equation. The results are discussed in terms of solute-water interactions and the disrupting effect of amides on water structure.

Use of triphenyl phosphate as risk mitigant for metal amide hydrogen storage materials

Science.gov (United States)

Cortes-Concepcion, Jose A.; Anton, Donald L.

2016-04-26

A process in a resulting product of the process in which a hydrogen storage metal amide is modified by a ball milling process using an additive of TPP. The resulting product provides for a hydrogen storage metal amide having a coating that renders the hydrogen storage metal amide resistant to air, ambient moisture, and liquid water while improving useful hydrogen storage and release kinetics.

Amide-based inhibitors of p38alpha MAP kinase. Part 2: design, synthesis and SAR of potent N-pyrimidyl amides.

Science.gov (United States)

Tester, Richland; Tan, Xuefei; Luedtke, Gregory R; Nashashibi, Imad; Schinzel, Kurt; Liang, Weiling; Jung, Joon; Dugar, Sundeep; Liclican, Albert; Tabora, Jocelyn; Levy, Daniel E; Do, Steven

2010-04-15

Optimization of a tri-substituted N-pyridyl amide led to the discovery of a new class of potent N-pyrimidyl amide based p38alpha MAP kinase inhibitors. Initial SAR studies led to the identification of 5-dihydrofuran as an optimal hydrophobic group. Additional side chain modifications resulted in the introduction of hydrogen bond interactions. Through extensive SAR studies, analogs bearing free amino groups and alternatives to the parent (S)-alpha-methyl benzyl moiety were identified. These compounds exhibited improved cellular activities and maintained balance between p38alpha and CYP3A4 inhibition. Copyright 2010 Elsevier Ltd. All rights reserved.

A zinc enolate of amide: Preparation and application in reformasky-like reaction leading to β-hydroxy amides

Energy Technology Data Exchange (ETDEWEB)

Cho, Hyun Hee; Kim, Seung Hoi [Dept. of Chemistry, Dankook University, Cheonan (Korea, Republic of)

2015-04-15

One of the best known functionalized organic complexes is the β-hydroxy carbonyl compound. This unique functionality has been frequently found in naturally occurring bioactive derivatives. The cross-coupling reaction of A with aldehydes were carried out in the absence of any catalyst and completed in most cases within 1.0 h at room temperature. We have developed an efficient synthetic route for the preparation of β-hydroxy amides. The method involved the preparation of room-temperature-stable organo zinc reagents (A, B, and C) in THF and their subsequent coupling reactions with various carbonyl derivatives under mild conditions. Significantly, this approach using zinc enolate of amides could expand the scope of Reformatsky-like reactions. Further studies to elucidate this synthetic protocol are currently under way in our laboratory.

FMRF-amide-like immunoreactivity in brain and pituitary of the hagfish Eptatretus burgeri (Cyclostomata)

DEFF Research Database (Denmark)

Jirikowski, G; Erhart, G; Grimmelikhuijzen, C J

1984-01-01

Paraffin sections of brain and pituitary of the hagfish Eptatretus burgeri were immunostained with an antiserum to FMRF-amide. Immunoreactivity was visible in a large number of neurons in the posterior part of the ventromedial hypothalamus and in long neuronal processes extending cranially from...... the hypothalamus to the olfactory system and caudally to the medulla oblongata. FMRF-amide-like immunoreactivity was also found in cells of the adenohypophysis. These observations suggest that the hagfish possesses a brain FMRF-amide-like transmitter system and pituitary cells containing FMRF-amide-like material...

20 CFR 404.1081 - General rules for figuring net earnings from self-employment.

Science.gov (United States)

2010-04-01

... self-employment. 404.1081 Section 404.1081 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Self-Employment Income § 404.1081 General rules for figuring net earnings from self...

48 CFR 1815.404-471 - NASA structured approach for profit or fee objective.

Science.gov (United States)

2010-10-01

... for profit or fee objective. 1815.404-471 Section 1815.404-471 Federal Acquisition Regulations System NATIONAL AERONAUTICS AND SPACE ADMINISTRATION CONTRACTING METHODS AND CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 1815.404-471 NASA structured approach for profit or fee objective. ...

17 CFR 404.1 - Application of part to registered brokers and dealers.

Science.gov (United States)

2010-04-01

... registered brokers and dealers. 404.1 Section 404.1 Commodity and Securities Exchanges DEPARTMENT OF THE... PRESERVATION OF RECORDS § 404.1 Application of part to registered brokers and dealers. Compliance by a registered broker or dealer with § 240.17a-3 of this title (pertaining to records to be made), § 240.17a-4 of...

20 CFR 404.1042 - Wages when paid and received.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Wages when paid and received. 404.1042... DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Wages § 404.1042 Wages when paid and received. (a) In general. Wages are received by an employee at the time they are...

20 CFR 404.338 - Widow's and widower's benefits amounts.

Science.gov (United States)

2010-04-01

... benefit may change as explained in § 404.304. (c) Your monthly benefit will be reduced if the insured person chooses to receive old-age benefits before reaching full retirement age. If so, your benefit will... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Widow's and widower's benefits amounts. 404...

20 CFR 404.726 - Evidence of common-law marriage.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Evidence of common-law marriage. 404.726... DISABILITY INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.726 Evidence of common-law marriage. (a) General. A common-law marriage is one considered valid under certain State laws even though...

A Convenient One-Pot Method for the Synthesis of N-Methoxy-N-methyl Amides from Carboxylic Acids

International Nuclear Information System (INIS)

Kim, Joong Gon; Jang, Doo Ok

2010-01-01

We have developed a mild and convenient method for one-pot synthesis of Weinreb amides from carboxylic acids. The process is general for the preparation of Weinreb amides from a variety of carboxylic acids. The reaction was also applicable to the preparation of α-amino Weinreb amides and proceeded without deprotection of the N-Fmoc protecting group or racemization of the stereogenic centers. N-Methoxy-N-methyl amides, or Weinreb amides, have been widely used as versatile synthetic intermediates in organic syntheses. These amides serve as excellent acylating agents for organolithium or organomagnesium reagents and as robust aldehyde group equivalents. The utility of Weinreb amides has been extended to the preparation of N-protected amino aldehydes, useful intermediates for many chemoselective transformations in peptide chemistry

20 CFR 404.1603 - Basic responsibilities for us and the State.

Science.gov (United States)

2010-04-01

... are made accurately and promptly; (2) Provide an organizational structure, adequate facilities... projects (§ 404.1629); (9) Coordinate with other agencies (§ 404.1630); (10) Safeguard the records created...

Catalytic asymmetric epoxidation of alpha,beta-unsaturated amides: efficient synthesis of beta-aryl alpha-hydroxy amides using a one-pot tandem catalytic asymmetric epoxidation-Pd-catalyzed epoxide opening process.

Science.gov (United States)

Nemoto, Tetsuhiro; Kakei, Hiroyuki; Gnanadesikan, Vijay; Tosaki, Shin-Ya; Ohshima, Takashi; Shibasaki, Masakatsu

2002-12-11

The catalytic asymmetric epoxidation of alpha,beta-unsaturated amides using Sm-BINOL-Ph3As=O complex was succeeded. Using 5-10 mol % of the asymmetric catalyst, a variety of amides were epoxidized efficiently, yielding the corresponding alpha,beta-epoxy amides in up to 99% yield and in more than 99% ee. Moreover, the novel one-pot tandem process, one-pot tandem catalytic asymmetric epoxidation-Pd-catalyzed epoxide opening process, was developed. This method was successfully utilized for the efficient synthesis of beta-aryl alpha-hydroxy amides, including beta-aryllactyl-leucine methyl esters. Interestingly, it was found that beneficial modifications on the Pd catalyst were achieved by the constituents of the first epoxidation, producing a more suitable catalyst for the Pd-catalyzed epoxide opening reaction in terms of chemoselectivity.

17 CFR 404.5 - Securities counts by registered government securities brokers and dealers.

Science.gov (United States)

2010-04-01

... registered government securities brokers and dealers. 404.5 Section 404.5 Commodity and Securities Exchanges... AND PRESERVATION OF RECORDS § 404.5 Securities counts by registered government securities brokers and dealers. (a) Securities counts. Every registered government securities broker or dealer shall comply with...

SYNTHESIS OF 1,2 FUSED SYSTEMS BASED ON THE 3-ARYLIDENE-5-PHENYL-1,2-DIHYDRO-3H-1,4- BENZODIAZEPINE-2-ONES

Directory of Open Access Journals (Sweden)

V. I. Pavlovsky

2014-12-01

Full Text Available By the reaction of 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-ones with Lawesson reagent, 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-tiones were synthesized from which 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines were obtained by the reaction with hydrazine hydrate. The condensation of 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines with triethylorthoformate (triethylorthoacetate or formic acid (acetic acid gave 4-arylidene-8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-а][1,4]-benzodiazepines. Latter were also synthesized by the reaction of 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-tiones with acetylhydrazine. 4-Arylidene-8-bromo-6-phenyl-4H-[1,2,3,4] tetrazolo[1,5-а][1,4]-benzodiazepines were obtained by the reaction of 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines with sodium nitrite.

Highly Stereoselective Intermolecular Haloetherification and Haloesterification of Allyl Amides

Science.gov (United States)

Soltanzadeh, Bardia; Jaganathan, Arvind; Staples, Richard J.

2016-01-01

An organocatalytic and highly regio-, diastereo-, and enantioselective intermolecular haloetherification and haloesterification reaction of allyl amides is reported. A variety of alkene substituents and substitution patterns are compatible with this chemistry. Notably, electronically unbiased alkene substrates exhibit exquisite regio- and diastereoselectivity for the title transformation. We also demonstrate that the same catalytic system can be used in both chlorination and bromination reactions of allyl amides with a variety of nucleophiles with little or no modification. PMID:26110812

20 CFR 404.1017 - Sharefarmers.

Science.gov (United States)

2010-04-01

...- ) Employment, Wages, Self-Employment, and Self-Employment Income Work Excluded from Employment § 404.1017 Sharefarmers. (a) If you are a sharefarmer, your services are not covered as employment, but as self-employment...

Nanostructures and surface hydrophobicity of self-assembled thermosets involving epoxy resin and poly(2,2,2-trifluoroethyl acrylate)-block-poly(ethylene oxide) amphiphilic diblock copolymer.

Science.gov (United States)

Yi, Fangping; Zheng, Sixun; Liu, Tianxi

2009-02-19

Poly(2,2,2-trifluoroethyl acrylate)-block-poly(ethylene oxide) (PTFEA-b-PEO) amphiphilic diblock copolymer was synthesized via the reversible addition-fragmentation transfer polymerization of 2,2,2-triffluroethyl acrylate with dithiobenzoyl-terminated poly(ethylene oxide) as a chain-transfer agent. The amphiphilic diblock copolymer was incorporated into epoxy resin to prepare the nanostructured epoxy thermosets. The nanostructures were investigated by means of atomic force microscopy, small-angle X-ray scattering, and dynamic mechanical analysis. In terms of the miscibility of the subchains of the block copolymer with epoxy after and before curing reaction, it is judged that the formation of the nanostructures follows the mechanism of self-assembly. The static contact angle measurements indicate that the nanostructured thermosets containing PTFEA-b-PEO diblock copolymer displayed a significant enhancement in surface hydrophobicity as well as a reduction in surface free energy. The improvement in surface properties was ascribed to the enrichment of the fluorine-containing subchain (i.e., PTFEA block) of the amphiphilic diblock copolymer on the surface of the nanostructured thermosets, which was evidenced by surface atomic force microscopy and energy-dispersive X-ray spectroscopy.

20 CFR 404.728 - Evidence a marriage has ended.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Evidence a marriage has ended. 404.728... DISABILITY INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.728 Evidence a marriage has ended. (a) When evidence is needed that a marriage has ended. If you apply for benefits as the insured...

Characterization of a salt-induced DhAHP, a gene coding for alkyl hydroperoxide reductase, from the extremely halophilic yeast Debaryomyces hansenii

Directory of Open Access Journals (Sweden)

Ku Maurice SB

2009-08-01

Full Text Available Abstract Background Debaryomyces hansenii is one of the most salt tolerant species of yeast and has become a model organism for the study of tolerance mechanisms against salinity. The goal of this study was to identify key upregulated genes that are involved in its adaptation to high salinity. Results By using forward subtractive hybridization we have cloned and sequenced DhAHP from D. hansenii that is significantly upregulated during salinity stress. DhAHP is orthologous to the alkly hydroperoxide reductase of the peroxiredoxin gene family, which catalyzes the reduction of peroxides at the expense of thiol compounds. The full-lengthed cDNA of DhAHP has 674 bp of nucleotide and contains a 516 bp open reading frame (ORF encoding a deduced protein of 172 amino acid residues (18.3 kDa. D. hansenii Ahp is a cytosolic protein that belongs to the Ahp of the 1-Cys type peroxiredoxins. Phylogentically, the DhAhp and Candida albicans Ahp11 (Swiss-Prot: Q5AF44 share a common ancestry but show divergent evolution. Silence of its expression in D. hansenii by RNAi resulted in decreased tolerance to salt whereas overexpression of DhAHP in D. hansenii and the salt-sensitive yeasts Saccharomyces cereviasiae and Pichia methanolica conferred a higher tolerance with a reduced level of reactive oxygen species. Conclusion In conclusion, for the first time our study has identified alkly hydroperoxide reductase as a key protein involved in the salt tolerance of the extremely halophilic D. hansenii. Apparently, this enzyme plays a multi-functional role in the yeast's adaptation to salinity; it serves as a peroxidase in scavenging reactive oxygen species, as a molecular chaperone in protecting essential proteins from denaturation, and as a redox sensor in regulating H2O2-mediated cell defense signaling.

Rhodium(III)-Catalyzed Amidation of Unactivated C(sp(3) )-H Bonds.

Science.gov (United States)

Wang, He; Tang, Guodong; Li, Xingwei

2015-10-26

Nitrogenation by direct functionalization of C-H bonds represents an important strategy for constructing C-N bonds. Rhodium(III)-catalyzed direct amidation of unactivated C(sp(3) )-H bonds is rare, especially under mild reaction conditions. Herein, a broad scope of C(sp(3) )-H bonds are amidated under rhodium catalysis in high efficiency using 3-substituted 1,4,2-dioxazol-5-ones as the amide source. The protocol broadens the scope of rhodium(III)-catalyzed C(sp(3) )-H activation chemistry, and is applicable to the late-stage functionalization of natural products. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

20 CFR 404.720 - Evidence of a person's death.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Evidence of a person's death. 404.720 Section... INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.720 Evidence of a person's death. (a) When evidence of death is required. If you apply for benefits on the record of a deceased person, we...

20 CFR 404.1825 - Joint payments to a family.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Joint payments to a family. 404.1825 Section... INSURANCE (1950- ) Payment Procedures § 404.1825 Joint payments to a family. (a) Two or more beneficiaries in same family. If an amount is payable under title II of the Act for any month to two or more...

48 CFR 915.404-4-71-6 - Fee base.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Fee base. 915.404-4-71-6... CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 915.404-4-71-6 Fee base. (a) The fee base shown... estimate of cost to which a percentage factor is applied to determine maximum fee allowances. The fee base...

Solvent extraction of uranium(VI) and thorium(IV) from nitrate media by carboxylic acid amides

International Nuclear Information System (INIS)

Preston, J.S.; Preez, A.C. du

1995-01-01

A series of nineteen N-alkyl carboxylic acid amides (R.CO.NHR') has been prepared, in which the alkyl groups R and R' have been varied in order to introduce different degrees of steric complexity into the compounds. A smaller number of N,N-dialkyl amides (R.CO.NR 2 ') and non-substituted amides (R.CO.NH 2 ) has also been prepared for comparison purposes. These amides were characterized by measurement of their boiling points, melting points, refractive indices and densities. The solvent extraction of uranium(VI) and thorium(IV) from sodium nitrate media by solutions of the amides in toluene was studied. Increasing steric bulk of the alkyl groups R and R' was found to cause a marked decrease in the extraction of thorium, with a much smaller effect on the extraction of uranium, thus considerably enhancing the separation between these metals. Vapour pressure osmometry studies indicate that the N-alkyl amides are self-associated in toluene solution, with aggregation numbers up to about 2.5 for 0.6 M solutions at 35 degree C. In contrast, the N,N-dialkyl amides behave as monomers under these conditions. The distribution ratios for the extraction of uranium and thorium show second- and third-order dependences, respectively, on the extractant concentration for both the N-alkyl and N,N-dialkyl amides. 15 refs., 8 figs., 8 tabs

Synthesis of new fatty acids amides from aminolysis of fatty acid methyl esters (FAMEs)

International Nuclear Information System (INIS)

Lopes, Carolina R.; Montes D'Oca, Caroline da Ros; Duarte, Rodrigo da C.; Kurz, Marcia H.S.; Primel, Ednei G.; Clementin, Rosilene M.; Villarreyes, Joaquin Ariel M.; Montes D'Oca, Marcelo G.

2010-01-01

Recent biochemical and pharmacological studies have led to the characterization of different fatty acid amides as a new family of biologically active lipids. Here, we describe the synthesis of new amides from C16:0, 18:0, 18:1 and 18:1, OH fatty acids (FFA) families with cyclic and acyclic amines and demonstrate for the first time that these compounds produce cytotoxic effects. Application of this method to the synthesis of fatty acid amides was performed using the esters aminolysis as a key step and various carboxylic amides were prepared in good yield from fatty acid methyl esters (FAMEs). (author)

20 CFR 404.384 - Reductions, suspensions, and nonpayments of special age 72 payments.

Science.gov (United States)

2010-04-01

... 72 payments when you are not residing in the United States. No special payment is due you for any... special age 72 payments. 404.384 Section 404.384 Employees' Benefits SOCIAL SECURITY ADMINISTRATION... Survivors' Insurance Benefits; Period of Disability Special Payments at Age 72 § 404.384 Reductions...

20 CFR 404.408a - Reduction where spouse is receiving a Government pension.

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2010-04-01

... Government pension. 404.408a Section 404.408a Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD... § 404.408a Reduction where spouse is receiving a Government pension. (a) When reduction is required... a monthly pension from a Federal, State, or local government agency (Government pension) for which...

Detection of amide I signals of interfacial proteins in situ using SFG.

Science.gov (United States)

Wang, Jie; Even, Mark A; Chen, Xiaoyun; Schmaier, Alvin H; Waite, J Herbert; Chen, Zhan

2003-08-20

In this Communication, we demonstrate the novel observation that it is feasible to collect amide signals from polymer/protein solution interfaces in situ using sum frequency generation (SFG) vibrational spectroscopy. Such SFG amide signals allow for acquisition of more detailed molecular level information of entire interfacial protein structures. Proteins investigated include bovine serum albumin, mussel protein mefp-2, factor XIIa, and ubiquitin. Our studies indicate that different proteins generate different SFG amide signals at the polystyrene/protein solution interface, showing that they have different interfacial coverage, secondary structure, or orientation.

20 CFR 404.1068 - Employees who are considered self-employed.

Science.gov (United States)

2010-04-01

..., SURVIVORS AND DISABILITY INSURANCE (1950- ) Employment, Wages, Self-Employment, and Self-Employment Income Self-Employment § 404.1068 Employees who are considered self-employed. (a) General. Although we..., those earnings are self-employment income (see § 404.1096(c)(1)). In figuring your church employee...

Influence mechanism of low-dose ionizing radiation on Escherichia coli DH5α population based on plasma theory and system dynamics simulation.

Science.gov (United States)

Sun, Yi; Hu, Dawei; Li, Liang; Jing, Zheng; Wei, Chuanfeng; Zhang, Lantao; Fu, Yuming; Liu, Hong

2016-01-01

It remains a mystery why the growth rate of bacteria is higher in low-dose ionizing radiation (LDIR) environment than that in normal environment. In this study, a hypothesis composed of environmental selection and competitive exclusion was firstly proposed from observed phenomena, experimental data and microbial ecology. Then a LDIR environment simulator (LDIRES) was built to cultivate a model organism of bacteria, Escherichia coli (E. coli) DH5α, the accurate response of bacterial population to ionizing radiation intensity variation was measured experimentally, and then the precise relative dosage of ionizing radiation E. coli DH5α population received was calculated by finite element analysis based on drift-diffusion equations of plasma. Finally, a highly valid mathematical model expressing the relationship between E. coli DH5α population and LDIR intensity was developed by system dynamics based on hypotheses, experimental data and microbial ecology. Both experiment and simulation results clearly showed that the E. coli DH5α individuals with greater specific growth rate and lower substrate consumption coefficient would adapt and survive in LDIR environment and those without such adaptability were finally eliminated under the combined effects of ionizing radiation selection and competitive exclusion. Copyright © 2015 Elsevier Ltd. All rights reserved.

Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

Science.gov (United States)

Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

2014-01-29

Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

Three-dimensional quantum mechanical studies of D+H2 → HD+H reactive scattering

International Nuclear Information System (INIS)

Tang, K.T.; Choi, B.H.

1975-01-01

A three-dimensional quantum mechanical study is made on the reactive scattering of D+H 2 → DH+H. The differential and total cross sections as well as the S-matrix elements are obtained from the adiabatic distorted wave model. With the initial molecule H 2 in the ground rotational state, we calculated the cross sections for reactions to all possible rotational states of the product molecule DH. The potential used is that of the Porter and Karplus semiempirical surface. The reactive scattering is predominantly backward. However, the peak in the differential cross sections gradually shifts away from theta=π as the energy is increased, with higher rotational states shifting more. In the thermal energy region, there is virtually no scattering in forward directions. The reaction is endothermic but only slightly so. Although the 0→0 rotational transition contributes only a small fraction to the total reactive cross section, most product molecules prefer rotational states that are considerably lower than the highest one allowed by energy conservation. Differential cross sections summed over all possible final rotational states are significantly different from that of any one state. Previous three-dimensional quantum mechanical studies on this system are all limited to one final rotational state; these previous results are compared with the result of the corresponding case in the present study. The present results are also compared with the corresponding classical trajectory calculations on the same potential surface. Finally, the experimental measurements of Geddes, Kraus, and Fite are compared with the present results. Qualitatively, there are general agreements. but quantitatively the calculated cross sections are definitely too large as compared with the experimental ones. The most likely cause for this difference is that the potential surface used is ''too reactive.''

Synthesis, anticancer and antibacterial activity of salinomycin N-benzyl amides.

Science.gov (United States)

Antoszczak, Michał; Maj, Ewa; Napiórkowska, Agnieszka; Stefańska, Joanna; Augustynowicz-Kopeć, Ewa; Wietrzyk, Joanna; Janczak, Jan; Brzezinski, Bogumil; Huczyński, Adam

2014-11-25

A series of 12 novel monosubstituted N-benzyl amides of salinomycin (SAL) was synthesized for the first time and characterized by NMR and FT-IR spectroscopic methods. Molecular structures of three salinomycin derivatives in the solid state were determined using single crystal X-ray method. All compounds obtained were screened for their antiproliferative activity against various human cancer cell lines as well as against the most problematic bacteria strains such as methicillin-resistant Staphylococcus aureus (MRSA) and Staphylococcus epidermidis (MRSE), and Mycobacterium tuberculosis. Novel salinomycin derivatives exhibited potent anticancer activity against drug-resistant cell lines. Additionally, two N-benzyl amides of salinomycin revealed interesting antibacterial activity. The most active were N-benzyl amides of SAL substituted at -ortho position and the least anticancer active derivatives were those substituted at the -para position.

25 CFR 20.404 - What information is contained in a social services assessment?

Science.gov (United States)

2010-04-01

... 25 Indians 1 2010-04-01 2010-04-01 false What information is contained in a social services assessment? 20.404 Section 20.404 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR HUMAN SERVICES FINANCIAL ASSISTANCE AND SOCIAL SERVICES PROGRAMS Services to Children, Elderly, and Families § 20.404 What...

Amidation of single-walled carbon nanotubes by a hydrothermal process for the electrooxidation of nitric oxide

International Nuclear Information System (INIS)

Kan Kan; Xia Tingliang; Li Li; Bi Hongmei; Fu Honggang; Shi Keying

2009-01-01

Single-walled carbon nanotubes (SWCNTs) have been amidated by hydrothermal treatment with different aliphatic amines. The amido groups modified on the surface of the SWCNTs were characterized by Fourier transform infrared spectroscopy. The electrooxidation of nitric oxide (NO) at the modified electrodes of amidated SWCNTs was investigated. The modified electrodes of amidated SWCNTs exhibited different electrocatalytic activity for NO when different aliphatic amines were being used. The electrode amidated by ammonia has the highest activity, which is 1.8 times value of the SWCNT modified electrode. The electrocatalytic activity of the amidated SWCNT modified electrodes depends on the length of the alkyl groups. The results demonstrate that hydrothermal treatment is an efficient way to modify SWCNTs with amines, and the reaction rate of NO electrooxidation can be changed by the amidation of SWCNTs.

Propiedades de crecimiento de las líneas celulares DH82 y RF/6A bajo condiciones normales de laboratorio

Directory of Open Access Journals (Sweden)

Samara Machuca Figueroa

2016-01-01

Full Text Available La línea celular RF/6A ha sido utilizada en estudios de corto plazo evaluando fármacos o infecciones experimentales con Anaplasma marginale; en contraste, DH82 es utilizada para la multiplicación de Ehrlichia canis. No obstante, se desconocen condiciones específicas de su crecimiento, por lo que se diseñaron varios experimentos para resolver interrogantes de su propagación. Ambas líneas, se adquirieron de la American Type Culture Collection, mantenidas en Medio Mínimo Esencial suplementado con suero fetal bovino, piruvato de Na y NaHCO3 e incubadas en atmósfera de 5% de CO2 en aire, a 37 °C. Los primeros ensayos, en placas de 24 pozos, esclarecieron los valores de dosis mínima inicial, que fueron 62,500 y 8,836 células/pozo para DH82 y RF/6A; así como los de densidad de siembra; cultivos con concentraciones de 5, 10, 20 y 40 células por mm2, cosechados con solución Tripsina-EDTA al alcanzar >95% de confluencia. Los índices estimados fueron: 3,319.32, 1,956.70, 870.73 y 422.14 para DH82 y 62.38, 63.51, 25.31 y 12.16 veces con RF/6A. La cinética del crecimiento, en cajas de Petri de 35 mm Ø, incluyó la siembra de 20 células/mm2, cambio del medio cada 63 h y cosecha cada 21 h para DH82; para RF/6A; la siembra fue 10 células/ mm2, cambio de medio cada 45 h y cosecha cada 15 h. El máximo crecimiento se observó hasta las 336 y 315 h con tiempos de duplicación de 42.9 y 36.9 h respectivamente para DH82 y RF/6A. Los datos permitieron proponer un modelo patrón de cultivo, para estudios futuros.

Selective bio-oxidation of propane to acetone using methane-oxidizing Methylomonas sp. DH-1.

Science.gov (United States)

Hur, Dong Hoon; Nguyen, Thu Thi; Kim, Donghyuk; Lee, Eun Yeol

2017-07-01

Propane is the major component of liquefied petroleum gas (LPG). Nowadays, the use of LPG is decreasing, and thus utilization of propane as a chemical feedstock is in need of development. An efficient biological conversion of propane to acetone using a methanotrophic whole cell as the biocatalyst was proposed and investigated. A bio-oxidation pathway of propane to acetone in Methylomonas sp. DH-1 was analyzed by gene expression profiling via RNA sequencing. Propane was oxidized to 2-propanol by particulate methane monooxygenase and subsequently to acetone by methanol dehydrogenases. Methylomonas sp. DH-1 was deficient in acetone-converting enzymes and thus accumulated acetone in the absence of any enzyme inhibition. The maximum accumulation, average productivity and specific productivity of acetone were 16.62 mM, 0.678 mM/h and 0.141 mmol/g cell/h, respectively, under the optimized conditions. Our study demonstrates a novel method for the bioconversion of propane to acetone using methanotrophs under mild reaction condition.

20 CFR 404.508 - Defeat the purpose of Title II.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Defeat the purpose of Title II. 404.508 Section 404.508 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND... and necessary expenses include: (1) Fixed living expenses, such as food and clothing, rent, mortgage...

20 CFR 404.902 - Administrative actions that are initial determinations.

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2010-04-01

... under a workmen's compensation law; (f) A deduction from your benefits on account of work; (g) [Reserved... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Administrative actions that are initial determinations. 404.902 Section 404.902 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE...

GLP-1-(9-36) amide reduces blood glucose in anesthetized pigs by a mechanism that does not involve insulin secretion

DEFF Research Database (Denmark)

Deacon, Carolyn F; Plamboeck, Astrid; Møller, Søren

2002-01-01

impossible to assess its true efficacy in vivo. In chloralose-anesthetized pigs given valine-pyrrolidide (to block endogenous DPP IV activity), the independent effects of GLP-1-(7-36) amide on glucose and insulin responses to intravenous glucose were assessed, and the metabolite generated by DPP IV, GLP-1......-(9-36) amide, was investigated for any ability to influence these responses. GLP-1-(7-36) amide enhanced insulin secretion (P amide was without effect, either alone or when coinfused with GLP-1-(7-36) amide. In contrast, GLP-1-(9-36) amide did affect glucose responses (P...... amide (73 +/- 19 mmol x l(-1) x min; P amide (62 +/- 13 mmol x l(-1) x min; P amide + GLP-1-(9-36) amide (50 +/-13 mmol x l(-1) x min; P

Comparative analysis of organizational obstacles to CHP/DH

Energy Technology Data Exchange (ETDEWEB)

Ruedig, W.

1986-04-01

An explanation is given of the vast differences between the countries of Western Europe in the adoption of combined heat and power (CHP) for district heating (DH). The history of this technology in FR Germany and the UK is analysed in detail, and experiences of other countries are reviewed. It is concluded that the over centralization of the electricity supply industry is a major obstacle in the widespread adoption of combined heat and power and district heating. Significant improvements of energy efficiency would thus require organizational reforms giving greater powers to local energy organizations. This, however, should not imply total decentralization of energy supply. Instead, a two-tier system is proposed in which central organizations remain responsible for bulk supply but where local or regional bodies are in charge of all gas, electricity and heat supplies to the final user.

A catalyst-free addition reaction of zinc amide enolates to N-sulfonyle imines

Energy Technology Data Exchange (ETDEWEB)

Joo, Seong Ryu; Im, Pyeong Won; Kim, Jong Sung; Kim, Seung Hoi [Dept. of Chemistry, Dankook University, Cheonan (Korea, Republic of); Park Soo Youl [Interface Chemistry and Engineering Research Team, Korea Research Institute of Chemical Technology, Daejon (Korea, Republic of)

2016-12-15

Despite the remarkable expansion of the imino-Reformatsky reaction, one interesting aspect is that, to the best of our knowledge, zinc enolates derived solely from α-halo esters have been mainly used in the recent progress. In contrast, a few limited examples have been reported concerning the application of zinc enolates derived from α-halo amide to the imino-Reformatsky reaction. In recent years, Rodriguez-Solla and co-workers reported the addition reaction of samarium enolates derived from both α-halo esters and amides to imines, resulting in the synthe- sis of β-amino esters or amides. In conclusion, we established a potential synthetic proto- col for the preparation of β-amino amides. This work was accomplished by the direct addition of zinc amide enolates to N-sulfonyl imines in the absence of any metal-catalyst under mild conditions. Due to the operational simplicity of the proposed method, it can be further utilized in synthetic organic chemistry. Further studies to elucidate the scope of this approach are currently underway in our laboratory.

A catalyst-free addition reaction of zinc amide enolates to N-sulfonyle imines

International Nuclear Information System (INIS)

Joo, Seong Ryu; Im, Pyeong Won; Kim, Jong Sung; Kim, Seung Hoi; Park Soo Youl

2016-01-01

Despite the remarkable expansion of the imino-Reformatsky reaction, one interesting aspect is that, to the best of our knowledge, zinc enolates derived solely from α-halo esters have been mainly used in the recent progress. In contrast, a few limited examples have been reported concerning the application of zinc enolates derived from α-halo amide to the imino-Reformatsky reaction. In recent years, Rodriguez-Solla and co-workers reported the addition reaction of samarium enolates derived from both α-halo esters and amides to imines, resulting in the synthe- sis of β-amino esters or amides. In conclusion, we established a potential synthetic proto- col for the preparation of β-amino amides. This work was accomplished by the direct addition of zinc amide enolates to N-sulfonyl imines in the absence of any metal-catalyst under mild conditions. Due to the operational simplicity of the proposed method, it can be further utilized in synthetic organic chemistry. Further studies to elucidate the scope of this approach are currently underway in our laboratory

Actinides complexes in solvent extraction. The amide type of extractants

International Nuclear Information System (INIS)

Musikas, C.; Condamines, N.; Charbonnel, M.C.; Hubert, H.

1989-01-01

The N,N-dialkylamides and the N,N'-tetraalkyl. 2-alkyl 1,3-diamide propane are two promising classes of extractants which could replace advantageously the organophosphorus molecules for the separations of the actinide. The main advantages of the amides lie in their complete incinerability and the small interference of their radiolytic and hydrolytic degradation products for the processes. The actinide extraction chemistry with various amides is reviewed in this paper

Pressure effect on the amide I frequency of the solvated α-helical structure in water

International Nuclear Information System (INIS)

Takekiyo, T; Yoshimura, Y; Shimizu, A; Koizumi, T; Kato, M; Taniguchi, Y

2007-01-01

As a model system of the pressure dependence of the amide I mode of the solvated α-helical structure in a helical peptide, we have calculated the frequency shifts of the amide I modes as a function of the distance between trans-N-methylacetamide (t-NMA) dimer and a water molecule (d C=O···H-O ) by the density-functional theory (DFT) method at the B3LYP/6-31G++(d,p) level. Two amide I frequencies at 1652 and 1700 cm -1 were observed under this calculation. The former is ascribed to the amide I mode forming the intermolecular hydrogen bond (H-bond) between t-NMA and H 2 O in addition to the intermolecular H-bond in the t-NMA dimer. The latter is due to the amide I mode forming only the intermolecular H-bond in the t-NMA dimer. We have found that the amide I frequency at 1652 cm -1 shifts to a lower frequency with decreasing d C=O···H-O ) (i.e., increasing pressure), whereas that at 1700 cm -1 shifts to a higher frequency. The amide I frequency shift of 1652 cm -1 is larger than that of 1700 cm -1 by the intermolecular H-bond. Thus, our results clearly indicate that the pressure-induced amide I frequency shift of the solvated α-helical structure correlates with the change in d C=O···H-O )

12 CFR 404.6 - Release of records under the Freedom of Information Act.

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2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Release of records under the Freedom of Information Act. 404.6 Section 404.6 Banks and Banking EXPORT-IMPORT BANK OF THE UNITED STATES INFORMATION DISCLOSURE Procedures for Disclosure of Records Under the Freedom of Information Act. § 404.6 Release of...

20 CFR 404.641 - Cancellation of a request to withdraw.

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2010-04-01

....641 Section 404.641 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Filing of Applications and Other Forms Withdrawal of Application § 404.641... received after we have approved the withdrawal, the request is filed no later than 60 days after the date...

7 CFR 810.404 - Grades and grade requirements for corn.

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2010-01-01

... 7 Agriculture 7 2010-01-01 2010-01-01 false Grades and grade requirements for corn. 810.404... OFFICIAL UNITED STATES STANDARDS FOR GRAIN United States Standards for Corn Principles Governing the Application of Standards § 810.404 Grades and grade requirements for corn. Grade Minimum test weight per...

20 CFR 404.509 - Against equity and good conscience; defined.

Science.gov (United States)

2010-04-01

.... 404.509 Section 404.509 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS... deceased worker was found to be not insured and all payments to the widow and child were incorrect. The... benefits. In this situation, the recovery of the payments would be against equity and good conscience...

Synthesis of (R)-5-(Di[2,3-3H2]propylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one-([3H]U-86170) and (R)-5-([2,3-3H2]propylamino)-5,6-dihydro-4H-imidazo(4,5,1-ij) quinolin-2(1H)-one ([3H]U-91356)

International Nuclear Information System (INIS)

Moon, M.W.; Hsi, R.S.P.

1992-01-01

(R)-5-(diallylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one (12b) was prepared in 9% overall yield from 3-aminoquinoline. Reaction of 12b in ethyl acetate with tritium gas in presence of a 5% platinum on carbon catalyst afforded a mixture of (R)-5-(di[2,3- 3 H 2 ]propylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]-quinolin-2(1H)-one ([ 3 H]U-86170, 69 Ci/mmol) and (R)-5-([2,3- 3 H 2 ]-propylamino)5,6-dihydro-4H-imidazo-[4,5,1-ij]quinolin-2(1H)-one ( [ 3 H]U-91356, 34 Ci/mmol) which was separated by preparative reverse-phase chromatography. U-86170 and U-91356 are potent dopamine D2 agonists. The labelled compounds are useful for drug disposition studies. [ 3 H]U-86170 is also useful as a dopamine D2 agonist radioligand for receptor binding studies. (author)

5 CFR 9901.404 - Definitions.

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2010-01-01

... providing feedback, developing performance and addressing poor performance, and rating and rewarding... setting and communicating employee performance expectations, monitoring performance and providing feedback... (NSPS) Performance Management § 9901.404 Definitions. In this subpart— Appraisal means the review and...

47 CFR 25.404 - Submission of down payment and filing of long-form applications.

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2010-10-01

... 47 Telecommunication 2 2010-10-01 2010-10-01 false Submission of down payment and filing of long-form applications. 25.404 Section 25.404 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES SATELLITE COMMUNICATIONS Competitive Bidding Procedures for DARS § 25.404...

Organoboron compounds. Communication 417. Crystal and molecular structure of 4-acetoxy-4-butyl-2-methyl-3-phenyl1,4-dihydro-1-aza-3-azonia-4-boratanaphthalene

International Nuclear Information System (INIS)

Vorontsova, L.G.; Boldyraeva, O.G.; Chizhov, O.S.; Dorokhov, V.A.; Mikhailov, B.M.

1985-01-01

In order to elucidate the structure of boronitrogen heterocycles, an x-ray diffraction structural analysis was carried out on the adduct of 4-butyl-2-methyl-3-phenyl-3,4-dihydro-4-boraquinazoline with acetic acid, namely, 4-acetoxy-4-butyl-2-methyl3-phenyl-1,4-dihydro-1-aza-3-azonia-4-boratanaphthalene (DAABN). The molecular structure of DAABN is given, and the atomic coordinates and bond lengths and angles are presented in tables. the boron atom has distorted tetrahedral configuration

Polyketide synthases of Diaporthe helianthi and involvement of DhPKS1 in virulence on sunflower.

Science.gov (United States)

Ruocco, Michelina; Baroncelli, Riccardo; Cacciola, Santa Olga; Pane, Catello; Monti, Maurilia Maria; Firrao, Giuseppe; Vergara, Mariarosaria; Magnano di San Lio, Gaetano; Vannacci, Giovanni; Scala, Felice

2018-01-06

The early phases of Diaporthe helianthi pathogenesis on sunflower are characterized by the production of phytotoxins that may play a role in host colonisation. In previous studies, phytotoxins of a polyketidic nature were isolated and purified from culture filtrates of virulent strains of D. helianthi isolated from sunflower. A highly aggressive isolate (7/96) from France contained a gene fragment of a putative nonaketide synthase (lovB) which was conserved in a virulent D. helianthi population. In order to investigate the role of polyketide synthases in D. helianthi 7/96, a draft genome of this isolate was examined. We were able to find and phylogenetically analyse 40 genes putatively coding for polyketide synthases (PKSs). Analysis of their domains revealed that most PKS genes of D. helianthi are reducing PKSs, whereas only eight lacked reducing domains. Most of the identified PKSs have orthologs shown to be virulence factors or genetic determinants for toxin production in other pathogenic fungi. One of the genes (DhPKS1) corresponded to the previously cloned D. helianthi lovB gene fragment and clustered with a nonribosomal peptide synthetase (NRPS) -PKS hybrid/lovastatin nonaketide like A. nidulans LovB. We used DhPKS1 as a case study and carried out its disruption through Agrobacterium-mediated transformation in the isolate 7/96. D. helianthi DhPKS1 deleted mutants were less virulent to sunflower compared to the wild type, indicating a role for this gene in the pathogenesis of the fungus. The PKS sequences analysed and reported here constitute a new genomic resource that will be useful for further research on the biology, ecology and evolution of D. helianthi and generally of fungal plant pathogens.

Human and methodological sources of variability in the measurement of urinary 8-oxo-7,8-dihydro-2'-deoxyguanosine

DEFF Research Database (Denmark)

Barregard, Lars; Møller, Peter; Henriksen, Trine

2013-01-01

Urinary 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodG) is a widely used biomarker of oxidative stress. However, variability between chromatographic and ELISA methods hampers interpretation of data, and this variability may increase should urine composition differ between individuals, leading to as...

District heating (DH) network design and operation toward a system-wide methodology for optimizing renewable energy solutions (SMORES) in Canada: A case study

DEFF Research Database (Denmark)

Dalla Rosa, A.; Boulter, R.; Church, K.

2012-01-01

better energy delivery performance than high-temperature district heating (HTDH) (Tsupply> 100 C), decreasing the heat loss by approximately 40%. The low-temperature networks (Tsupplyinvestment. The implementation...... in Canada. The paper discusses critical issues and quantifies the performance of design concepts for DH supply to low heat density areas. DH is a fundamental energy infrastructure and is part of the solution for sustainable energy planning in Canadian communities....

12 CFR 263.404 - Notice of removal, suspension, or debarment.

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2010-01-01

... accountants and firms. An accountant or accounting firm that provides audit services to a banking organization... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Notice of removal, suspension, or debarment. 263.404 Section 263.404 Banks and Banking FEDERAL RESERVE SYSTEM (CONTINUED) BOARD OF GOVERNORS OF THE...

20 CFR 404.707 - Original records or copies as evidence.

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2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Original records or copies as evidence. 404... DISABILITY INSURANCE (1950- ) Evidence General § 404.707 Original records or copies as evidence. (a) General... original document or record. These original records or documents will be returned to you after we have...

48 CFR 370.404 - Contract clause.

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2010-10-01

... SPECIAL PROGRAMS AFFECTING ACQUISITION Acquisitions Involving the Use of Laboratory Animals 370.404... Animals, in solicitations, contracts, and orders that involve live vertebrate animals. [75 FR 21512, Apr...

Food emulsions with amidated pectin from celery (Apium graveolens var. rapaceum D.C. tubers

Directory of Open Access Journals (Sweden)

Iv. Petrova

2017-09-01

Full Text Available Abstract. Hydrocolloids, especially polysaccharides from traditional plant sources and their derivatives possessed significant emulsifying properties. Pectin was isolated from celery tubers by accelerated “green” method for extraction based on ultrasonic irradiation. Further chemical modification of celery pectin was performed with 4 mol/L NH The amidated celery pectin was obtained with the following characteristics: the degree of esterification (DE 31%, the degree of 3. amidation (DA 16%, degree of acetylation (DAc 2% and anhydrouronic acid content (AUAC 68%. This modified pectin was incorporated in preparation of model 30, 40 and 50% oil-in-water emulsions. The effect of amidation of celery pectin on the stability of emulsions was investigated. The results showed that amidation increased the emulsifying properties of pectic polysaccharides. It affected also the rheological characteristics of model emulsion. The current study demonstrated preparation of emulsion with low-caloric amidated pectin as proper alternative to the traditional emulsifiers.

20 CFR 404.1628 - Property.

Science.gov (United States)

2010-04-01

...' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Determinations of Disability Administrative Responsibilities and Requirements § 404.1628 Property. The State will have title to equipment purchased for disability program purposes. The State will be responsible for...

20 CFR 404.1002 - Definitions.

Science.gov (United States)

2010-04-01

...- ) Employment, Wages, Self-Employment, and Self-Employment Income § 404.1002 Definitions. (a) General... your means any person whose earnings from employment or self-employment are included or excluded under... sections of this subpart in which they are used. Employment ...

Vibrational state-resolved differential cross sections for the D + H sub 2 yields DH + H reaction

Energy Technology Data Exchange (ETDEWEB)

Continetti, R.E.

1989-11-01

In this thesis, crossed-molecular-beams studies of the reaction D + H{sub 2} {yields} DH + H at collision energies of 0.53 and 1.01 eV are reported. Chapter 1 provides a survey of important experimental and theoretical studies on the dynamics of the hydrogen exchange reaction. Chapter 2 discusses the development of the excimer-laser photolysis D atom beam source that was used in these studies and preliminary experiments on the D + H{sub 2} reaction. In Chapter 3, the differential cross section measurements are presented and compared to recent theoretical predictions. The measured differential cross sections for rotationally excited DH products showed significant deviations from recent quantum scattering calculations, in the first detailed comparison of experimental and theoretical differential cross sections. These results indicate that further work on the H{sub 3} potential energy surface, particularly the bending potential, is in order.

20 CFR 404.459 - Penalty for making false or misleading statements or withholding information.

Science.gov (United States)

2010-04-01

... Nonpayments of Benefits § 404.459 Penalty for making false or misleading statements or withholding information... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Penalty for making false or misleading statements or withholding information. 404.459 Section 404.459 Employees' Benefits SOCIAL SECURITY...

45 CFR 160.404 - Amount of a civil money penalty.

Science.gov (United States)

2010-10-01

... 45 Public Welfare 1 2010-10-01 2010-10-01 false Amount of a civil money penalty. 160.404 Section... RELATED REQUIREMENTS GENERAL ADMINISTRATIVE REQUIREMENTS Imposition of Civil Money Penalties § 160.404 Amount of a civil money penalty. (a) The amount of a civil money penalty will be determined in accordance...

20 CFR 404.723 - When evidence of marriage is required.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false When evidence of marriage is required. 404... DISABILITY INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.723 When evidence of marriage is required. If you apply for benefits as the insured person's husband or wife, widow or widower...

20 CFR 404.727 - Evidence of a deemed valid marriage.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Evidence of a deemed valid marriage. 404.727... DISABILITY INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.727 Evidence of a deemed valid marriage. (a) General. A deemed valid marriage is a ceremonial marriage we consider valid even...

20 CFR 404.725 - Evidence of a valid ceremonial marriage.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Evidence of a valid ceremonial marriage. 404... DISABILITY INSURANCE (1950- ) Evidence Evidence of Age, Marriage, and Death § 404.725 Evidence of a valid ceremonial marriage. (a) General. A valid ceremonial marriage is one that follows procedures set by law in...

Day Hospital Mentalization-Based Treatment (MBT-DH) versus treatment as usual in the treatment of severe borderline personality disorder: protocol of a randomized controlled trial

Science.gov (United States)

2014-01-01

Background Severe borderline personality disorder is associated with a very high psychosocial and economic burden. Current treatment guidelines suggest that several manualized treatments, including day hospital Mentalization-Based Treatment (MBT-DH), are effective in these patients. However, only two randomized controlled trials have compared manualized MBT-DH with treatment as usual. Given the relative paucity of data supporting the efficacy and cost-effectiveness of MBT-DH, the possible influence of researcher allegiance in one of the trials, and potential problems with the generalization of findings to mental health systems in other countries, this multi-site randomized trial aims to investigate the efficacy and cost-effectiveness of manualized MBT-DH compared to manualized specialist treatment as usual in The Netherlands. Methods/design The trial is being conducted at two sites in The Netherlands. Patients with a DSM-IV-TR diagnosis of borderline personality disorder and a score of ≥ 20 on the Borderline Personality Disorder Severity Index were randomly allocated to MBT-DH or treatment as usual. The MBT-DH program consists of a maximum of 18 months’ intensive treatment, followed by a maximum of 18 months of maintenance therapy. Specialist treatment as usual is provided by the City Crisis Service in Amsterdam, a service that specializes in treating patients with personality disorders, offering manualized, non-MBT interventions including family interventions, Linehan training, social skills training, and pharmacotherapy, without a maximum time limit. Patients are assessed at baseline and subsequently every 6 months up to 36 months after the start of treatment. The primary outcome measure is the frequency and severity of manifestations of borderline personality disorder as assessed by the Borderline Personality Disorder Severity Index. Secondary outcome measures include parasuicidal behaviour, symptomatic distress, social and interpersonal functioning

Day Hospital Mentalization-Based Treatment (MBT-DH) versus treatment as usual in the treatment of severe borderline personality disorder: protocol of a randomized controlled trial.

Science.gov (United States)

Laurenssen, Elisabeth M P; Westra, Dieuwertje; Kikkert, Martijn J; Noom, Marc J; Eeren, Hester V; van Broekhuyzen, Anna J; Peen, Jaap; Luyten, Patrick; Busschbach, Jan J V; Dekker, Jack J M

2014-05-22

Severe borderline personality disorder is associated with a very high psychosocial and economic burden. Current treatment guidelines suggest that several manualized treatments, including day hospital Mentalization-Based Treatment (MBT-DH), are effective in these patients. However, only two randomized controlled trials have compared manualized MBT-DH with treatment as usual. Given the relative paucity of data supporting the efficacy and cost-effectiveness of MBT-DH, the possible influence of researcher allegiance in one of the trials, and potential problems with the generalization of findings to mental health systems in other countries, this multi-site randomized trial aims to investigate the efficacy and cost-effectiveness of manualized MBT-DH compared to manualized specialist treatment as usual in The Netherlands. The trial is being conducted at two sites in The Netherlands. Patients with a DSM-IV-TR diagnosis of borderline personality disorder and a score of ≥ 20 on the Borderline Personality Disorder Severity Index were randomly allocated to MBT-DH or treatment as usual. The MBT-DH program consists of a maximum of 18 months' intensive treatment, followed by a maximum of 18 months of maintenance therapy. Specialist treatment as usual is provided by the City Crisis Service in Amsterdam, a service that specializes in treating patients with personality disorders, offering manualized, non-MBT interventions including family interventions, Linehan training, social skills training, and pharmacotherapy, without a maximum time limit. Patients are assessed at baseline and subsequently every 6 months up to 36 months after the start of treatment. The primary outcome measure is the frequency and severity of manifestations of borderline personality disorder as assessed by the Borderline Personality Disorder Severity Index. Secondary outcome measures include parasuicidal behaviour, symptomatic distress, social and interpersonal functioning, personality functioning

40 CFR 721.6183 - Amides, from ammonium hydroxide - maleic anhydride polymer and hydrogenated tallow alkyl amines...

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amides, from ammonium hydroxide... Substances § 721.6183 Amides, from ammonium hydroxide - maleic anhydride polymer and hydrogenated tallow... subject to reporting. (1) The chemical substance identified as amides, from ammonium hydroxide - maleic...

48 CFR 1515.404-474 - Waivers.

Science.gov (United States)

2010-10-01

... METHODS AND CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 1515.404-474 Waivers. Under unusual... shall be justified in writing, and authorized only in situations where the guidelines method is...

20 CFR 404.1292 - How to request review-for wages paid prior to 1987.

Science.gov (United States)

2010-04-01

... 1987. 404.1292 Section 404.1292 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE... Review of Decisions on Credits, Refunds, Or Assessments-for Wages Paid Prior to 1987 § 404.1292 How to... disallowance being questioned; (2) Describe the specific issue on which the review is requested; (3) Contain...

Dual function of Lactobacillus kefiri DH5 in preventing high-fat-diet-induced obesity: direct reduction of cholesterol and upregulation of PPAR-α in adipose tissue.

Science.gov (United States)

Kim, Dong-Hyeon; Jeong, Dana; Kang, Il-Byeong; Kim, Hyunsook; Song, Kwang-Young; Seo, Kun-Ho

2017-11-01

Kefir consumption inhibits the development of obesity and non-alcoholic fatty liver disease (NALFD) in mice fed 60% high-fat diet (HFD). To identify the key contributor of this effect, we isolated lactic acid bacteria (LAB) from kefir and examined their anti-obesity properties from in vitro screening and in vivo validation. Thirteen kefir LAB isolates were subjected to survivability test using artificial gastrointestinal environment and cholesterol-reducing assay. Lactobacillus kefiri DH5 showed 100% survivability in gastrointestinal environments and reduced 51.6% of cholesterol; thus, this strain was selected for in vivo experiment. Compared to the HFD-saline group, the HFD-DH5 group showed significantly lower body weight (34.68 versus 31.10 g; p kefiri DH5 administration significantly modulated gut microbiota of HFD-fed mice. The hepatic steatosis was significantly milder (Lesion score, 2.1 versus 1.2; p kefiri DH5 upregulated PPAR-α, FABP4, and CPT1 expression in the epididymal adipose tissues (2.29-, 1.77-, and 2.05-fold change, respectively), suggesting a reduction in adiposity by stimulating fatty acid oxidation. L. kefiri DH5 exerts anti-obesity effects by direct reduction of cholesterol in the lumen and upregulation of PPAR-α gene in adipose tissues. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

20 CFR 404.1622 - Training.

Science.gov (United States)

2010-04-01

...' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Determinations of Disability Administrative Responsibilities and Requirements § 404.1622 Training. The State will insure that all employees have an acceptable level of competence. We will provide training and other...

A new phenylethyl alkyl amide from the Ambrostoma quadriimpressum Motschulsky

Directory of Open Access Journals (Sweden)

Guolei Zhao

2011-09-01

Full Text Available A new phenylethyl alkyl amide, (10R-10-hydroxy-N-phenethyloctadecanamide (1, was isolated from the beetle Ambrostoma quadriimpressum Motschulsky. The structure of the amide was determined by NMR and MS. The absolute configuration of compound 1 was confirmed by an asymmetric total synthesis, which was started from L-glutamic acid. The construction of the aliphatic chain was accomplished by the selective protection of the hydroxy groups and two-time implementation of the Wittig olefination reaction.

Bardoxolone methyl induces apoptosis and autophagy and inhibits epithelial-to-mesenchymal transition and stemness in esophageal squamous cancer cells

Directory of Open Access Journals (Sweden)

Wang YY

2015-02-01

Full Text Available Yan-Yang Wang,1,2 Yin-Xue Yang,3 Ren Zhao,1 Shu-Ting Pan,2,4 Hong Zhe,1 Zhi-Xu He,5 Wei Duan,6 Xueji Zhang,7 Tianxin Yang,8 Jia-Xuan Qiu,4 Shu-Feng Zhou2,51Department of Radiation Oncology, General Hospital of Ningxia Medical University, Yinchuan, People’s Republic of China; 2Department of Pharmaceutical Sciences, College of Pharmacy, University of South Florida, Tampa, FL, USA; 3Department of Colorectal Surgery, General Hospital of Ningxia Medical University, Yinchuan, People’s Republic of China; 4Department of Oral and Maxillofacial Surgery, The First Affiliated Hospital of Nanchang University, Nanchang, 5Guizhou Provincial Key Laboratory for Regenerative Medicine, Stem Cell and Tissue Engineering Research Center and Sino-US Joint Laboratory for Medical Sciences, Guiyang Medical University, Guiyang, People’s Republic of China; 6School of Medicine, Deakin University, Waurn Ponds, VIC, Australia; 7Research Center for Bioengineering and Sensing Technology, University of Science and Technology Beijing, Beijing, People’s Republic of China; 8Department of Internal Medicine, University of Utah and Salt Lake Veterans Affairs Medical Center, Salt Lake City, UT, USAAbstract: Natural and synthetic triterpenoids have been shown to kill cancer cells via multiple mechanisms. The therapeutic effect and underlying mechanism of the synthetic triterpenoid bardoxolone methyl (C-28 methyl ester of 2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid; CDDO-Me on esophageal cancer are unclear. Herein, we aimed to investigate the anticancer effects and underlying mechanisms of CDDO-Me in human esophageal squamous cell carcinoma (ESCC cells. Our study showed that CDDO-Me suppressed the proliferation and arrested cells in G2/M phase, and induced apoptosis in human ESCC Ec109 and KYSE70 cells. The G2/M arrest was accompanied with upregulated p21Waf1/Cip1 and p53 expression. CDDO-Me significantly decreased B-cell lymphoma-extra large (Bcl-xl, B-cell lymphoma 2 (Bcl-2

Molecular characterization of an enzyme that degrades neuromodulatory fatty-acid amides.

Science.gov (United States)

Cravatt, B F; Giang, D K; Mayfield, S P; Boger, D L; Lerner, R A; Gilula, N B

1996-11-07

Endogenous neuromodulatory molecules are commonly coupled to specific metabolic enzymes to ensure rapid signal inactivation. Thus, acetylcholine is hydrolysed by acetylcholine esterase and tryptamine neurotransmitters like serotonin are degraded by monoamine oxidases. Previously, we reported the structure and sleep-inducing properties of cis-9-octadecenamide, a lipid isolated from the cerebrospinal fluid of sleep-deprived cats. cis-9-Octadecenamide, or oleamide, has since been shown to affect serotonergic systems and block gap-junction communication in glial cells (our unpublished results). We also identified a membrane-bound enzyme activity that hydrolyses oleamide to its inactive acid, oleic acid. We now report the mechanism-based isolation, cloning and expression of this enzyme activity, originally named oleamide hydrolase, from rat liver plasma membranes. We also show that oleamide hydrolase converts anandamide, a fatty-acid amide identified as the endogenous ligand for the cannabinoid receptor, to arachidonic acid, indicating that oleamide hydrolase may serve as the general inactivating enzyme for a growing family of bioactive signalling molecules, the fatty-acid amides. Therefore we will hereafter refer to oleamide hydrolase as fatty-acid amide hydrolase, in recognition of the plurality of fatty-acid amides that the enzyme can accept as substrates.

Communication: Quantitative multi-site frequency maps for amide I vibrational spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Reppert, Mike [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Department of Chemistry, University of Chicago, Chicago, Illinois 60637 (United States); Tokmakoff, Andrei, E-mail: tokmakoff@uchicago.edu [Department of Chemistry, University of Chicago, Chicago, Illinois 60637 (United States)

2015-08-14

An accurate method for predicting the amide I vibrational spectrum of a given protein structure has been sought for many years. Significant progress has been made recently by sampling structures from molecular dynamics simulations and mapping local electrostatic variables onto the frequencies of individual amide bonds. Agreement with experiment, however, has remained largely qualitative. Previously, we used dipeptide fragments and isotope-labeled constructs of the protein G mimic NuG2b as experimental standards for developing and testing amide I frequency maps. Here, we combine these datasets to test different frequency-map models and develop a novel method to produce an optimized four-site potential (4P) map based on the CHARMM27 force field. Together with a charge correction for glycine residues, the optimized map accurately describes both experimental datasets, with average frequency errors of 2–3 cm{sup −1}. This 4P map is shown to be convertible to a three-site field map which provides equivalent performance, highlighting the viability of both field- and potential-based maps for amide I spectral modeling. The use of multiple sampling points for local electrostatics is found to be essential for accurate map performance.

48 CFR 915.404-4 - Profit.

Science.gov (United States)

2010-10-01

... TYPES CONTRACTING BY NEGOTIATION Contract Pricing 915.404-4 Profit. (c)(4)(i) Contracting officer...) and Bonneville Power Administration (BPA) functions. Pursuant to section 602(d) (13) and (20) of the...

20 CFR 404.1059 - Deemed wages for certain individuals interned during World War II.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Deemed wages for certain individuals interned during World War II. 404.1059 Section 404.1059 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL...-Employment Income Wages § 404.1059 Deemed wages for certain individuals interned during World War II. (a) In...

DH and ESPI laser interferometry applied to the restoration shrinkage assessment

International Nuclear Information System (INIS)

Campos, L.M.P.; Parra, D.F.; Vasconcelos, M.R.; Vaz, M.; Monteiro, J.

2014-01-01

In dental restoration postoperative marginal leakage is commonly associated to polymerization shrinkage effects. In consequence the longevity and quality of restorative treatment depends on the shrinkage mechanisms of the composite filling during the polymerization. In this work the development of new techniques for evaluation of those effects under light-induced polymerization of dental nano composite fillings is reported. The composite resins activated by visible light, initiate the polymerization process by absorbing light in wavelengths at about 470 nm. The techniques employed in the contraction assessment were digital holography (DH) and Electronic Speckle Pattern Interferometry (ESPI) based on laser interferometry. A satisfactory resolution was achieved in the non-contact displacement field measurements on small objects concerning the experimental dental samples. According to a specific clinical protocol, natural teeth were used (human mandibular premolars). A class I cavity was drilled and restored with nano composite material, according to Black principles. The polymerization was monitored by DH and ESPI in real time during the cure reaction of the restoration. The total displacement reported for the material in relation of the tooth wall was 3.7 μm (natural tooth). The technique showed the entire tooth surface (wall) deforming during polymerization shrinkage. - Highlights: • Both of holographic techniques were able to measure the polymerization shrinkage. • The entire tooth surface was deformed during the polymerization shrinkage. • The group with greater percentage of filler showed the lowest value of deformation. • The values of displacement ranged from 0.9 to 3.4 μm

76 FR 69636 - Amides, C5

Science.gov (United States)

2011-11-09

... in guinea pigs showed that amides, C 5 - C 9 , N-[3-(dimethylamino) propyl] was not a skin sensitizer.... Potentially affected entities may include, but are not limited to: Crop production (NAICS code 111). Animal production (NAICS code 112). Food manufacturing (NAICS code 311). Pesticide manufacturing (NAICS code 32532...

Optimization of Aryl Amides that Extend Survival in Prion-Infected Mice.

Science.gov (United States)

Giles, Kurt; Berry, David B; Condello, Carlo; Dugger, Brittany N; Li, Zhe; Oehler, Abby; Bhardwaj, Sumita; Elepano, Manuel; Guan, Shenheng; Silber, B Michael; Olson, Steven H; Prusiner, Stanley B

2016-09-01

Developing therapeutics for neurodegenerative diseases (NDs) prevalent in the aging population remains a daunting challenge. With the growing understanding that many NDs progress by conformational self-templating of specific proteins, the prototypical prion diseases offer a platform for ND drug discovery. We evaluated high-throughput screening hits with the aryl amide scaffold and explored the structure-activity relationships around three series differing in their N-aryl core: benzoxazole, benzothiazole, and cyano. Potent anti-prion compounds were advanced to pharmacokinetic studies, and the resulting brain-penetrant leads from each series, together with a related N-aryl piperazine lead, were escalated to long-term dosing and efficacy studies. Compounds from each of the four series doubled the survival of mice infected with a mouse-passaged prion strain. Treatment with aryl amides altered prion strain properties, as evidenced by the distinct patterns of neuropathological deposition of prion protein and associated astrocytic gliosis in the brain; however, none of the aryl amide compounds resulted in drug-resistant prion strains, in contrast to previous studies on compounds with the 2-aminothiazole (2-AMT) scaffold. As seen with 2-AMTs and other effective anti-prion compounds reported to date, the novel aryl amides reported here were ineffective in prolonging the survival of transgenic mice infected with human prions. Most encouraging is our discovery that aryl amides show that the development of drug resistance is not an inevitable consequence of efficacious anti-prion therapeutics. Copyright © 2016 by The American Society for Pharmacology and Experimental Therapeutics.

20 CFR 404.1069 - Real estate agents and direct sellers.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Real estate agents and direct sellers. 404... § 404.1069 Real estate agents and direct sellers. (a) Trade or business. If you perform services after 1982 as a qualified real estate agent or as a direct seller, as defined in section 3508 of the Code...

20 CFR 404.906 - Testing modifications to the disability determination procedures.

Science.gov (United States)

2010-04-01

... determination procedures. 404.906 Section 404.906 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD... disability claim managers assume primary responsibility for processing an application for disability benefits... determination process would be improved if they were implemented on a national level. (b) Procedures for cases...

Tautomerism, ionization, and bond dissociations of 5-nitro-2,4-dihydro-3H-1,2,4-triazolone.

NARCIS (Netherlands)

Harris, N.J.; Lammertsma, K.

1996-01-01

Tautomerization, ionization, and bond dissociations of the insensitive high-energy explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazolone (NTO) were studied by molecular orbital SCF and MP2 theories and with the Becke3LYP hybrid density functional using the 6-31+G* and 6-311+G** basis sets. Energies

48 CFR 915.404-4-72 - Special considerations for cost-plus-award-fee contracts.

Science.gov (United States)

2010-10-01

... cost-plus-award-fee contracts. 915.404-4-72 Section 915.404-4-72 Federal Acquisition Regulations System....404-4-72 Special considerations for cost-plus-award-fee contracts. (a) When a contract is to be awarded on a cost-plus-award-fee basis several special considerations are appropriate. Fee objectives for...

Direct Lactamization of Azido Amides via Staudinger-Type Reductive Cyclization

Energy Technology Data Exchange (ETDEWEB)

Heo, In Jung; Lee, Su Jeong; Cho, Chang Woo [Kyungpook National University, Daegu (Korea, Republic of)

2012-01-15

The direct lactamization of 1,3- and 1,4-azido amides has been achieved using triphenylphosphine and water, affording various γ- and δ-lactams in good to excellent yields. The direct lactamization of the azido amides was performed via the Staudinger-type reductive cyclization in which the amide group acts as the electrophile for lactam synthesis. This lactamization provides a mild, functional group tolerant and efficient route for the synthesis of various γ- and δ-lactams found in natural products and pharmaceuticals. Further studies will be conducted to develop new synthetic routes for the synthesis of various lactams. The lactam ring system is one of the most ubiquitous structural motifs found in natural products and pharmaceuticals. Owing to the prevalence of lactams, their synthesis has attracted considerable attention. Lactams are usually prepared by the coupling of activated carboxylic acid derivatives with amines. Alternative routes include the Beckmann rearrangement of oximes, the Schmidt reaction of cyclic ketones and hydrazoic acid, the Kinugasa reaction of nitrones and terminal acetylenes, the Diels-Alder reaction of cyclopentadiene and chlorosulfonyl isocyanate, transition metal catalyzed lactamization of amino alcohols, and iodolactamization of amides and alkenes. In particular, the intramolecular Staudinger ligation of azides and activated carboxy acids, including esters, is well known as an environmentally friendly and mild protocol for lactam synthesis.

Direct Lactamization of Azido Amides via Staudinger-Type Reductive Cyclization

International Nuclear Information System (INIS)

Heo, In Jung; Lee, Su Jeong; Cho, Chang Woo

2012-01-01

The direct lactamization of 1,3- and 1,4-azido amides has been achieved using triphenylphosphine and water, affording various γ- and δ-lactams in good to excellent yields. The direct lactamization of the azido amides was performed via the Staudinger-type reductive cyclization in which the amide group acts as the electrophile for lactam synthesis. This lactamization provides a mild, functional group tolerant and efficient route for the synthesis of various γ- and δ-lactams found in natural products and pharmaceuticals. Further studies will be conducted to develop new synthetic routes for the synthesis of various lactams. The lactam ring system is one of the most ubiquitous structural motifs found in natural products and pharmaceuticals. Owing to the prevalence of lactams, their synthesis has attracted considerable attention. Lactams are usually prepared by the coupling of activated carboxylic acid derivatives with amines. Alternative routes include the Beckmann rearrangement of oximes, the Schmidt reaction of cyclic ketones and hydrazoic acid, the Kinugasa reaction of nitrones and terminal acetylenes, the Diels-Alder reaction of cyclopentadiene and chlorosulfonyl isocyanate, transition metal catalyzed lactamization of amino alcohols, and iodolactamization of amides and alkenes. In particular, the intramolecular Staudinger ligation of azides and activated carboxy acids, including esters, is well known as an environmentally friendly and mild protocol for lactam synthesis

20 CFR 404.1626 - Fiscal.

Science.gov (United States)

2010-04-01

...' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Determinations of Disability Administrative Responsibilities and Requirements § 404.1626 Fiscal. (a) We will give... determinations under these regulations. Necessary costs are direct as well as indirect costs as defined in 41 CFR...

Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides

OpenAIRE

Bolla, Geetha; Nangia, Ashwini

2016-01-01

A novel design strategy for cocrystals of a sulfonamide drug with pyridine carboxamides and cyclic amides is developed based on synthon identification as well as size and shape match of coformers. Binary adducts of acetazolamide (ACZ) with lactams (valerolactam and caprolactam, VLM, CPR), cyclic amides (2-pyridone, labeled as 2HP and its derivatives MeHP, OMeHP) and pyridine amides (nicotinamide and picolinamide, NAM, PAM) were obtained by manual grinding, and their single crystals by solutio...

SOLID-PHASE PEPTIDE SYNTHESIS OF ISOTOCIN WITH AMIDE ...

African Journals Online (AJOL)

SOLID-PHASE PEPTIDE SYNTHESIS OF ISOTOCIN WITH AMIDE OF ASPARAGINE PROTECTED WITH 1-TETRALINYL. TRIFLUOROMETHANESULPHONIC ACID (TFMSA) DEPROTECTION, CLEAVAGE AND AIR OXIDATION OF MERCAPTO GROUPS TO DISULPHIDE.

Progress and Results from the 4DH Research Centre

DEFF Research Database (Denmark)

Werner, Sven; Lund, Henrik; Mathiesen, Brian Vad

2014-01-01

With lower and more flexible distribution temperatures, fourth generation district heating systems can utilize renewable energy sources, while meeting the requirements of low-energy buildings and energy conservation measures in the existing building stock. 4DH is an international strategic research...... centre located at Aalborg University, which develops 4th generation district heating technologies and systems (4GDH). This technology is fundamental to the implementation of the Danish objective of being fossil fuel-free by 2050 and the European 2020 goals. The research centre is working between 2012...... and 2017, with The Danish Council for Strategic Research as main financier and the participating 31 Danish and international companies and universities as cofinanciers. Thirteen PhD student projects constitute a vital part of the research centre. In 4GDH systems, synergies are created between three areas...

Equilibrium amide hydrogen exchange and protein folding kinetics

International Nuclear Information System (INIS)

Bai Yawen

1999-01-01

The classical Linderstrom-Lang hydrogen exchange (HX) model is extended to describe the relationship between the HX behaviors (EX1 and EX2) and protein folding kinetics for the amide protons that can only exchange by global unfolding in a three-state system including native (N), intermediate (I), and unfolded (U) states. For these slowly exchanging amide protons, it is shown that the existence of an intermediate (I) has no effect on the HX behavior in an off-pathway three-state system (I↔U↔N). On the other hand, in an on-pathway three-state system (U↔I↔N), the existence of a stable folding intermediate has profound effect on the HX behavior. It is shown that fast refolding from the unfolded state to the stable intermediate state alone does not guarantee EX2 behavior. The rate of refolding from the intermediate state to the native state also plays a crucial role in determining whether EX1 or EX2 behavior should occur. This is mainly due to the fact that only amide protons in the native state are observed in the hydrogen exchange experiment. These new concepts suggest that caution needs to be taken if one tries to derive the kinetic events of protein folding from equilibrium hydrogen exchange experiments

Variations in the D/H and 18O/16O ratios in cellulose extracted from a peat bog core

International Nuclear Information System (INIS)

Brenninkmeijer, C.A.M.; Mook, W.G.; Geel, B. van

1982-01-01

A peat core from a raised bog covering the period 3100 to 2400 14 C years B.P. has been analysed for D/H and 18 O/ 16 O ratios. These analyses were applied to cellulose, extracted from 56 successive layers of 1 cm thickness. D/H ratios were determined for the carbon bonded hydrogen; 18 O/ 16 O analyses were performed by applying a new method. For the interpretation of the results obtained on peat, the isotopic ratios of 11 living bog plant species were measured, showing a relatively large scatter. Most pronounced is a depletion in D of about 25per mille and in 18 O of about 5per mille of the Sphagnum mosses relative to the vascular bog plants. This different isotopic composition is reflected by the deltaD and delta 18 O records of the peat core, because the abundance of the remains of non-vascular plants is variable. If this effect is taken account of, the remaining deltaD variations appear to be too large to be attributed to variations in the isotopic compositions of precipitation. As palaeoclimatic indicators the D/H and 18 O/ 16 O ratio qualitatively agree with the pollen analytical evidence for the climatic deterioration of the Subboreal-Subatlantic transition. (orig.)

Intramolecular migration of amide hydrogens in protonated peptides upon collisional activation

DEFF Research Database (Denmark)

Jørgensen, Thomas J. D.; Gårdsvoll, H.; Ploug, M.

2005-01-01

Presently different opinions exist as to the degree of scrambling of amide hydrogens in gaseous protonated peptides and proteins upon collisional activation in tandem mass spectrometry experiments. This unsettled controversy is not trivial, since only a very low degree of scrambling is tolerable...... if collision-induced dissociation (CID) should provide reliable site-specific information from (1)H/(2)H exchange experiments. We have explored a series of unique, regioselectively deuterium-labeled peptides as model systems to probe for intramolecular amide hydrogen migration under low-energy collisional...... are protected against exchange with the solvent, while the amide hydrogens of the nonbinding sequences exchange rapidly with the solvent. We have utilized such long-lived complexes to generate peptides labeled with deuterium in either the binding or nonbinding region, and the expected regioselectivity...

48 CFR 1515.404-470 - Policy.

Science.gov (United States)

2010-10-01

... METHODS AND CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 1515.404-470 Policy. (a) The Agency... contractor. (b) The purpose of EPA's structured approach is: (1) To provide a standard method of evaluation...

6-Substituted 3,4-dihydro-naphthalene-2-carboxylic acids: synthesis and structure-activity studies in a novel class of human 5alpha reductase inhibitors.

Science.gov (United States)

Baston, Eckhard; Salem, Ola I A; Hartmann, Rolf W

2002-10-01

Novel 3,4-dihydro-naphthalene-2-carboxylic acids were synthesized and evaluated for 5alpha reductase inhibitory activity. This enzyme exists in two isoforms and is a pharmacological target for the treatment of benign prostatic hyperplasia, male pattern baldness and acne. In the present study non-steroidal compounds capable of mimicking the transition state of the steroidal substrates were prepared. The synthetic strategy for the preparation of compounds 1-6 consisted of triflation followed by subsequent Heck-type carboxylation or methoxy carbonylation for 6-phenyl-3,4-dihydronaphthalen-2(1H)-one 1c. A Negishi-type coupling reaction between 6-(trifluoro-methanesulfonyloxy)-3,4-dihydro-naphthalene-2-carboxylic acid methyl ester 7b and various aryl bromides led, after further transformations, to 6-substituted 3,4-dihydro-naphthalene-2-carboxylic acids 7-15. In a similar way the corresponding naphthalene-2-carboxylic acids 16 and 17 were obtained. The DU 145 cell line and prostate homogenates served as enzyme sources for the human type 1 and type 2 isozymes, whereas ventral prostate was employed to evaluate rat isozyme inhibitory potency. The most active inhibitors identified in this study were 6-[4-(N,N-dicyclohexylaminocarbonyl)phenyl]-3,4-dihydro-naphthalene-2-carboxylic acid (3) (IC50 = 0.09 microM, rat type 1), 6-[3-(N,N-dicyclohexylaminocarbonyl)phenyl]-3,4-dihydro-naphthalene-2-carboxylic acid (13) (IC50 = 0.75 microM, human type 2; IC50 = 0.81 microM, human type 1) and 6-[4-(N,N-diisopropylamino-carbonyl)phenyl]naphthalene-2-carboxylic acid (16) (IC50 = 0.2 microM, human type 2). The latter compound was shown to deactivate the enzyme in an uncompetitive manner (Ki = 90 nM; Km, Testosterone = 0.8-1.0 microM) similar to the steroidal inhibitor Epristeride. Select inhibitors (13 and 16) were tested in vivo using testosterone propionate-treated, juvenile, orchiectomized SD-rats. None of the compounds was active at a dose of 25 mg/kg. This result might in part be

Synthesis and antituberculosis activity of new fatty acid amides.

Science.gov (United States)

D'Oca, Caroline Da Ros Montes; Coelho, Tatiane; Marinho, Tamara Germani; Hack, Carolina Rosa Lopes; Duarte, Rodrigo da Costa; da Silva, Pedro Almeida; D'Oca, Marcelo Gonçalves Montes

2010-09-01

This work reports the synthesis of new fatty acid amides from C16:0, 18:0, 18:1, 18:1 (OH), and 18:2 fatty acids families with cyclic and acyclic amines and demonstrate for the first time the activity of these compounds as antituberculosis agents against Mycobacterium tuberculosis H(37)Rv, M. tuberculosis rifampicin resistance (ATCC 35338), and M. tuberculosis isoniazid resistance (ATCC 35822). The fatty acid amides derivate from ricinoleic acid were the most potent one among a series of tested compounds, with a MIC 6.25 microg/mL for resistance strains. Copyright 2010 Elsevier Ltd. All rights reserved.

The temperature dependent amide I band of crystalline acetanilide

Energy Technology Data Exchange (ETDEWEB)

Cruzeiro, Leonor [CCMAR, Universidade do Algarve, Campus de Gambelas, 8005-139 Faro (Portugal); Physics Department, FCT, Universidade do Algarve, Campus de Gambelas, 8005-139 Faro (Portugal); Freedman, Holly [CCMAR, Universidade do Algarve, Campus de Gambelas, 8005-139 Faro (Portugal)

2013-10-01

The temperature dependent anomalous peak in the amide I band of crystalline acetanilide is thought to be due to self-trapped states. On the contrary, according to the present model, the anomalous peak comes from the fraction of ACN molecules strongly hydrogen-bonded to a neighboring ACN molecule, and its intensity decreases because, on average, this fraction decreases as temperature increases. This model provides, for the first time, an integrated and theoretically consistent view of the temperature dependence of the full amide I band and a qualitative explanation of some of the features of nonlinear pump–probe experiments.

The temperature dependent amide I band of crystalline acetanilide

Science.gov (United States)

Cruzeiro, Leonor; Freedman, Holly

2013-10-01

The temperature dependent anomalous peak in the amide I band of crystalline acetanilide is thought to be due to self-trapped states. On the contrary, according to the present model, the anomalous peak comes from the fraction of ACN molecules strongly hydrogen-bonded to a neighboring ACN molecule, and its intensity decreases because, on average, this fraction decreases as temperature increases. This model provides, for the first time, an integrated and theoretically consistent view of the temperature dependence of the full amide I band and a qualitative explanation of some of the features of nonlinear pump-probe experiments.

The temperature dependent amide I band of crystalline acetanilide

International Nuclear Information System (INIS)

Cruzeiro, Leonor; Freedman, Holly

2013-01-01

The temperature dependent anomalous peak in the amide I band of crystalline acetanilide is thought to be due to self-trapped states. On the contrary, according to the present model, the anomalous peak comes from the fraction of ACN molecules strongly hydrogen-bonded to a neighboring ACN molecule, and its intensity decreases because, on average, this fraction decreases as temperature increases. This model provides, for the first time, an integrated and theoretically consistent view of the temperature dependence of the full amide I band and a qualitative explanation of some of the features of nonlinear pump–probe experiments.

20 CFR 404.1519s - Authorizing and monitoring the consultative examination.

Science.gov (United States)

2010-04-01

... examination. 404.1519s Section 404.1519s Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE...-day responsibility for the consultative examination process rests with the State agencies that make... appropriate rates of payment for purchased medical services. (d) Each State agency will be responsible for...

20 CFR 404.1575 - Evaluation guides if you are self-employed.

Science.gov (United States)

2010-04-01

.... 404.1575 Section 404.1575 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE... you are working or have worked as a self-employed person, we will use the provisions in paragraphs (a... they are appropriate, whether in connection with your application for disability benefits (when we make...

20 CFR 404.929 - Hearing before an administrative law judge-general.

Science.gov (United States)

2010-04-01

... evidence used in making the determination or decision under review, and present and question witnesses. The... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Hearing before an administrative law judge-general. 404.929 Section 404.929 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE...

Direct Amination of alpha-Hydroxy Amides

NARCIS (Netherlands)

Chandgude, Ajay L.; Dömling, Alexander

A TiCl4-mediated reaction for the direct amination of alpha-hydroxy amides has been developed. This simple, general, additive/base/ligand-free reaction is mediated by economical TiCl4. The reaction runs under mild conditions. This highly efficient C-N bond formation protocol is valid for diverse

Mechanistic insight into benzenethiol catalyzed amide bond formations from thioesters and primary amines

DEFF Research Database (Denmark)

Stuhr-Hansen, Nicolai; Bork, Nicolai; Strømgaard, Kristian

2014-01-01

The influence of arylthiols on cysteine-free ligation, i.e. the reaction between an alkyl thioester and a primary amine forming an amide bond, was studied in a polar aprotic solvent. We reacted the ethylthioester of hippuric acid with cyclohexylamine in the absence or presence of various quantities...... of thiophenol (PhSH) in a slurry of disodium hydrogen phosphate in dry DMF. Quantitative conversions into the resulting amide were observed within a few hours in the presence of equimolar amounts of thiophenol. Ab initio calculations showed that the reaction mechanism in DMF is similar to the well-known aqueous...... reaction mechanism. The energy barrier of the catalyzed amidation reaction is approximately 40 kJ mol(-1) lower than the non-catalyzed amidation reaction. At least partially this can be explained by a hydrogen bond from the amine to the π-electrons of the thiophenol, stabilizing the transition state...

Biomimetic L-aspartic acid-derived functional poly(ester amide)s for vascular tissue engineering.

Science.gov (United States)

Knight, Darryl K; Gillies, Elizabeth R; Mequanint, Kibret

2014-08-01

Functionalization of polymeric biomaterials permits the conjugation of cell signaling molecules capable of directing cell function. In this study, l-phenylalanine and l-aspartic acid were used to synthesize poly(ester amide)s (PEAs) with pendant carboxylic acid groups through an interfacial polycondensation approach. Human coronary artery smooth muscle cell (HCASMC) attachment, spreading and proliferation was observed on all PEA films. Vinculin expression at the cell periphery suggested that HCASMCs formed focal adhesions on the functional PEAs, while the absence of smooth muscle α-actin (SMαA) expression implied the cells adopted a proliferative phenotype. The PEAs were also electrospun to yield nanoscale three-dimensional (3-D) scaffolds with average fiber diameters ranging from 130 to 294nm. Immunoblotting studies suggested a potential increase in SMαA and calponin expression from HCASMCs cultured on 3-D fibrous scaffolds when compared to 2-D films. X-ray photoelectron spectroscopy and immunofluorescence demonstrated the conjugation of transforming growth factor-β1 to the surface of the functional PEA through the pendant carboxylic acid groups. Taken together, this study demonstrates that PEAs containing aspartic acid are viable biomaterials for further investigation in vascular tissue engineering. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Segmented poly(ether ester)s and poly(ether ester amide)s for use in tissue engineering

OpenAIRE

Deschamps, A.A.

2002-01-01

The objective of the studies described in this thesis is to investigate the applicability of these slowly degradable thermoplastic elastomers as scaffolds for tissue engineering, with emphasis on their phase separation and degradation properties. A second thermoplastic elastomer in which the terephthalic moieties have been replaced by ester-amide segments, is also investigated for use in scaffolding.

20 CFR 404.1519k - Purchase of medical examinations, laboratory tests, and other services.

Science.gov (United States)

2010-04-01

... Standards for the Type of Referral and for Report Content § 404.1519k Purchase of medical examinations... determinations of disability may not exceed the highest rate paid by Federal or public agencies in the State for the same or similar types of service. See §§ 404.1624 and 404.1626 of this part. (b) If a physician's...

A molecular mechanics (MM3(96)) force field for metal-amide complexes

International Nuclear Information System (INIS)

Hay, B.P.; Clement, O.; Sandrone, G.; Dixon, D.A.

1998-01-01

A molecular mechanics (MM3(96)) force field is reported for modeling metal complexes of amides in which the amide is coordinated through oxygen. This model uses a points-on-a-sphere approach which involves the parameterization of the Msingle bondO stretch, the Msingle bondO double-bond C bend, and the Msingle bondO double-bond Csingle bondX (X = C, H, N) torsion interactions. Relationships between force field parameters and metal ion properties (charge, ionic radius, and electronegativity) are presented that allow the application of this model to a wide range of metal ions. The model satisfactorily reproduces the structures of over fifty amide complexes with the alkaline earths, transition metals, lanthanides, and actinides

Comparing Amide-Forming Reactions Using Green Chemistry Metrics in an Undergraduate Organic Laboratory

Science.gov (United States)

Fennie, Michael W.; Roth, Jessica M.

2016-01-01

In this laboratory experiment, upper-division undergraduate chemistry and biochemistry majors investigate amide-bond-forming reactions from a green chemistry perspective. Using hydrocinnamic acid and benzylamine as reactants, students perform three types of amide-forming reactions: an acid chloride derivative route; a coupling reagent promoted…

20 CFR 404.1565 - Your work experience as a vocational factor.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Your work experience as a vocational factor. 404.1565 Section 404.1565 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE..., machinery, and equipment you used. We will need to know about the amount of walking, standing, sitting...

Pd-Catalyzed N-Arylation of Secondary Acyclic Amides: Catalyst Development, Scope, and Computational Study

Science.gov (United States)

Hicks, Jacqueline D.; Hyde, Alan M.; Cuezva, Alberto Martinez; Buchwald, Stephen L.

2009-01-01

We report the efficient N-arylation of acyclic secondary amides and related nucleophiles with aryl nonaflates, triflates, and chlorides. This method allows for easy variation of the aromatic component in tertiary aryl amides. A new biaryl phosphine with P-bound 3,5-(bis)trifluoromethylphenyl groups was found to be uniquely effective for this amidation. The critical aspects of the ligand were explored through synthetic, mechanistic, and computational studies. Systematic variation of the ligand revealed the importance of (1) a methoxy group on the aromatic carbon of the “top ring” ortho to the phosphorus and (2) two highly electron-withdrawing P-bound 3,5-(bis)trifluoromethylphenyl groups. Computational studies suggest the electron-deficient nature of the ligand is important in facilitating amide binding to the LPd(II)(Ph)(X) intermediate. PMID:19886610

Biodegradable gadolinium-chelated cationic poly(urethane amide) copolymers for gene transfection and magnetic resonance imaging

Energy Technology Data Exchange (ETDEWEB)

Gao, Xiaolong [Department of Radiology, Tongji Hospital, Tongji University School of Medicine, Shanghai 200065 (China); Wang, Gangmin [Department of Urology, Huashan Hospital, Fudan University, Shanghai 200040 (China); Shi, Ting [The Institute for Translational Nanomedicine, Shanghai East Hospital, Institute for Biomedical Engineering and Nanoscience, Tongji University School of Medicine, Shanghai 200092 (China); Shao, Zhihong [Department of Radiology, Tongji Hospital, Tongji University School of Medicine, Shanghai 200065 (China); Zhao, Peng; Shi, Donglu [The Institute for Translational Nanomedicine, Shanghai East Hospital, Institute for Biomedical Engineering and Nanoscience, Tongji University School of Medicine, Shanghai 200092 (China); Ren, Jie [Institute of Nano and Biopolymeric Materials, School of Materials Science and Engineering, Tongji University, 4800 Caoan Road, Shanghai 201804 (China); Lin, Chao, E-mail: chaolin@tongji.edu.cn [The Institute for Translational Nanomedicine, Shanghai East Hospital, Institute for Biomedical Engineering and Nanoscience, Tongji University School of Medicine, Shanghai 200092 (China); Wang, Peijun, E-mail: tjpjwang@sina.com [Department of Radiology, Tongji Hospital, Tongji University School of Medicine, Shanghai 200065 (China)

2016-08-01

Theranostic nano-polyplexes containing gene and imaging agents hold a great promise for tumor diagnosis and therapy. In this work, we develop a group of new gadolinium (Gd)-chelated cationic poly(urethane amide)s for gene delivery and T{sub 1}-weighted magnetic resonance (MR) imaging. Cationic poly(urethane amide)s (denoted as CPUAs) having multiple disulfide bonds, urethane and amide linkages were synthesized by stepwise polycondensation reaction between 1,4-bis(3-aminopropyl)piperazine and a mixture of di(4-nitrophenyl)-2, 2′-dithiodiethanocarbonate (DTDE-PNC) and diethylenetriaminepentaacetic acid (DTPA) dianhydride at varied molar ratios. Then, Gd-chelated CPUAs (denoted as GdCPUAs) were produced by chelating Gd(III) ions with DTPA residues of CPUAs. These GdCPUAs could condense gene into nanosized and positively-charged polyplexes in a physiological condition and, however, liberated gene in an intracellular reductive environment. In vitro transfection experiments revealed that the GdCPUA at a DTDE-PNC/DTPA residue molar ratio of 85/15 induced the highest transfection efficiency in different cancer cells. This efficiency was higher than that yielded with 25 kDa branched polyethylenimine as a positive control. GdCPUAs and their polyplexes exhibited low cytotoxicity when an optimal transfection activity was detected. Moreover, GdCPUAs may serve as contrast agents for T{sub 1}-weighted magnetic resonance imaging. The results of this work indicate that biodegradable Gd-chelated cationic poly(urethane amide) copolymers have high potential for tumor theranostics. - Highlights: • Novel cationic gadolinium-chelated poly(urethane amide)s (GdCPUAs) are prepared. • GdCPUAs can induce a high transfection efficacy in different cancer cells. • GdCPUAs reveal good cyto-compatibility against cancer cells. • GdCPUAs may be applied as T{sub 1}-contrast agents for magnetic resonance imaging. • GdCPUAs hold high potential for cancer theranostics.

Biodegradable gadolinium-chelated cationic poly(urethane amide) copolymers for gene transfection and magnetic resonance imaging

International Nuclear Information System (INIS)

Gao, Xiaolong; Wang, Gangmin; Shi, Ting; Shao, Zhihong; Zhao, Peng; Shi, Donglu; Ren, Jie; Lin, Chao; Wang, Peijun

2016-01-01

Theranostic nano-polyplexes containing gene and imaging agents hold a great promise for tumor diagnosis and therapy. In this work, we develop a group of new gadolinium (Gd)-chelated cationic poly(urethane amide)s for gene delivery and T 1 -weighted magnetic resonance (MR) imaging. Cationic poly(urethane amide)s (denoted as CPUAs) having multiple disulfide bonds, urethane and amide linkages were synthesized by stepwise polycondensation reaction between 1,4-bis(3-aminopropyl)piperazine and a mixture of di(4-nitrophenyl)-2, 2′-dithiodiethanocarbonate (DTDE-PNC) and diethylenetriaminepentaacetic acid (DTPA) dianhydride at varied molar ratios. Then, Gd-chelated CPUAs (denoted as GdCPUAs) were produced by chelating Gd(III) ions with DTPA residues of CPUAs. These GdCPUAs could condense gene into nanosized and positively-charged polyplexes in a physiological condition and, however, liberated gene in an intracellular reductive environment. In vitro transfection experiments revealed that the GdCPUA at a DTDE-PNC/DTPA residue molar ratio of 85/15 induced the highest transfection efficiency in different cancer cells. This efficiency was higher than that yielded with 25 kDa branched polyethylenimine as a positive control. GdCPUAs and their polyplexes exhibited low cytotoxicity when an optimal transfection activity was detected. Moreover, GdCPUAs may serve as contrast agents for T 1 -weighted magnetic resonance imaging. The results of this work indicate that biodegradable Gd-chelated cationic poly(urethane amide) copolymers have high potential for tumor theranostics. - Highlights: • Novel cationic gadolinium-chelated poly(urethane amide)s (GdCPUAs) are prepared. • GdCPUAs can induce a high transfection efficacy in different cancer cells. • GdCPUAs reveal good cyto-compatibility against cancer cells. • GdCPUAs may be applied as T 1 -contrast agents for magnetic resonance imaging. • GdCPUAs hold high potential for cancer theranostics.

31 CFR 596.404 - Financial transactions transferred through a bank of a Terrorism List Government.

Science.gov (United States)

2010-07-01

... through a bank of a Terrorism List Government. 596.404 Section 596.404 Money and Finance: Treasury... TREASURY TERRORISM LIST GOVERNMENTS SANCTIONS REGULATIONS Interpretations § 596.404 Financial transactions transferred through a bank of a Terrorism List Government. For the purposes of this part only, a financial...

20 CFR 404.344 - Your relationship by marriage to the insured.

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Your relationship by marriage to the insured...; Period of Disability Benefits for Spouses and Divorced Spouses § 404.344 Your relationship by marriage to..., widow, or widower is based upon a deemed valid marriage as described in § 404.346. ...

An Efficient Computational Model to Predict Protonation at the Amide Nitrogen and Reactivity along the C–N Rotational Pathway

Science.gov (United States)

Szostak, Roman; Aubé, Jeffrey

2015-01-01

N-protonation of amides is critical in numerous biological processes, including amide bonds proteolysis and protein folding, as well as in organic synthesis as a method to activate amide bonds towards unconventional reactivity. A computational model enabling prediction of protonation at the amide bond nitrogen atom along the C–N rotational pathway is reported. Notably, this study provides a blueprint for the rational design and application of amides with a controlled degree of rotation in synthetic chemistry and biology. PMID:25766378

Indoline Amide Glucosides from Portulaca oleracea: Isolation, Structure, and DPPH Radical Scavenging Activity.

Science.gov (United States)

Jiao, Ze-Zhao; Yue, Su; Sun, Hong-Xiang; Jin, Tian-Yun; Wang, Hai-Na; Zhu, Rong-Xiu; Xiang, Lan

2015-11-25

A polyamide column chromatography method using an aqueous ammonia mobile phase was developed for large-scale accumulation of water-soluble indoline amide glucosides from a medicinal plant, Portulaca oleracea. Ten new [oleraceins H, I, K, L, N, O, P, Q, R, S (1-10)] and four known [oleraceins A-D (11-14)] indoline amide glucosides were further purified and structurally characterized by various chromatographic and spectroscopic methods. The DPPH radical scavenging activities of oleraceins K (5) and L (6), with EC50 values of 15.30 and 16.13 μM, respectively, were twice that of a natural antioxidant, vitamin C; the EC50 values of the 12 other indoline amides, which ranged from 29.05 to 43.52 μM, were similar to that of vitamin C. Structure-activity relationships indicated that the DPPH radical scavenging activities of these indoline amides correlate with the numbers and positions of the phenolic hydroxy groups.

Application of N,N-dialkyl aliphatic amides in the separation of some actinides

International Nuclear Information System (INIS)

Gasparini, G.M.; Grossi, G.

1980-01-01

N,N-dialkyl substituted alkyl amides are known to be good extractants of some actinides such as U, Pu, and Th. Their stability is comparable to that of TBP, and their degradation products do not interfere as do the degradation products of TBP. On the other hand, the principal disadvantage of the amides is their tendency to form poorly soluble U adducts in organic diluents. A systematic investigation has been carried out on the extractive behavior of two typical alkyl amides of different structures with respect to the actinide ions UO/sub 2/ /sup 2+/, Th /sup 4+/, Np /sup +4/, Pu /sup +4/, NpO /sub 2/ /sup 2+/, PuO /sub 2/ / sup 2+/, Pu /sup 3+/, and Am /sup 3+/, as well as with respect to the most significant fission products. The results obtained have been compared with those obtained using TBP in the same experimental conditions, verifying the applicability of amides in the separation of U from Th

Characteristics of OTFTs based on α-ω- Dihexyl-sexithiophene(DH6T) using Organic Molecular Beam Deposition

International Nuclear Information System (INIS)

Han, Dae Hee; Park, Byung Eun

2011-01-01

We fabricated an organic thin film transistor using organic semiconductor material α-ω- Dihexyl-sexithiophene (DH6T). The organic semiconductor was deposited using organic molecular beam deposition (OMBD). The deposition rate was 0.3A/s and the final thickness was 100 nm. After deposition, we annealed at 40 deg. C, 60 deg. C, 80 deg. C. In present, DH6T was used as a p-type semiconductor, so we measured 0V∼-40V. We measured drain current versus drain voltage, drain current versus gate voltage, calculated mobility and On/Off ratio at 40 deg. C, 60 deg. C, 80 deg. C. The field-effect mobility was 8x10- 3 , 9x10- 3 , 1.2x10- 2 , and on/off ratio was 1.75x10- 2 , 1.85x10- 2 , 2.17x10- 2 , respectively.

48 CFR 1415.404-4 - Profit.

Science.gov (United States)

2010-10-01

... CONTRACT TYPES CONTRACTING BY NEGOTIATION Contract Pricing 1415.404-4 Profit. (a) DOI's policy is to use a... also refer to the Armed Services Pricing Manual (ASPM No. 1). The “Other Costs” factor shall include...