Synthesis and characterization of new 2-amino-4-(substituted phenyl-6-(7’’-methoxy, 3’’,4’’-dihydro, 2’’,2’’-dimethyl-2hbenzopyran pyrimidines and their bio evaluation

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Murthy Y.L.N.

2012-01-01

Full Text Available A series of eight novel 2-amino-4-(substituted phenyl-6-(7"- methoxy, 3",4"-dihydro, 2",2"-dimethyl-2H-benzopyran pyrimidines were designed and synthesized by utilizing benzene-1,3-diol as starting material. The structures of the isolated products (6a-h were established through 1HNMR, 13C-NMR, and FT-IR spectroscopic techniques and elemental analysis. The synthesized compounds were utilized for screening antimicrobial properties against gram positive (Bacillus pumilus, Bacillus subtilis, Streptococcus faecalis, gram negative bacteria (Enterococcus faecalis, Escheria coli, Proteus vulgaris and fungi (Pencillian expasom, Aspergillus niger, Candida albicans using Ampicillin and Ketoconazole. Most of the compounds showed moderate to high antibacterial and antifungal activities against studied strains with inhibition zones between 8 and 30 mm.

Characterization of methacetin-methoxy-"1"3C

International Nuclear Information System (INIS)

Lu Weijing; Lu Hao; Yang Weicheng; Liu Weixia; Li Shuai; Xu Zhongjie; Guan Liang; Zhu Chengmo; Chen Suyun; Jiang Lei

2010-01-01

Methacetin-methoxy-"1"3C was synthesized by using methanol-"1"3C with a novel method, and the characterization of it was performed using HPLC, LC-MS and "1HMNR. The results indicated that the synthetic was right. And the yield of methacetin-methoxy-"1"3C was 70.0% with 99% "1"3C abundance and 99.8% purity. Compared with the classical method, there was more benefit. The methacetin "1"3C-breath test was performed with the synthetic on the live mice, which showed a precise reflection of alteration of liver function in liver injury and functional recovery. (authors)

Synthesis and antimicrobial activity of some new substituted 9-(1H-Pyrazolo [3, 4-b] Quinolin-1-YL) Acridines

International Nuclear Information System (INIS)

Thakor, S.; Parmar, P.; Patel, M.; Patel, R.

2008-01-01

2-chloro-6-methyl/methoxy-3-formylquinoline upon condensation with substituted 9-hydrazino-acridine afforded corresponding hydrazones which were cyclized under alkaline condition to give 9-(6-substituted-1H-pyrazolo [3, 4-b] quinolin-1-yl) acridine analoges. All of the synthesized compounds were characterized by their elemental analysis, IR and NMR spectral studies. Biological screenings of the prepared compounds have been screened on some strain of bacteria and fungus. (author)

Preparation of N(1-ethyl-2-pyrrolidyl-methyl)2-methoxy-4-iodo-125I-5-ethyl sulfonyl benzamide: a radioligand for the radioimmunoassay of sulpiride-related compounds

International Nuclear Information System (INIS)

Cardoso, M.T.; Pradelles, P.

1982-01-01

The preparation of 125 I labelling with a higher specific radioactivity of N(1-ethyl-2-pyrrolidyl-methyl)2-methoxy-5-ethyl sulfonyl benzamide, a potent biological analogue for sulpiride is described. The incorporation of iodine in the molecule was achieved by the substitution of aromatic amino groups via the diazo compound. Binding and immunological parameters of iodinated and tritiated tracers were compared. (author)

Development of an approach for the synthesis of 3-dehydroxy-4methoxy tubastrine

International Nuclear Information System (INIS)

Santos, Kelly de Oliveira; Craveiro, Marcus Vinicius; Berlinck, Roberto G.S.

2007-01-01

We report the synthesis of amino(2-hydroxy-2-(4-methoxy phenyl)ethylamino)methaniminium (14) as a direct precursor of a tubastrine derivative (3-dehydroxy-4-methoxy tubastrine). The synthetic steps involved functional group interconversions starting from 1-(4-methoxy phenyl)ethanone to obtain the guanidine-protected derivative 13. Tentative dehydration of 13 with SiOH-adsorbed CuSO 4 resulted in guanidine deprotection only. This was an unexpected result, since there are no reports of CuSO 4 .SiOH as Boc-deprotecting of guanidines. The product 14 was obtained in five steps and 5.4 % overall yield, and constitutes a direct precursor of 3-dehydroxy-4-methoxy tubastrine. (author)

Conformational differences between the methoxy groups of QA and QB site ubisemiquinones in bacterial reaction centers: a key role for methoxy group orientation in modulating ubiquinone redox potential.

Science.gov (United States)

Taguchi, Alexander T; O'Malley, Patrick J; Wraight, Colin A; Dikanov, Sergei A

2013-07-09

Ubiquinone is an almost universal, membrane-associated redox mediator. Its ability to accept either one or two electrons allows it to function in critical roles in biological electron transport. The redox properties of ubiquinone in vivo are determined by its environment in the binding sites of proteins and by the dihedral angle of each methoxy group relative to the ring plane. This is an attribute unique to ubiquinone among natural quinones and could account for its widespread function with many different redox complexes. In this work, we use the photosynthetic reaction center as a model system for understanding the role of methoxy conformations in determining the redox potential of the ubiquinone/semiquinone couple. Despite the abundance of X-ray crystal structures for the reaction center, quinone site resolution has thus far been too low to provide a reliable measure of the methoxy dihedral angles of the primary and secondary quinones, QA and QB. We performed 2D ESEEM (HYSCORE) on isolated reaction centers with ubiquinones (13)C-labeled at the headgroup methyl and methoxy substituents, and have measured the (13)C isotropic and anisotropic components of the hyperfine tensors. Hyperfine couplings were compared to those derived by DFT calculations as a function of methoxy torsional angle allowing estimation of the methoxy dihedral angles for the semiquinones in the QA and QB sites. Based on this analysis, the orientation of the 2-methoxy groups are distinct in the two sites, with QB more out of plane by 20-25°. This corresponds to an ≈50 meV larger electron affinity for the QB quinone, indicating a substantial contribution to the experimental difference in redox potentials (60-75 mV) of the two quinones. The methods developed here can be readily extended to ubiquinone-binding sites in other protein complexes.

"1H and "1"3C NMR Data on Hydroxy/methoxy Flavonoids and the Effects of Substituents on Chemical Shifts

International Nuclear Information System (INIS)

Yoon, Hyuk; Eom, Sung Lock; Hyun, Ji Ye; Jo, Geun Hyeong; Hwang, Do Seok; Lee, Sun Hee; Yong, Yeon Joong; Lee, Young Han; Lim, Yoong Ho; Park, Jun Cheol

2011-01-01

Polyphenols have recently been examined for such applications, and they are classified based on their carbon skeletons: phenolic acids with C6-C1 skeleton, hydrocinammates with C6-C_3 skeleton, stilbenes with C6-C2-C6 skeleton, and flavonoids with C6-C_3-C6 skeleton.2 Of these compounds, flavonoids are ubiquitously found in most plants. Since flavonoids belong to polyphenols, they have many hydroxy groups. From a bioavailability point of view, hydroxy groups prevent cell membrane transport, and hydroxyflavonoids can be metabolized by O-methyltransferases. However, methoxylated flavonoids may not have these problems. Hydroxylated or methoxylated flavonoids are found from natural sources. Nuclear magnetic resonance (NMR) spectroscopy is widely used to identify different compounds including hydroxylated or methoxylated flavonoids. Because the position and the number of substituted hydroxy or/and methoxy groups will change the "1H and "1"3C chemical shifts, it is important to understand these changes so that the structures of newly isolated hydroxy/methoxy-flavonoids can be easily identified

Catalytic hydrodeoxygenation of 2-methoxy phenol and dibenzofuran over Pt/mesoporous zeolites

International Nuclear Information System (INIS)

Lee, Hyung Won; Jun, Bo Ram; Kim, Hannah; Kim, Do Heui; Jeon, Jong-Ki; Park, Sung Hoon; Ko, Chang Hyun; Kim, Tae-Wan; Park, Young-Kwon

2015-01-01

The hydrodeoxygenation of 2-methoxy phenol and dibenzofuran, which are representative model compounds of bio-oil, was performed using two different Pt/mesoporous zeolite catalysts, Pt/mesoporous Y and Pt/mesoporous MFI. The reforming of 2-methoxy phenol and dibenzofuran via catalytic hydrodeoxygenation was investigated using a batch reactor at 40 bar and 250 °C. The characteristics of the catalysts were analyzed by N 2 adsorption-desorption, X-ray diffraction, and NH 3 temperature programmed desorption. Pt/mesoporous zeolite catalysts containing both strong acid sites and mesopores showed the higher conversion of 2-methoxy phenol than Pt/SiO 2 and Pt/Si-MCM-48 with no acid sites, Pt/γ-Al 2 O 3 , and a mixture of mesoporous Y and Pt/SiO 2 , indicating the importance of both Pt and strong acid sites for high catalytic activity. Among the two Pt/mesoporous zeolite catalysts tested, the conversion of 2-methoxy phenol to cyclohexane over Pt/mesoporous Y was much higher than that over the Pt/mesoporous MFI. This was attributed to the better textural properties, such as surface area, pore volume and micropore size, compared to those of Pt/mesoporous MFI. The catalytic conversions of dibenzofuran obtained using two Pt/mesoporous zeolite catalysts were similar and the main products were 1,1′-bicyclohexyl, cyclopentylmethyl-cyclohexane and cyclohexane. In addition, the reaction mechanisms of 2-methoxy phenol and dibenzofuran over Pt/mesoporous zeolite were suggested. - Highlights: • HDO of 2-methoxy phenol and dibenzofuran was performed over Pt/mesoporous zeolites. • Pt/mesoporous zeolites have mesopores and strong acid sites. • Main product of HDO of 2-methoxy phenol was cyclohexane. • Main products of HDO of dibenzofuran were bicyclohexyl (BCH), i-BCH, and cyclohexane

Novel organic dyes based on phenyl-substituted benzimidazole for dye sensitized solar cells

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Saltan, Gözde Murat [Department of Chemistry, Faculty of Arts and Science, Celal Bayar University, Yunus Emre, 45140 Manisa (Turkey); Dinçalp, Haluk, E-mail: haluk.dincalp@cbu.edu.tr [Department of Chemistry, Faculty of Arts and Science, Celal Bayar University, Yunus Emre, 45140 Manisa (Turkey); Kıran, Merve; Zafer, Ceylan [Solar Energy Institute, Ege University, Bornova, 35100 Izmir (Turkey); Erbaş, Seçil Çelik [Celal Bayar University, Materials Engineering Department, Faculty of Engineering, Yunus Emre, 45140 Manisa (Turkey)

2015-08-01

Two new sensitizers derived from benzimidazole core for dye-sensitized solar cell (DSSC) applications were designed and synthesized as D–π–A structures, in which two phenyl-substituted benzimidazole group, a phenyl ring and a cyanoacrylic acid were used as the electron donor, π-conjugated linkage and the electron acceptor, respectively. Effect of methoxy- and N,N-dimetylamino- moieties attached to the phenyl groups of benzimidazole were investigated by means of optical and photovoltaic measurements. The compounds exhibit broad absorption maximum at 387 nm with the tail extending up to 500 nm on TiO{sub 2}-coated thin film. The longer wavelength absorption band around 360 nm and the much longer decay components could be attributed to the existence of charge transfer state of the dyes in solutions. DSSC device fabricated by using methoxy substituted dye (BI5a) as a sensitizer shows much better incident photon-to-current conversion efficiency (IPCE) of 64% giving cell efficiency of 2.68%. - Graphical abstract: Display Omitted - Highlights: • Long decay times suggest the delayed fluorescence caused by the existence of ICT. • The best solar energy conversion efficiency was obtained for BI5a dye (2.68%). • More fluorescent BI5a dye gives higher photocurrent generation.

Novel organic dyes based on phenyl-substituted benzimidazole for dye sensitized solar cells

International Nuclear Information System (INIS)

Saltan, Gözde Murat; Dinçalp, Haluk; Kıran, Merve; Zafer, Ceylan; Erbaş, Seçil Çelik

2015-01-01

Two new sensitizers derived from benzimidazole core for dye-sensitized solar cell (DSSC) applications were designed and synthesized as D–π–A structures, in which two phenyl-substituted benzimidazole group, a phenyl ring and a cyanoacrylic acid were used as the electron donor, π-conjugated linkage and the electron acceptor, respectively. Effect of methoxy- and N,N-dimetylamino- moieties attached to the phenyl groups of benzimidazole were investigated by means of optical and photovoltaic measurements. The compounds exhibit broad absorption maximum at 387 nm with the tail extending up to 500 nm on TiO 2 -coated thin film. The longer wavelength absorption band around 360 nm and the much longer decay components could be attributed to the existence of charge transfer state of the dyes in solutions. DSSC device fabricated by using methoxy substituted dye (BI5a) as a sensitizer shows much better incident photon-to-current conversion efficiency (IPCE) of 64% giving cell efficiency of 2.68%. - Graphical abstract: Display Omitted - Highlights: • Long decay times suggest the delayed fluorescence caused by the existence of ICT. • The best solar energy conversion efficiency was obtained for BI5a dye (2.68%). • More fluorescent BI5a dye gives higher photocurrent generation

Bioreduction of substituted α-tetralones promoted by Daucus carota root

International Nuclear Information System (INIS)

Ferraz, Helena M.C.; Bianco, Graziela G.; Bombonato, Fernanda I.; Andrade, Leandro H.; Porto, Andre L.M.

2008-01-01

The bioreduction of a series of substituted α-tetralones, carried out using Daucus carota root (carrot), afforded the corresponding homochiral α-tetralols in variable conversions (9 to 90%) and excellent enantiomeric excesses. Two of the assayed α-tetralones were resistant to the bioreduction conditions. The absolute configurations of four α-tetralols were assigned as being (S), by comparison to the (S)-enantiomers obtained by kinetic resolution promoted by CALB-catalysed acetylation. Additionally, the new 5-methoxy-6-methyl-1-tetralone was synthesized in seven steps from 3-methylsalicylic acid. (author)

2-Methoxy-4,6-diphenylnicotinonitrile

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Joel T. Mague

2014-02-01

Full Text Available In the title compound, C19H14N2O, the phenyl rings form dihedral angles of 10.90 (10 and 42.14 (6° with pyridine ring and an angle of 35.7 (2° with each other. The orientation of the methoxy group is defined by the C—O—C—N torsion angle of 4.9 (2°.

SYNTHESIS OF 4-ALLYL-2-METHOXY-6-AMINOPHENOL FROM NATURAL EUGENOL

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I Made Sudarma

2010-06-01

Full Text Available The aim of this preliminary research was to synthesize derivatives of eugenol such as 4-allyl-2-methoxy-6-nitrophenol (2 and 4-allyl-2-methoxy-6-aminophenol (3. The result could be used as a reference on the transformation of eugenol to its derivatives. Theoriticaly nitration of eugenol (1 by nitric acid could produced 4-allyl-2-methoxy-6-nitrophenol (2 and followed by reduction could achieved 4-allyl-2-mehtoxy-6-aminophenol (3. The formation of this product was analyzed by analytical thin layer chromatography (TLC and GC-MS. These analysis showed the formation of product (2 and (3 were visible. TLC showed product (1 less polar than eugenol and gave orange colour, and supported by GC-MS which showed molecular ion at m/z 209 due to the presence of -NO2 by replacing one H at 6 position of eugenol. Product (3 was afforded by reduction of (2 with Sn/HCl and tlc analysis showed compound (3 more polar than eugenol (1 and (2 and supported by GC-MS which showed molecular ion at m/z 179 due to the presence of -NH2.   Keywords: Synthesis, 4-allyl-2-methoxy-6-aminophenol, Eugenol

Conformational analysis of some 4‧-substituted 2-(phenylselanyl)- 2-(methoxy)- acetophenones

Science.gov (United States)

Traesel, Henrique J.; Olivato, Paulo R.; Valença, J.; Rodrigues, Daniel N. S.; Zukerman-Schpector, Julio; Colle, Maurizio Dal

2018-04-01

A conformational study of some 4‧-substituited 2-(phenylselanyl)-2-(methoxy)-acetophenones (OMe 1, H 2, and Cl 3) was performed using IR carbonyl stretching band analysis supported by NBO and PCM calculations at the B3LYP/6-31 + G (d,p) level for 1-3 and using X-ray diffraction for 1 and 2. The computational results indicated the existence of three stable conformers for the series (c2, c3, and c1 in order of decreasing stability), whose relative abundance changes with solvent permittivity. The experimental trend observed for the components of the triplet carbonyl band in all solvents matches well with computational results and thus allows for their assignment to distinct conformers. The relative population of the c1 conformer increases in more polar solvents, becoming the most stable conformer in the highest permittivity solvent, acetonitrile, as indicated by IR spectra and PCM calculations. These findings are related to the quasi parallel geometry assumed by the Cδ+ = Oδ- and Cδ+-Oδ- dipoles, which favour stronger solvation. NBO analysis shows that the sum of the energies (ΣE) of the relevant orbital interactions stabilizes the c3 conformer of 1-3 slightly, likely due to the minor contribution of the LPO5→σ*C3sbnd Se10 interaction. However, only the c1 conformer is significantly destabilized by the Oδ-(1)CO … Oδ-(5)OMe short contact electrostatic repulsion, which is also responsible for its highest νCO frequency. In addition, the LPO5→ σ*C2sbnd C3 orbital interaction accounts for the lowest νCO frequency of c3 conformer. X-ray single crystal analysis of compounds 1 and 2 indicates that in the solid state they assume the least stable c1 conformation found in the gas phase. Molecules of these compounds are stabilized in the crystal through a series of Csbnd H⋯O and Csbnd H … π intermolecular interactions.

Synthesis, DNA binding and cytotoxic activity of pyrimido[4',5':4,5]thieno(2,3-b)quinoline with 9-hydroxy-4-(3-diethylaminopropylamino) and 8-methoxy-4-(3-diethylaminopropylamino) substitutions.

Science.gov (United States)

KiranKumar, Hulihalli N; RohitKumar, Heggodu G; Advirao, Gopal M

2018-01-01

Two new derivatives of pyrimido[4',5';4,5]thieno(2,3-b)quinoline (PTQ), 9-hydroxy-4-(3-diethylaminopropylamino)pyrimido[4',5';4,5]thieno(2,3-b)quinoline (Hydroxy-DPTQ) and 8-methoxy-4-(3-diethylaminopropylamino)pyrimido[4',5';4,5]thieno(2,3-b)quinoline (Methoxy-DPTQ) were synthesized and their DNA binding ability was analyzed using spectroscopy (UV-visible, fluorescence and circular dichroism), ethidium bromide dye displacement assay, melting temperature (T m ) analysis and computational docking studies. The hypochromism in UV-visible spectrum and increased fluorescence emission of Hydroxy-DPTQ and Methoxy-DPTQ in the presence of DNA suggested the molecule-DNA interaction. The association constants calculated from UV-visible and spectral titrations were of the order 10 4 to 10 6 M -1 . Circular dichroism studies corroborated the induced conformational changes in DNA upon addition of molecules. The change in the ellipticity was observed both in negative and positive peak of DNA, thus, suggesting the intercalation of molecules. The observed displacement of ethidium bromide from the DNA and increased T m , upon addition of DNA confirmed the intercalative mode of binding. This was further validated by computational docking, which showed clear intercalation of molecules into the d(GpC)-d(CpG) site of the receptor DNA. Anticancer activities of these molecules are evaluated by using MTT assay. Both molecules showed antiproliferative activity against all the three cancer cells studied, with Hydroxy-DPTQ being more potential molecule among the two. IC 50 value of Hydroxy-DPTQ and Methoxy-DPTQ were in the range of 3-5μM and 130-250μM, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Interaction between D-fructose dehydrogenase and methoxy-substituent-functionalized carbon surface to increase productive orientations

International Nuclear Information System (INIS)

Xia, Hong-qi; Hibino, Yuya; Kitazumi, Yuki; Shirai, Osamu; Kano, Kenji

2016-01-01

Highlights: • Methoxy-functionalized surface improves the DET-type bioelectrocatalysis of FDH. • Methoxy-functionalized surface increases productive orientations. • The total catalytic activity of FDH is almost independent of the modification. • High current density as well as good stability is useful for biofuel cells. - Abstract: D-Fructose dehydrogenase (FDH) from Gluconobacter japonicus NBRC3260 catalyzes the two-electron oxidation of D-fructose to 5-keto-D-fructose, and it is widely used in biofuel cells and biosensors. In this study, methoxy-substituent-functionalized carbon electrodes are constructed by electrochemical oxidation of methoxy-aniline derivatives on Ketjen Black (KB)-modified electrodes to improve the immobilization and bioelectrocatalysis of FDH. It is proposed that the specific interaction between FDH, especially the heme c moiety, and methoxy substituent(s) of amines on carbon electrode increases the proportion of the productively oriented FDH molecules to the total FDHs. Consequently, the limiting catalytic current density of the D-fructose oxidation increases to as much as 23 ± 2 mA cm −2 in FDH/2,4-dimethoxyaniline/KB/glassy carbon electrode, for example.

Synthesis and Structure-Activity Relationships of Novel Amino/Nitro Substituted 3-Arylcoumarins as Antibacterial Agents

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Ysabel Santos

2013-01-01

Full Text Available A new series of amino/nitro-substituted 3-arylcoumarins were synthesized and their antibacterial activity against clinical isolates of Staphylococcus aureus (Gram-positive and Escherichia coli (Gram-negative was evaluated. Some of these molecules exhibited antibacterial activity against S. aureus comparable to the standards used (oxolinic acid and ampicillin. The preliminary structure-activity relationship (SAR study showed that the antibacterial activity against S. aureus depends on the position of the 3-arylcoumarin substitution pattern. With the aim of finding the structural features for the antibacterial activity and selectivity, in the present manuscript different positions of nitro, methyl, methoxy, amino and bromo substituents on the 3-arylcoumarin scaffold were reported.

Synthesis and Characterization of a Ru(II Complex with Functionalized Phenanthroline Ligands Having Single-Double Linked Anthracenyl and 1-Methoxy-1-buten-3-yne Moieties

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Adewale O. Adeloye

2010-10-01

Full Text Available Two series of bidentate polypyridine ligands, made of phenanthroline chelating subunits having substituted mono-and di-anthracenyl groups, and 1-methoxy-1-buten-3-yne at the 4 and 7-positions with the corresponding heteroleptic Ru(II complex have been synthesized and characterized. The complex is formulated as [(Ru(L1(L2(NCS2], (where L1 = 4-(9-dianthracenyl-10-(2,3-dimethylacrylic acid-7-(9-anthracenyl-10-(2,3-dimethylacrylic acid-1,10-phenanthroline and L2 = 4,7-bis(1-methoxy-1-buten-3-yne-1,10-phenanthroline. The Ru(II complex shows characteristic broad and intense metal-to-ligand charge transfer (MLCT bands absorption and appreciable photoluminescence spanning the visible region. The ligands and complex were characterized by FT-IR, 1H, 13C NMR spectroscopy, UV-Vis, photoluminescence and elemental analysis (see in supplementary materials. The anchoring groups in both ligands have allowed an extended delocalization of acceptor orbital of the metal-to-ligand charge-transfer (MLCT excited state.

Effect of symmetric substitution on the phenyl groups of Eu{sup 3+}-dibenzoyl methane complexes on their luminescence properties

Energy Technology Data Exchange (ETDEWEB)

Shukla, P. [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Sudarsan, V.; Vatsa, R.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Nayak, S.K. [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Chattopadhyay, S., E-mail: schatt@barc.gov.i [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

2010-10-15

Complexes of Eu{sup 3+} ion and ligands like dibenzoylmethane (DBM) as well as flouro- and methoxy-substituted DBMs have been prepared and characterized. Peak maxima and line shapes of the {pi}-{pi}{sup *} transitions arising from the ligands in these complexes were very sensitive to the nature of the substituents attached to the phenyl groups of DBM. Symmetric substitution at both the phenyl groups led to improved luminescence in terms of higher quantum yields of emission and longer lifetime of the excited state ({sup 5}D{sub 0}) of Eu{sup 3+} ions. Effective averaging/cancellation of the dipole-dipole interactions in symmetrically substituted ligands and the associated decrease in the extent of quenching were responsible for the improved luminescence from such complexes.

Antitumor and immunomodulatory effects of the naphthoquinone 5-methoxy-3,4-dehydroxanthomegnin

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Rodrigo Rezende Kitagawa

2011-12-01

Full Text Available Large number of quinones has been associated with antitumor, antibacterial, antimalarial and antifungal activities. In this work we describe the effect of the naphthoquinone, 5-methoxy-3,4-dehydroxanthomegnin, on murine tumor cells (LP07 and LM2 and its immunomodulatory effect on nitric oxide (NO production on LPS-stimulated macrophages. The results have shown that 5-methoxy-3,4-dehydroxanthomegnin was a significant inhibitor of LPS-stimulated NO generation from macrophage (inhibition percentage ranged from 97.4 to 98.9% and a strong cytotoxic agent against both tumor cells LP07 and LM2 (CI50 6.2±0.36 µM and 74.6±1.9 µM, respectively. These results indicate that the 5-methoxy-3,4-dehydroxanthomegnin may show promising activity in the treatment of murine breast and lung cancer by immunomodulatory and antiproliferative activities.

Antitumor and immunomodulatory effects of the naphthoquinone 5-methoxy-3,4-dehydroxanthomegnin

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Rodrigo Rezende Kitagawa

2011-08-01

Full Text Available Large number of quinones has been associated with antitumor, antibacterial, antimalarial and antifungal activities. In this work we describe the effect of the naphthoquinone, 5-methoxy-3,4-dehydroxanthomegnin, on murine tumor cells (LP07 and LM2 and its immunomodulatory effect on nitric oxide (NO production on LPS-stimulated macrophages. The results have shown that 5-methoxy-3,4-dehydroxanthomegnin was a significant inhibitor of LPS-stimulated NO generation from macrophage (inhibition percentage ranged from 97.4 to 98.9% and a strong cytotoxic agent against both tumor cells LP07 and LM2 (CI50 6.2±0.36 µM and 74.6±1.9 µM, respectively. These results indicate that the 5-methoxy-3,4-dehydroxanthomegnin may show promising activity in the treatment of murine breast and lung cancer by immunomodulatory and antiproliferative activities.

2-[(1-Benzamido-2-methoxy-2-oxoethylamino]benzoic Acid

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Alami Anouar

2013-01-01

Full Text Available The carboxylic α,α-diaminoester 2-[(1-benzamido-2-methoxy-2-oxoethyl amino]benzoic acid is obtained by N-alkylation of methyl α-azido glycinate N-benzoylated with 2-aminobenzoic acid.

Convenient method for the preparation of 1-acetoxy-1-methoxy-4-alkanones

International Nuclear Information System (INIS)

Kulinkovich, O.G.; Tishchenko, I.G.; Romashin, Yu.N.; Zaitsev, Yu.A.

1987-01-01

1-Acetoxy-1-methoxy-4-alkanones were obtained by the action of acetic acid on ethereal solutions of the corresponding alkyl trans-2-methoxycyclopropyl ketones. 1-Acetoxy-1-methoxy-4-decanone synthesized by this method was converted by the action of aqueous sodium hydroxide to 2-amyl-2-cyclopentenone in good yield. The PMR spectra of the compounds studied in CCl 4 were taken on a Tesla BS-467A spectrometer at 60 MHz with HMDS as the internal standard. The IR spectra were taken on a Specord 75-IR spectrophotometer

Differentiation of ring-substituted regioisomers of amphetamine and methamphetamine by supercritical fluid chromatography.

Science.gov (United States)

Segawa, Hiroki; T Iwata, Yuko; Yamamuro, Tadashi; Kuwayama, Kenji; Tsujikawa, Kenji; Kanamori, Tatsuyuki; Inoue, Hiroyuki

2017-03-01

Chromatographic differentiation of the ring-substituted regioisomers of amphetamine (AMP) and methamphetamine (MA) was performed by supercritical fluid chromatography (SFC). The behaviour of the retention against the changes of column temperature and co-solvent proportion was studied. The obtained information facilitated the optimization of the each regioisomer. As a result, 2-, 3-, and 4-ring-substituted analogues of AMP and MA with methyl, methoxy, fluoro, chloro, and bromo groups were separated, generally within 6 min. In addition, we found that the separation pattern of the examined regioisomers was classified into two, which depended on the electron donating/withdrawing effect of the substituent. Our results indicate that SFC could be used in forensic drug analysis for fast, reliable identification of structurally similar drugs of abuse. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

A combined experimental and theoretical study on vibrational and electronic properties of (5-methoxy-1H-indol-1-yl(5-methoxy-1H-indol-2-ylmethanone

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Al-Wabli Reem I.

2017-11-01

Full Text Available (5-Methoxy-1H-indol-1-yl(5-methoxy-1H-indol-2-ylmethanone (MIMIM is a bis-indolic derivative that can be used as a precursor to a variety of melatonin receptor ligands. In this work, the energetic and spectroscopic profiles of MIMIM were studied by a combined DFT and experimental approach. The IR, Raman, UV-Vis, 1H NMR and 13C NMR spectra were calculated by PBEPBE and B3LYP methods, and compared with experimental ones. Results showed good agreement between theoretical and experimental values. Mulliken population and natural bond orbital analysis were also performed by time-dependent DFT approach to evaluate the electronic properties of the title molecule.

Influence of methoxy- and nitro-substitutions in the aromatic ring on proton donation ability in hydrogen bond and on the amino group parameters of free and H-bonded molecules of 2-aminopyrimidine

Science.gov (United States)

Borisenko, V. E.; Krekov, S. A.; Fomenko, M. Yu.; Koll, A.; Lipkovski, P.

2008-06-01

Amino- and imino- forms of pyrimidine are widely presented as part of antibiotics, corrective medications for heart failures and metabolic stimulators. Hydrogen bonding is one of the fundamental interactions between biologically active molecules. This type of interactions provides flexibility, speed and variety of the biochemical processes. Proton donation properties of aminopyrimidines significantly depend on the position, number and kind of the substituent in its aromatic ring. In present work we studied the influence of the methoxy- and nitro-substitutions in the phenyl radical of pyridine and pyrimidine cycles on the proton donation ability of the amino group in hydrogen bonds as well as on its geometrical, force, electro-optical and thermodynamical characteristics in free and H-bonded (1:1 and 1:2, with various proton acceptors) molecules of primary aromatic amines. Acetonitrile, dioxane, tetrahydrofourane, dimethylformamide, dimethylsulfoxide and hexamethylphosphoramide (whose proton accepting properties vary within a wide range) were used as proton acceptors in our research. In the region of the amino group stretching and deformation vibrations the IR spectra of free and H-bonded (1:1) molecules of 2-amino-4,6-dimethoxy- and 2-amino-5-nitropyrimidine were studied in complexes with proton acceptors in CCl 4 within the temperature range 288-328 K. The spectra of 1:2 complexes were studied in undiluted aprotic solvents. The following spectral characteristics of absorption bands in amino group stretching vibrations were determined: M(0) (zero spectral moment, integrated intensity B); M(1) (first spectral moment, band "centre of gravity"); effective half width, related to the second central moment (Δ ν1/2) eff = 2( M(2)) 1/2, frequencies of the deformation vibrations δ(HNH) of free and H-bonded molecules. It was shown that changes of the absorption band spectral characteristics of the amino group stretching and deformation vibrations in the analyzed

Receptor binding profiles and behavioral pharmacology of ring-substituted N,N-diallyltryptamine analogs.

Science.gov (United States)

Klein, Landon M; Cozzi, Nicholas V; Daley, Paul F; Brandt, Simon D; Halberstadt, Adam L

2018-02-27

Substantial effort has been devoted toward understanding the psychopharmacological effects of tryptamine hallucinogens, which are thought to be mediated by activation of 5-HT 2A and 5-HT 1A receptors. Recently, several psychoactive tryptamines based on the N,N-diallyltryptamine (DALT) scaffold have been encountered as recreational drugs. Despite the apparent widespread use of DALT derivatives in humans, little is known about their pharmacological properties. We compared the binding affinities of DALT and its 2-phenyl-, 4-acetoxy-, 4-hydroxy-, 5-methoxy-, 5-methoxy-2-methyl-, 5-fluoro-, 5-fluoro-2-methyl-, 5-bromo-, and 7-ethyl-derivatives at 45 receptor and transporter binding sites. Additionally, studies in C57BL/6 J mice examined whether these substances induce the head twitch response (HTR), a 5-HT 2A receptor-mediated response that is widely used as a behavioral proxy for hallucinogen effects in humans. Most of the test drugs bound to serotonin receptors, σ sites, α 2 -adrenoceptors, dopaminergic D 3 receptors, histaminergic H 1 receptors, and the serotonin transporter. DALT and several of the ring-substituted derivatives were active in the HTR assay with the following rank order of potency: 4-acetoxy-DALT > 5-fluoro-DALT > 5-methoxy-DALT > 4-hydroxy-DALT > DALT > 5-bromo-DALT. 2-Phenyl-DALT, 5-methoxy-2-methyl-DALT, 5-fluoro-2-methyl-DALT, and 7-ethyl-DALT did not induce the HTR. HTR potency was not correlated with either 5-HT 1A or 5-HT 2A receptor binding affinity, but a multiple regression analysis indicated that 5-HT 2A and 5-HT 1A receptors make positive and negative contributions, respectively, to HTR potency (R 2  = 0.8729). In addition to supporting the established role of 5-HT 2A receptors in the HTR, these findings are consistent with evidence that 5-HT 1A activation by tryptamine hallucinogens buffers their effects on HTR. Published by Elsevier Ltd.

PLS-based quantitative structure-activity relationship for substituted benzamides of clebopride type. Application of experimental design in drug design.

Science.gov (United States)

Norinder, U; Högberg, T

1992-04-01

The advantageous approach of using an experimentally designed training set as the basis for establishing a quantitative structure-activity relationship with good predictive capability is described. The training set was selected from a fractional factorial design scheme based on a principal component description of physico-chemical parameters of aromatic substituents. The derived model successfully predicts the activities of additional substituted benzamides of 6-methoxy-N-(4-piperidyl)salicylamide type. The major influence on activity of the 3-substituent is demonstrated.

Oxidation of 4-methoxy-1-naphthol on promoted platinum catalysts

CSIR Research Space (South Africa)

Maphoru, MV

2017-07-01

Full Text Available , July 2017, Volume 58, Issue 4, pp 441–447 Oxidation of 4-methoxy-1-naphthol on promoted platinum catalysts M. V. Maphoru J. Heveling S. Kesavan Pillai Abstract Oxidative coupling of naphthols is a useful method for the formation of new...

Conformational control of cofactors in nature: The effect of methoxy group orientation on the electronic structure of ubisemiquinone

Science.gov (United States)

De Almeida, Wagner B.; O'Malley, Patrick J.

2018-03-01

Ubiquinone is the key electron and proton transfer agent in biology. Its mechanism involves the formation of its intermediate one-electron reduced form, the ubisemiquinone radical. This is formed in a protein-bound form which permits the semiquinone to vary its electronic and redox properties. This can be achieved by hydrogen bonding acceptance by one or both oxygen atoms or as we now propose by restricted orientations for the methoxy groups of the headgroup. We show how the orientation of the two methoxy groups of the quinone headgroup affects the electronic structure of the semiquinone form and demonstrate a large dependence of the ubisemiquinone spin density distribution on the orientation each methoxy group takes with respect to the headgroup ring plane. This is shown to significantly modify associated hyperfine couplings which in turn needs to be accounted for in interpreting experimental values in vivo. The study uncovers the key potential role the methoxy group orientation can play in controlling the electronic structure and spin density of ubisemiquinone and provides an electronic-level insight into the variation in electron affinity and redox potential of ubiquinone as a function of the methoxy orientation. Taken together with the already known influence of cofactor conformation on heme and chlorophyll electronic structure, it reveals a more widespread role for cofactor conformational control of electronic structure and associated electron transfer in biology.

Electron transfer rates and equilibria between substituted phenoxide ions and phenoxyl radicals

International Nuclear Information System (INIS)

Steenken, S.; Neta, P.

1979-01-01

The rate constants for electron transfer from a series of substituted isomeric dihydroxy- and diaminobenzenes to different substituted phenoxyl radicals were measured by observing the decay or buildup of one of the radicals invoved. In many cases the electron transfer reactions were reversible and the equilibrium constants could be calculated from the individual rate constants for attainment of equilibrium and from the concentrations of the species involved at equilibrium. From the equilibrium constants the one-electron redox potentials for 15 individual Q - ./Q 2- pairs were determined, using the value for hydroquinone (23 mV at pH 13.5) as a reference. The potential for catechol (43 mV) is near that of hydroquinone; resorcinol is oxidized much less readily (300 mV), while phenol is even a weaker reductant (>500mV). Methyl, methoxy, and hydroxy substituents decrease the redox potentials while acetyl and carboxyl substituents increase these values. Ascorbate has a potential (15mV) similar to that of hydroquinone, while TMPD (82mV) and p-phenylenediamine (183mV) are less easily oxidized

Characterization of substituted aryl meroterpenoids from red seaweed Hypnea musciformis as potential antioxidants.

Science.gov (United States)

Chakraborty, Kajal; Joseph, Deepu; Joy, Minju; Raola, Vamshi Krishna

2016-12-01

The ethyl acetate fraction of red seaweed Hypnea musciformis was purified to yield three substituted aryl meroterpenoids, namely, 2-(tetrahydro-5-(4-hydroxyphenyl)-4-pentylfuran-3-yl)-ethyl-4-hydroxybenzoate (1), 2-2-[(4-hydroxybenzoyl)-oxy]-ethyl-4-methoxy-4-2-[(4-methylpentyl)oxy]-3,4-dihydro-2H-6-pyranylbutanoic acid (2) and 3-((5-butyl-3-methyl-5,6-dihydro-2H-pyran-2-yl)-methyl)-4-methoxy-4-oxobutyl benzoate (3). The structures of these compounds, as well as their relative stereochemistries, were confirmed by exhaustive NMR spectroscopic data analyses. Compound 1 exhibited similar 2,2'-diphenylpicrylhydrazyl radical inhibiting and Fe(2+) ion chelating activities (IC50 25.05 and 350.7μM, respectively) as that of commercial antioxidant gallic acid (IC50 32.3 and 646.6μM, respectively), followed by 3 (IC50 231.2 and 667.9μM, respectively), and 2 (IC50 322.4 and 5115.3μM, respectively), in descending order of activities. Structure-activity relationship analysis revealed that the antioxidant activities of these compounds were directly proportional to the steric and hydrophobic parameters. The seaweed derived aryl meroterpenoids might serve as potential lead antioxidative molecules for use in pharmaceutical and food industries. Copyright © 2016 Elsevier Ltd. All rights reserved.

2-(4-Methoxy-1H-indol-3-ylacetonitrile

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Yong-Hong Lu

2012-01-01

Full Text Available In the title compound, C11H10N2O, the cyanide group is twisted away from the indole-ring plane [Ccy—Cme—Car—Car = 70.7 (2°; cy = cyanide, me = methylene, ar = aromatic], whereas the methoxy C atom is almost coplanar with the ring system [displacement = 0.014 (5 Å]. In the crystal, N—H...N hydrogen bonds link the molecules into C(7 chains propagating in [100].

4-Hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethylphenyl]-1,2-dihydroquinoline-3-carboxamide

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Emmanuel S. Akinboye

2014-03-01

Full Text Available The title compound, C20H17F3N2O4, named tasquinimod, is a second-generation oral quinoline-3-carboxamide analogue, which is currently in phase III clinical trials for the treatment of metastatic prostate cancer. The quinoline unit is almost planar (r.m.s. deviation of fitted atoms = 0.0075 Å. The carboxamide side chain, substituted at position 3, is tilted by 88.07 (7° to the quinoline plane. Both the methyl and carbonyl groups of this carboxamide side chain are in a syn conformation. The 4-(trifluoromethylphenyl plane is inclined at 50.62 (17° to the plane of the carboxamide side chain, and at 87.14 (4° to the plane of the quinoline ring system. The 4-hydroxy H atom acts as a double proton donor in an intramolecular hydrogen bond to the 5-position methoxy O atom and in an intermolecular contact to the 2-oxo group, generating a chain along [010] in the crystal structure.

Mass Spectrometry (LC-MS-MS) as a Tool in the Maillard Reaction Optimisation and Characterisation of New 6-methoxy-tetrahydro-β-carboline Derivatives

International Nuclear Information System (INIS)

Goh, T.B.; Mordi, M.N.; Mansor, S.M.

2015-01-01

Four new 6-methoxy-tetrahydro-β-carboline derivatives (1-6- methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole,2-6-methoxy-1- (4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 3-6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole and 4-2-methoxy-4-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl) phenol) were prepared via the Maillard reaction using 5-methoxytryptamine and various aldehydes in water. The synthesis reaction conditions were optimised in catalyst loading, temperature and time using LC-MS for optimum yields. Surface response methodology and contour plot was selected as an approach for optimisation. The optimum yield could be achieved below 50 degree Celsius within 5 h at 7 mole % catalyst loading at yields > 70 %. The β-carboline compounds produced were characterised using electrospray ionization mass spectrometry (ESI-MS) and electrospray tandem mass (ESI-MS/MS). The mass fragmentation patterns of this group of heterocyclic tetrahydro-β-carboline compounds are described herein. (author)

Synthesis and antibacterial activity of insignin and its 8-methoxy- and 6-demethoxy derivatives

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Aamer Saeed

2006-06-01

Full Text Available A short and efficient synthesis of insignin (8-hydroxy-6-methoxy-3-heptyl- isocoumarin (1, a metabolite of natural lichens, has been described. Reaction of 3,5-dimethoxyhomophthalic anhydride (2 with octanoyl chloride in the presence of 1,1,3,3-tetramethylguanidine (TMG and triethyl amine afforded the 6,8-dimethoxy-3-heptylisocoumarin (3 in high yield. Regioselective demethylation of the latter using anhydrous aluminum chloride furnished the 8-hydroxy-6-methoxy-3-heptylisocoumarin (1 whereas, the complete demethylation of (3 yielded 6,8-dihydroxy-3-heptylisocoumarin (4. The isocoumarins (1, 3, and 4 were examined in vitro for antibacterial activity and were shown to exhibit moderate activity.

Epitaxial Growth of a Methoxy-Functionalized Quaterphenylene on Alkali Halide Surfaces

DEFF Research Database (Denmark)

Balzer, Frank; Sun, Rong; Parisi, Jürgen

2015-01-01

The epitaxial growth of the methoxy functionalized para-quaterphenylene (MOP4) on the (001) faces of the alkali halides NaCl and KCl and on glass is investigated by a combination of lowenergy electron diffraction (LEED), polarized light microscopy (PLM), atomic force microscopy (AFM), and X...

Epitaxial growth of a methoxy-functionalized quaterphenylene on alkali halide surfaces

Energy Technology Data Exchange (ETDEWEB)

Balzer, F., E-mail: fbalzer@mci.sdu.dk [University of Southern Denmark, Mads Clausen Institute, Alsion 2, DK-6400 Sønderborg (Denmark); Sun, R. [University of Southern Denmark, Mads Clausen Institute, Alsion 2, DK-6400 Sønderborg (Denmark); Parisi, J. [University of Oldenburg, Energy and Semiconductor Research Laboratory, Institute of Physics, Carl-von-Ossietzky-Str. 9-11, D-26111 Oldenburg (Germany); Rubahn, H.-G. [University of Southern Denmark, Mads Clausen Institute, Alsion 2, DK-6400 Sønderborg (Denmark); Lützen, A. [University of Bonn, Kekulé Institute of Organic Chemistry and Biochemistry, Gerhard-Domagk-Str. 1, D-53121 Bonn (Germany); Schiek, M. [University of Oldenburg, Energy and Semiconductor Research Laboratory, Institute of Physics, Carl-von-Ossietzky-Str. 9-11, D-26111 Oldenburg (Germany)

2015-12-31

The epitaxial growth of the methoxy functionalized para-quaterphenylene (MOP4) on the (001) faces of the alkali halides NaCl and KCl and on glass is investigated by a combination of low energy electron diffraction (LEED), polarized light microscopy (PLM), atomic force microscopy (AFM), and X-ray diffraction (XRD). Both domains from upright molecules as well as fiber-like crystallites from lying molecules form. Neither a wetting layer from lying molecules nor widespread epitaxial fiber growth on the substrates is detected. Our results focus on the upright standing molecules, which condense into a thin film phase with an enlarged layer spacing compared to the bulk phase. - Highlights: • Growth of a methoxy-functionalized para-phenylene on dielectric surfaces is investigated. • Low-energy electron diffraction and X-ray diffraction techniques are employed for structural characterization. • Epitaxial growth of upright molecules only is documented. • Polarized optical microscopy together with atomic force microscopy complements the findings.

Epitaxial growth of a methoxy-functionalized quaterphenylene on alkali halide surfaces

International Nuclear Information System (INIS)

Balzer, F.; Sun, R.; Parisi, J.; Rubahn, H.-G.; Lützen, A.; Schiek, M.

2015-01-01

The epitaxial growth of the methoxy functionalized para-quaterphenylene (MOP4) on the (001) faces of the alkali halides NaCl and KCl and on glass is investigated by a combination of low energy electron diffraction (LEED), polarized light microscopy (PLM), atomic force microscopy (AFM), and X-ray diffraction (XRD). Both domains from upright molecules as well as fiber-like crystallites from lying molecules form. Neither a wetting layer from lying molecules nor widespread epitaxial fiber growth on the substrates is detected. Our results focus on the upright standing molecules, which condense into a thin film phase with an enlarged layer spacing compared to the bulk phase. - Highlights: • Growth of a methoxy-functionalized para-phenylene on dielectric surfaces is investigated. • Low-energy electron diffraction and X-ray diffraction techniques are employed for structural characterization. • Epitaxial growth of upright molecules only is documented. • Polarized optical microscopy together with atomic force microscopy complements the findings.

Conformational equilibrium and effects of some 2-mono substituted cyclohexanone substituents; Equilibrio conformacional e efeitos dos substituintes de algumas cicloexanonas 2-monossubstituidas

Energy Technology Data Exchange (ETDEWEB)

Basso, Ernani A [Universidade Estadual de Maringa, PR (Brazil); Trevisan, Paulo S [Universidade Estadual de Campinas, SP (Brazil). Inst. de Quimica; Lambert, Joseph B [Northwestern Univ. (United States)

1992-12-31

This work re-evaluates, using a high-field device (400 MHz) and the Eliel method, the 2-halo substituted cyclohexanone conformational equilibrium, which applies the chemical shift values ({delta}) and the {alpha} proton coupling constants (J). {sup 13} C NMR spectra were also obtained for investigation of the substituent effects on the cyclohexanone ring carbons chemical shift, since the few works treating the subject are at most incomplete. The results are compared with those obtained for the 2-methoxy cyclohexanone previously described, and reproduced in this work 12 refs., 4 figs., 3 tabs.

Proposal of 5-methoxy-N-methyl-N-isopropyltryptamine consumption biomarkers through identification of in vivo metabolites from mice.

Science.gov (United States)

Fabregat-Safont, D; Barneo-Muñoz, M; Martinez-Garcia, F; Sancho, J V; Hernández, F; Ibáñez, M

2017-07-28

New psychoactive substances (NPS) are a new breed of synthetically produced substances designed to mimic the effects of traditional illegal drugs. Synthetic cannabinoids and synthetic cathinones are the two most common groups, which try to mimic the effects of the natural compounds 9 Δ-tetrahydrocannabinol and cathinone, respectively. Similarly, synthetic tryptamines are designer compounds which are based on the compounds psilocin, N,N-dimethyltryptamine and 5-methoxy-N,N-dimethyltryptamine found in some mushrooms. One of the most important tryptamine compounds found in seizures is 5-methoxy-N,N-diisopropyltryptamine, which has been placed as controlled substance in USA and some European countries. The control of this compound has promoted the rising of another tryptamine, the 5-methoxy-N-methyl-N-isopropyltryptamine, which at the time of writing this article has not been banned yet. So, it is undeniable that this new substance should be monitored. 5-methoxy-N-methyl-N-isopropyltryptamine has been reported by the Spanish Early Warning System and detected in our laboratory in two pill samples purchased in a local smart shop. This has promoted the need of stablishing consumption markers for this compound in consumers' urine. In the present work, the metabolism and pharmacokinetic of 5-methoxy-N-methyl-N-isopropyltryptamine has been studied by an in vivo approach, using adult male mice of the inbred strain C57BLJ/6. The use of ultra-high performance liquid chromatography coupled to high resolution mass spectrometry allowed the identification of four metabolites. After the pharmacokinetic study in serum and urine, the O-demethylated metabolite and the non-metabolised parent compound are proposed as consumption markers in hydrolysed urine. Data reported in this work will help hospitals and forensic laboratories to monitor the consumption and potential intoxication cases related to this tryptamine. Copyright © 2017 Elsevier B.V. All rights reserved.

Simultaneous gauche and anomeric effects in α-substituted sulfoxides.

Science.gov (United States)

Freitas, Matheus P

2012-09-07

α-Substituted sulfoxides can experience both gauche and anomeric effects, since these compounds have the geometric requirements and strong electron donor and acceptor orbitals which are essential to make operative the hyperconjugative nature of these effects. Indeed, the title effects were calculated to take place for 1,3-oxathiane 3-oxide in polar solution, where dipolar effects are absent or at least minimized, while only the gauche effect is present in 2-fluorothiane 1-oxide. Since the fluorine atom is a suitable probe for structural analysis using NMR, the (1)J(CF) dependence on the rotation around the F-C-S═O dihedral angle of (fluoromethyl)methyl sulfoxide was evaluated; differently from 1,2-difluoroethane and fluoro(methoxy)methane, this coupling constant is at least not exclusively dependent on dipolar interactions (or on hyperconjugation). Because of the nonmonotonic behavior of the (1)J(CF) rotational profile, this coupling constant does not appear to be of significant diagnostic value for probing the conformations of α-fluoro sulfoxides.

Scope and limitations of the Heck-Matsuda-coupling of phenol diazonium salts and styrenes: a protecting-group economic synthesis of phenolic stilbenes.

Science.gov (United States)

Schmidt, Bernd; Elizarov, Nelli; Berger, René; Hölter, Frank

2013-06-14

4-Phenol diazonium salts undergo Pd-catalyzed Heck reactions with various styrenes to 4'-hydroxy stilbenes. In almost all cases higher yields and fewer side products were observed, compared to the analogous 4-methoxy benzene diazonium salts. In contrast, the reaction fails completely with 2- and 3-phenol diazonium salts. For these substitution patterns the methoxy-substituted derivatives are superior.

An Efficient Synthesis of New Pyrazolines and Isoxazolines Bearing Thiazolyl and Etheral Pharmacophores

Energy Technology Data Exchange (ETDEWEB)

Bhosle, Manisha R.; Mali, Jyotirling R.; Pratap, Umesh R.; Mane, Ramrao A. [Ambedkar Marathwada University, Aurangabad (India)

2012-06-15

A convenient synthetic route has been developed to synthesize 5-(4-((2-phenylthiazol-4-yl) methoxy)phenyl)- 3-(4-sustituted phenyl)pyrazolines (5a-f) and 5-(4-((2-phenylthiazol-4-yl)methoxy)phenyl)-3-(4-substituted phenyl)isoxazolines (6a-f) starting from 2-phenyl-4-chloromethylthiazole (1). The chloromethylthiazole (1) was first condensed with 4-hydroxy benzaldehyde (2) for obtaining 4-((2-phenylthiazol-4-yl)methoxy)benzaldehyde (3). Claisen-Smidth condensation of 4-((2-phenylthiazol-4-yl)methoxy)benzaldehyde (3) and acetophenones has been carried in alkaline alcohol and obtained 3-(4-((2-phenylthiazol-4-yl)methoxy)phenyl)-1-(4- substituted phenyl)prop-2-en-1-ones (4a-f). The cyclocondensation of 2-propen-1-ones has been first time carried separately with hydrazine hydrate and hydroxylamine hydrochloride in aqueous micellar tetradecyltrimethylammonium bromide (TTAB) medium for getting the titled heterocycles with good to excellent yields

Comparison of Inhibitory Activities of meta and para Substituted N-aryl 3-Hydroxypyridin-4-one Mannosides Towards Type 1 Fimbriated E. coli

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Vesna Petrović Peroković

2016-06-01

Full Text Available In uropathogenic Escherichia coli, mannose-specific adhesion is mediated by the FimH adhesin located at the tip of type 1 fimbriae. Novel mannosylated N-aryl substituted 3-hydroxypyridin-4ones with meta substituents on the aryl part of the molecule were prepared, and their inhibitory properties towards the adhesion of E. coli to guinea pig erythrocytes explored using the hemagglutination assay. These results were compared with inhibitory potencies of analogous para derivatives. The assays revealed greater preference of FimH towards para substituted compounds in general, with p-nitro and p-methoxy substituted substrates being much more effective then the hydrophobic p-methyl compound. When substituents are in meta position the positive affect on the binding of compounds in the FimH binding site was observed with all compounds tested but the structure with an alkyl group was shown to be the most effective one. This study provides guidelines for the rational design of novel, more effective series of FimH antagonists. This work is licensed under a Creative Commons Attribution 4.0 International License.

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

Science.gov (United States)

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Preparation and Biological Properties of Ring-Substituted Naphthalene-1-Carboxanilides

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Tomas Gonec

2014-07-01

Full Text Available In this study, a series of twenty-two ring-substituted naphthalene-1-carboxanilides were prepared and characterized. Primary in vitro screening of the synthesized carboxanilides was performed against Mycobacterium avium subsp. paratuberculosis. N-(2-Methoxyphenylnaphthalene-1-carboxamide, N-(3-methoxy-phenylnaphthalene-1-carboxamide, N-(3-methylphenylnaphthalene-1-carboxamide, N-(4-methylphenylnaphthalene-1-carboxamide and N-(3-fluorophenylnaphthalene-1-carboxamide showed against M. avium subsp. paratuberculosis two-fold higher activity than rifampicin and three-fold higher activity than ciprofloxacin. The most effective antimycobacterial compounds demonstrated insignificant toxicity against the human monocytic leukemia THP-1 cell line. The testing of biological activity of the compounds was completed with the study of photosynthetic electron transport (PET inhibition in isolated spinach (Spinacia oleracea L. chloroplasts. The PET-inhibiting activity expressed by IC50 value of the most active compound N-[4-(trifluoromethylphenyl]naphthalene-1-carboxamide was 59 μmol/L. The structure-activity relationships are discussed.

Pectin methyl esterase treatment on high-methoxy pectin for making fruit jam with reduced sugar content.

Science.gov (United States)

Wang, Yuh-Tai; Lien, Ling-Lan; Chang, Ya-Chu; Wu, James Swi-Bea

2013-01-01

Pectin methyl esterase (PME) has been postulated to catalyse the transacylation reaction between pectin molecules. The present study aimed to prove the occurrence of this reaction. The feasibility of applying PME-catalysed transacylation between high-methoxy pectin molecules in making fruit jam with reduced sugar content was also investigated. PME treatment increased the turbidity and particle size in pectin solution and the molecular weight of pectin, while it decreased the number of methoxy ester linkages and the intensity of the CH₃ absorption peak in the Fourier transform infrared spectrum without changes in the number of total ester linkages in pectin molecules. These findings support the occurrence of PME-catalysed transacylation between pectin molecules. Higher values of hardness, gumminess and chewiness were found in a jam containing PME-treated citrus pectin (10 g L⁻¹) and sugar (350 g L⁻¹) as compared with either a jam containing untreated citrus pectin (10 g L⁻¹) and sugar (350 g L⁻¹) or strawberry jam containing pectin (10 g L⁻¹) from the fruit and sugar (650 g L⁻¹). The demand for sugar in jam making can be greatly reduced by the use of PME-treated high-methoxy pectin. Copyright © 2012 Society of Chemical Industry.

Crystal structures of bis[(9S,13S,14S-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate

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Eric Gauchat

2017-01-01

Full Text Available (9S,13S,14S-3-Methoxy-17-methylmorphinan (dextromethorphan forms two isostructural salts with (a tetrachloridocobaltate, namely bis[(9S,13S,14S-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate, (C18H26NO2[CoCl4], and (b tetrachloridocuprate, namely bis[(9S,13S,14S-3-methoxy-17-methylmorphinanium] tetrachloridocuprate, (C18H26NO2[CuCl4]. The distorted tetrahedral anions are located on twofold rotational axes. The dextromethorphan cation can be described as being composed of two ring systems, a tetrahydronaphthalene system A+B and a decahydroisoquinolinium subunit C+D, that are nearly perpendicular to one another: the angle between mean planes of the A+B and C+D moieties is 78.8 (1° for (a and 79.0 (1° for (b. Two symmetry-related cations of protonated dextromethorphan are connected to the tetrachloridocobaltate (or tetrachloridocuprate anions via strong N—H...Cl hydrogen bonds, forming neutral ion associates. These associates are packed in the (001 plane with no strong attractive bonding between them. Both compounds are attractive crystalline forms for unambiguous identification of the dextromethorphan and, presumably, of its optical isomer, levomethorphan.

(2E-3-(3-Methoxy-1-phenyl-1H-pyrazol-4-yl-2-propenal

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Algirdas Šačkus

2009-12-01

Full Text Available The palladium-catalyzed reaction of 4-bromo-3-methoxy-1-phenyl-1H-pyrazole with acrolein diethyl acetal gives the title compound in good yield. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS are presented.

40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

Science.gov (United States)

2010-07-01

... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

Synthesis of (2-[{sup 11}C]Methoxy)rotenone, a marker of mitochondrial complex I activity

Energy Technology Data Exchange (ETDEWEB)

Charalambous, A; Mangner, T J; Kilbourn, M R

1995-01-01

Recent studies suggest that defects in the function of the complexes of the electron transport chain might be involved in the pathology of neurological diseases such as mitochondrial encephalopathies, Parkinson's Huntington's and Alzheimer's disease. Rotenone is a potent reversible competitive inhibitor of complex I (NADH-CoQ reductase). To study the possible involvement of complex I in such diseases, we synthesized (2-[{sup 11}C]methoxy)rotenone by [{sup 11}C]alkylation of 2-O-desmethyl rotenone methyl enol ether followed by hydrolysis of the enol ether to the ketone using aqueous trifluoroacetic acid. (2-[{sup 11}C]Methoxy)rotenone was purified by high pressure liquid chromatography (silica gel) and was obtained in 7-10% yields decay corrected to end of bombardment in synthesis times typically shorter than 48 min. Radiochemical purities were over 95% and specific activities averaged 1000 Ci/mmol at end of synthesis.

Anti-leishmanial and structure-activity relationship of ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl-2-propen-1-one derivatives

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Asunción Burguete

2008-12-01

Full Text Available A series of ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl-2-propen-1-one derivatives were synthesized and tested for in vitro leishmanicidal activity against amastigotes of Leishmania amazonensis in axenical cultures and murine infected macrophages. Structure-activity relationships demonstrated the importance of a radical methoxy at position R3', R4' and R5'. (2E-3-(3,4,5-trimethoxy-phenyl-1-(3,6,7-trimethyl-1,4-dioxy-quinoxalin-2-yl-propenone was the most active. Cytotoxicity on macrophages revealed that this product was almost six times more active than toxic.

Density-functional study of the methoxy intermediates at Cu(111), Cu(110) and Cu(001) surfaces

Czech Academy of Sciences Publication Activity Database

Pick, Štěpán

2010-01-01

Roč. 22, č. 39 (2010), s. 395002 ISSN 0953-8984 Institutional research plan: CEZ:AV0Z40400503 Keywords : Cu surfaces * methoxy group CH3O- * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.332, year: 2010

40 CFR 721.8145 - Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-. 721.8145 Section 721.8145 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... significant new uses are: (i) Industrial, commercial, and consumer activities. Requirements as specified § 721...

Can hydrogen bonds improve the hole-mobility in amorphous organic semiconductors? Experimental and theoretical insights

KAUST Repository

Mimaite, Viktorija; Grazulevicius, Juozas Vidas; Laurinaviciute, Rasa; Volyniuk, Dmytro; Jankauskas, Vygintas; Sini, Gjergji

2015-01-01

© The Royal Society of Chemistry 2015. Five hole-transporting triphenylamine derivatives containing methoxy and methyl groups are synthesized and investigated. The hole-mobility increases in the presence of methyl and methoxy substituents, exceeding 10-2 cm2 V-1 s-1 in the case of methyl groups. Quantum mechanical calculations on these compounds indicate very different dipole moments and intermolecular interaction strengths, with intriguing correlations with the trend in hole-mobility. Temperature dependent hole-mobility measurements indicate disorder dominated hole transport. The values of the energetic disorder parameter (σ) decrease upon methyl and methoxy substitutions despite the increase in dipole moments. This trend is discussed as a function of the interaction energy between adjacent molecules, the dipole moment, the molecular polarizability, and the conformational degree of freedom. Our results indicate that the global decrease of σ upon methyl and methoxy substitutions is dominated by the larger decrease in the geometrical randomness component of the energetic disorder. A direct correlation is established between the decrease in geometrical randomness and the increase in intermolecular interaction energies, mainly stemming from the additional C-H⋯π, O, N hydrogen bonds induced by methyl and methoxy groups.

Increased Water Solubility of the Curcumin Derivatives via Substitution with an Acetoxy Group at the Central Methylene Moiety

Energy Technology Data Exchange (ETDEWEB)

Kim, Mi Kyoung; Mok, Hyejung; Chong, Youhoon [Konkuk Univ., Seoul (Korea, Republic of)

2012-09-15

Curcumin (diferuloyl methane), a natural yellow pigment in the roots of turmeric, has been considered as one of the most promising chemopreventive agents against a variety of human cancers. Curcumin is known to exhibit its antiproliferative effect against various cancer cells through cell cycle arrest and induction of apoptosis. Although not as potent as many other cytotoxic agents, curcumin has been demonstrated to be safe in humans at relatively high doses (10 grams/day), making it an attractive target for chemotherapeutic drug discovery efforts. Two compounds with meta-methoxy substituents (2 and 3) maintained comparable antiproliferative activity with curcumin (1). In contrast, the acetoxy-curcuminoids (8-14) showed moderate to potent activity against all three cancer cell lines tested (Table 1). In particular, the colon cancer cell (HCT116) was most susceptible to the acetoxy-curcuminoids (8-12, Table 1) to show 2-2.5 times increase in EC{sub 50} values compared with that of curcumin (1, Table 1). In this series, like the simple curcuminoids (2-7), the aromatic meta-methoxy substituent turned out to be critical for the antiproliferative effect, and the corresponding acetoxy-curcuminoids 10 and 11 showed the most potent activity against HCT116 with EC{sub 50} values of 18.5 μM and 16.9 μM, respectively. Also noteworthy is the broad spectrum antiproliferative effect of the acetoxy-curcuminoid 11 with a free catechol moiety, which exhibited almost similar antiproliferative activity against all three cancer cell lines tested. Taken together, through evaluation of solubility as well as antiproliferative effect of the acetoxy-curcuminoids, we figured out that the acetoxy group substituted at the central methylene unit which served to enhance the solubility of the corresponding curcuminoids also played a key role in potentiating their antiproliferative effect. Thus, upon combination of the methylenyl acetoxy group and the aromatic meta-methoxy group on the curcumin

Increased Water Solubility of the Curcumin Derivatives via Substitution with an Acetoxy Group at the Central Methylene Moiety

International Nuclear Information System (INIS)

Kim, Mi Kyoung; Mok, Hyejung; Chong, Youhoon

2012-01-01

Curcumin (diferuloyl methane), a natural yellow pigment in the roots of turmeric, has been considered as one of the most promising chemopreventive agents against a variety of human cancers. Curcumin is known to exhibit its antiproliferative effect against various cancer cells through cell cycle arrest and induction of apoptosis. Although not as potent as many other cytotoxic agents, curcumin has been demonstrated to be safe in humans at relatively high doses (10 grams/day), making it an attractive target for chemotherapeutic drug discovery efforts. Two compounds with meta-methoxy substituents (2 and 3) maintained comparable antiproliferative activity with curcumin (1). In contrast, the acetoxy-curcuminoids (8-14) showed moderate to potent activity against all three cancer cell lines tested (Table 1). In particular, the colon cancer cell (HCT116) was most susceptible to the acetoxy-curcuminoids (8-12, Table 1) to show 2-2.5 times increase in EC 50 values compared with that of curcumin (1, Table 1). In this series, like the simple curcuminoids (2-7), the aromatic meta-methoxy substituent turned out to be critical for the antiproliferative effect, and the corresponding acetoxy-curcuminoids 10 and 11 showed the most potent activity against HCT116 with EC 50 values of 18.5 μM and 16.9 μM, respectively. Also noteworthy is the broad spectrum antiproliferative effect of the acetoxy-curcuminoid 11 with a free catechol moiety, which exhibited almost similar antiproliferative activity against all three cancer cell lines tested. Taken together, through evaluation of solubility as well as antiproliferative effect of the acetoxy-curcuminoids, we figured out that the acetoxy group substituted at the central methylene unit which served to enhance the solubility of the corresponding curcuminoids also played a key role in potentiating their antiproliferative effect. Thus, upon combination of the methylenyl acetoxy group and the aromatic meta-methoxy group on the curcumin framework

Alternative synthesis of 9-{3-[(diisopropoxyphosphoryl)-methoxy]-2-hydroxypropyl}adenine and its free phosphonates substituted at the C-8 position of purine base

Czech Academy of Sciences Publication Activity Database

Janeba, Zlatko; Masojídková, Milena; Holý, Antonín

2010-01-01

Roč. 75, č. 3 (2010), s. 371-381 ISSN 0010-0765 Institutional research plan: CEZ:AV0Z40550506 Keywords : acyclic nucleoside phosphonates * HPMPA * nucleophilic substitution * intramolecular cyclization Subject RIV: CC - Organic Chemistry Impact factor: 0.853, year: 2010

Inhibitors of inosine monophosphate dehydrogenase: SARs about the N-[3-Methoxy-4-(5-oxazolyl)phenyl moiety.

Science.gov (United States)

Iwanowicz, Edwin J; Watterson, Scott H; Guo, Junqing; Pitts, William J; Murali Dhar, T G; Shen, Zhongqi; Chen, Ping; Gu, Henry H; Fleener, Catherine A; Rouleau, Katherine A; Cheney, Daniel L; Townsend, Robert M; Hollenbaugh, Diane L

2003-06-16

The first reported structure-activity relationships (SARs) about the N-[3-methoxy-4-(5-oxazolyl)phenyl moiety for a series of recently disclosed inosine monophosphate dehydrogenase (IMPDH) inhibitors are described. The syntheses and in vitro inhibitory values for IMPDH II, and T-cell proliferation (for select analogues) are given.

Influence of ligand-bridged substitution on the exchange coupling constant of chromium-wheels host complexes: a density functional theory study

Science.gov (United States)

Sadeghi Googheri, Motahare; Abolhassani, Mohammad Reza; Mirzaei, Mahmoud

2018-05-01

Designing and introducing novel wheel-shaped supramolecular as host complexes with new magnetic properties is the theme of the day. So in this study, new eight binuclear chromium (III) complexes, as models of real chromium-wheel host complexes, were designed based on changing of bridged-ligands and exchange coupling constants (J) of them were calculated using the broken symmetry density functional theory approach. Substitution of fluorine ligand in fluoro-bridged model [Cr2F(tBuCO2)2(H2O)2(OH)4]-1 by halogen anions (Cl-, Br- and I- ) decreased the antiferromagnetic exchange coupling between Cr(III) centres such that by going from F- to I- the J values became more positive. In the case of hydroxo-bridged model [Cr2OH(tBuCO2)2(H2O)2(OH)4]-1, replacement of hydroxyl by methoxy anion (OMe-) strengthened the antiferromagnetic property of the complex but substitution by sulfanide (SH-) and amide (NH2-) anions weakened it and changed the nature of complexes to ferromagnetic. Because of their different magnetic properties, these new investigated complexes can be suggested as interesting synthetic targets. Also, the J value changes due to ligand substitution were evaluated and it was found that the Cr-X bond strength and partial charges of involved atoms were the most effective factors on it.

Production of Two Novel Methoxy-Isoflavones from Biotransformation of 8-Hydroxydaidzein by Recombinant Escherichia coli Expressing O-Methyltransferase SpOMT2884 from Streptomyces peucetius

Science.gov (United States)

Chiang, Chien-Min; Ding, Hsiou-Yu; Tsai, Ya-Ting; Chang, Te-Sheng

2015-01-01

Biotransformation of 8-hydroxydaidzein by recombinant Escherichia coli expressing O-methyltransferase (OMT) SpOMT2884 from Streptomyces peucetius was investigated. Two metabolites were isolated and identified as 7,4′-dihydroxy-8-methoxy-isoflavone (1) and 8,4′-dihydroxy-7-methoxy-isoflavone (2), based on mass, 1H-nuclear magnetic resonance (NMR) and 13C-NMR spectrophotometric analysis. The maximum production yields of compound (1) and (2) in a 5-L fermenter were 9.3 mg/L and 6.0 mg/L, respectively. The two methoxy-isoflavones showed dose-dependent inhibitory effects on melanogenesis in cultured B16 melanoma cells under non-toxic conditions. Among the effects, compound (1) decreased melanogenesis to 63.5% of the control at 25 μM. This is the first report on the 8-O-methylation activity of OMT toward isoflavones. In addition, the present study also first identified compound (1) with potent melanogenesis inhibitory activity. PMID:26610478

Supplementary vapor pressure data of the glycol ethers, 1-methoxy-2-propanol, and 2-methoxyethanol at a pressure range of (15 to 177) kPa

International Nuclear Information System (INIS)

Bejarano, Arturo; Poveda, Laura J.; Fuente, Juan C. de la

2012-01-01

Highlights: ► Vapor pressure of 2-methoxyethanol and 1-methoxy-2-propanol were measured. ► Complementary data are reported at ranges of (342 to 417) K and (15 to 177) kPa. ► Three commonly used vapor pressure equations were fitted to experimental data. ► The parameters of Antoine and Wagner type equations were estimated. ► The relative deviations (rmsd) from the three vapor pressure equations were <0.4%. - Abstract: The vapor pressure of pure 1-methoxy-2-propanol and 2-methoxyethanol, commonly used as co-solvents in inks, paints, coatings, organic/water solutions among many other applications, were measured with a dynamic recirculation apparatus at a pressure range of (15 to 177) kPa. The measurements were performed at temperature ranges of (342 to 412) K for 1-methoxy-2-propanol and (346 to 417) K for 2-methoxyethanol. The maximum likelihood method was used to estimate the parameters of the Antoine equation, the parameters of an extended Antoine equation and the Wagner equation were determined by non linear least squares method. The three models showed root mean square deviations (rmsd) of 0.39%, 0.38%, and 0.29%, and 0.37%, 0.33%, and 0.32%, for 1-methoxy-2-propanol and 2-methoxyethanol, respectively. Additionally, the experimental data and correlation were compared with those available in the literature.

Differential Induction of Cytoplasmic Vacuolization and Methuosis by Novel 2-Indolyl-Substituted Pyridinylpropenones.

Science.gov (United States)

Trabbic, Christopher J; Dietsch, Heather M; Alexander, Evan M; Nagy, Peter I; Robinson, Michael W; Overmeyer, Jean H; Maltese, William A; Erhardt, Paul W

2014-01-09

Because many cancers harbor mutations that confer resistance to apoptosis, there is a need for therapeutic agents that can trigger alternative forms of cell death. Methuosis is a novel form of non-apoptotic cell death characterized by accumulation of vacuoles derived from macropinosomes and endosomes. Previous studies identified an indole-based chalcone, 3-(5-methoxy-2-methylindol-3-yl)-1-(4-pyridinyl)-2-propen-1-one (MOMIPP), that induces methuosis in human cancer cells. Herein, we describe the synthesis of related 2-indolyl substituted pyridinylpropenones and their effects on U251 glioblastoma cells. Increasing the size of the 2-indolyl substituent substantially reduces growth inhibitory activity and cytotoxicity, but does not prevent cell vacuolization. Computational models suggest that the results are not due to steric-driven conformational effects. The unexpected uncoupling of vacuolization and cell death implies that the relationship between endosomal perturbations and methuotic cell death is more complex than previously realized. The new series of compounds will be useful in further defining the molecular and cellular mechanisms underlying methuosis.

Crystal structure of 1-methoxy-2,2,2-tris(pyrazol-1-ylethane

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Ganna Lyubartseva

2014-09-01

Full Text Available The title compound, C12H14N6O, consists of three pyrazole rings bound via nitrogen to the distal ethane carbon of methoxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14, 73.74 (14, and 78.92 (12°. In the crystal, molecules are linked by bifurcated C—H,H...N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C—H...O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5 inversion twin.

Effect of certain variables on the tumor and tissue distribution of tracers. Salicylates and vasoactive drugs

International Nuclear Information System (INIS)

Halpern, S.E.; Hagan, P.; Stern, P.; Gordon, R.; Dabbs, J.

1981-01-01

Attempts were made to increase the viable tumor concentration of 54Mn and 67Ga in a rat hepatoma model by administering rat angiotensin, tolazoline, and salicylates. Salicylates increased the tumor concentrations of 54Mn and improved 65Mn viable tumor/background ratios. 67Ga was not affected by the salicylates. The salicylate effect appeared to be mediated by intracellular mechanisms rather than alterations in plasma protein binding. Rat angiotensin slightly increased the concentrations of 67Ga in the tumors but not enough to suggest that it would be useful clinically. Tolazoline did not increase tumor uptake of the tracers

Effect of certain variables on the tumor and tissue distribution of tracers. III. Salicylates and vasoactive drugs

International Nuclear Information System (INIS)

Halpern, S.E.; Hagan, P.; Stern, P.; Gordon, R.; Dabbs, J.

1981-01-01

Attempts were made to increase the viable tumor concentration of 54 Mn and 67 Ga in a rat hepatoma model by administering rat angiotensin, tolazoline, and salicylates. Salicylates increased the tumor concentrations of 54 Mn and improved 65 Mn viable tumor/background ratios. 67 Ga was not affected by the salicylates. The salicylate effect appeared to be mediated by intracellular mechanisms rather than alterations in plasma protein binding. Rat angiotensin slightly increased the concentrations of 67 Ga in the tumors but not enough to suggest that it would be useful clinically. Tolazoline did not increase tumor uptake of the tracers

1-Methoxy-agroclavine from Penicillium sp. WC75209, a novel inhibitor of the Lck tyrosine kinase.

Science.gov (United States)

Padmanabha, R; Shu, Y Z; Cook, L S; Veitch, J A; Donovan, M; Lowe, S; Huang, S; Pirnik, D; Manly, S P

1998-03-17

A high-throughput screen was developed and implemented to identify inhibitors of the Lck tyrosine kinase. This report describes the identification of a specific inhibitor of this enzyme from the solid fermentation culture of the Penicillium sp., WC75209. The active compound was isolated and structurally characterized as 1-methoxy-5R, 10S-agroclavine, a new member of the ergot alkaloid family.

Spectroscopic investigations using density functional theory on 2-methoxy- 4(phenyliminomethyl)phenol: A non linear optical material

Science.gov (United States)

Hijas, K. M.; Madan Kumar, S.; Byrappa, K.; Geethakrishnan, T.; Jeyaram, S.; Nagalakshmi, R.

2018-03-01

Single crystals of 2-methoxy-4(phenyliminomethyl)phenol were grown from ethanol by slow evaporation solution growth technique. Single crystal X-ray diffraction experiment reveals the crystallization in orthorhombic system having non-centrosymmetric space group C2221. Geometrical optimization by density functional theory method was carried out using Gaussian program and compared with experimental results. Detailed experimental and theoretical vibrational analyses were carried out and the results were correlated to find close agreement. Thermal analyses show the material is thermally stable with a melting point of 159 °C. Natural bond orbital analysis was carried out to explain charge transfer interactions through hydrogen bonding. Relatively smaller HOMO-LUMO band gap favors the non linear optical activity of the molecule. Natural population analysis and molecular electrostatic potential calculations visualize the charge distribution in an isolated molecule. Calculated first-order molecular hyperpolarizability and preliminary second harmonic generation test carried out using Kurtz-Perry technique establish 2-methoxy-4(phenyliminomethyl)phenol crystal as a good non linear optical material. Z-scan proposes the material for reverse saturable absorption.

Polycyclic Aromatic Compounds as Anticancer Agents: Synthesis and Biological Evaluation of Methoxy Dibenzofluorene Derivatives

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Bimal Krishna Banik

2014-08-01

Full Text Available Synthesis of a new methoxy dibenzofluorene through alkylation, cyclodehydration and aromatization in a one-pot operation is achieved for the first time. Using this hydrocarbon, a few derivatives are prepared through aromatic nitration, catalytic hydrogenation, coupling reaction with a side chain and reduction. The benzylic position of this hydrocarbon with the side chain is oxidized and reduced. Some of these derivatives have demonstrated excellent antitumor activities in vitro. This study confirms antitumor activity depends on the structures of the molecules.

Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives.

Science.gov (United States)

Lin, C H; Haadsma-Svensson, S R; Lahti, R A; McCall, R B; Piercey, M F; Schreur, P J; Von Voigtlander, P F; Smith, M W; Chidester, C G

1993-04-16

The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiomers of the cis analogs were obtained from either fractional recrystallizations of the diastereomeric salts of di-p-toluoyl-L-(or D)-tartaric acid or an asymmetric synthesis using chiral (R)-alpha-methylbenzylamine. All analogs were evaluated in the in vitro 5-HT1A and D2 binding assays and selected analogs were investigated further in biochemical and behavioral tests. Analogs with 9-methoxy substitution (R1 in 3) showed mixed 5-HT1A agonist and dopamine antagonist activities whereas the corresponding 9-hydroxy analogs displayed selective 5-HT1A agonist activity. The cis analogs were found to be more potent than the corresponding trans analogs and in the cis series, the (3aR)-(-)-enantiomers displayed higher potency. Nitrogen substitution (R2 in 3) with either an n-propyl or an allyl group produced similar activities whereas replacement with a bulky alpha-methylbenzyl group resulted in loss of activity. Analogs without aromatic substitution (R1 = H in 3) still showed good 5-HT1A agonist activity, although less potent than the 9-methoxy series. In this case, the trans analogs possessed equal or higher in vitro 5-HT1A affinity than the corresponding cis analogs. Analogs with either 6-methoxy or 6-hydroxy substitution (R1 in 3) were found to display dopamine antagonist properties. However, only N-allyl analogs showed this activity. In the 6-methoxy-N-allyl series, the cis analog was found to be more potent than the trans analog. Again, between the pair of cis enantiomers, the (3aR)-(-)-enantiomer showed higher potency. Incorporation of an additional methyl group into 9-methoxy cis analogs at C-2 resulted in retention of potent 5-HT1A agonist activity.

Molecular complexes of L-phenylalanine with substituted 1,4-benzoquinones in aqueous medium: Spectral and theoretical investigations

Science.gov (United States)

Ganesh, K.; El-Mossalamy, E. H.; Satheshkumar, A.; Balraj, C.; Elango, K. P.

2013-12-01

Various spectral techniques such as UV-Vis, FT-IR, and fluorescence have been employed to investigate the charge transfer interaction of L-phenylalanine (LPA) with substituted 1,4-benzoquinones (MQ1-4). Kinetic and thermodynamic properties of the complexes were determined in aqueous medium at physiological condition (pH = 7). The interaction of MQ1-4 with L-phenylalanine (LPA) was found to proceed through the formation of donor-acceptor complex, yielding a radical anion. The stoichiometry of the complexes was determined by Jobs continuous variation method and was found to be 1:1 in all the cases. Fluorescence quenching studies showed that the interaction between the donor and the acceptors is spontaneous. The results indicated that the progressive replacement of chlorine atom (-I effect) by methoxy group (+M effect) in the quinone decreased the electron acceptor property of the quinone. The order of the experimentally measured association constant of these complexes was well supported by DFT/B3LYP calculations.

Hydrogen bonding in (substituted benzene)·(water)n clusters with n≤4

International Nuclear Information System (INIS)

Barth, H.-D.; Buchhold, K.; Djafari, S.; Reimann, B.; Lommatzsch, U.; Brutschy, B.

1998-01-01

Infrared ion-depletion spectroscopy, a double resonance method combining vibrational predissociation with resonant two-photon ionization (R2PI) spectroscopy, has been applied to study mixed clusters of the type (substituted benzene)·(H 2 O) n with n≤4. The UV chromophores were p-difluorobenzene, fluorobenzene, benzene, toluene, p-xylene and anisole. From the IR depletion spectra in the region of the OH stretching vibrations it could be shown that the water molecules are attached as subclusters to the chromophores. Size and configuration of the subclusters could be deduced from the IR depletion spectra. In the anisole·(H 2 O) 1 a nd 2 complexes the water clusters form an ordinary hydrogen bond to the oxygen atom of the methoxy group. In all other mixed complexes a π-hydrogen bond is formed between one of the free OH groups of a water subcluster and the π-system of the chromophore. According to the strength of this interaction the frequency of the respective absorption band exhibits a characteristic red-shift which could be related to the total atomic charges in the aromatic ring. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

Syntheses and biological activities of 13-substituted avermectin aglycons.

Science.gov (United States)

Mrozik, H; Linn, B O; Eskola, P; Lusi, A; Matzuk, A; Preiser, F A; Ostlind, D A; Schaeffer, J M; Fisher, M H

1989-02-01

The reactions of sulfonate esters of the allylic/homoallylic 13-alcohol of 5-O-(tert-butyldimethylsilyl)-22,23-dihydroavermectin B1a aglycon (1a) were investigated. Nucleophilic substitution gave 13 beta-chloro and 13 beta-iodo derivatives, while solvolytic reaction conditions yielded 13 alpha-methoxy, 13 alpha-fluoro, and 13 alpha-chloro products. A mixture of 13 alpha- and 13 beta-fluorides was obtained upon reaction with DAST. The 13 beta-iodide gave, upon elimination with lutidine, the 8(9),10(11),12(13),14(15)-tetraene. The 13 beta-alcohol and the rearranged 15-ol 13(14)-ene and 15-amino 13(14)-ene derivatives were obtained by substitution via the allylic carbonium ion. MEM ethers 11 and 12 of the two epimeric 13-ols were prepared by alkylation with MEM chloride. In contrast, methylation of 1a with MeI and Ag2O in CH2Cl2 occurred exclusively at the tertiary 7-hydroxy group and not at the secondary 13 alpha-ol. Oxidation of the allylic alcohol 1a proceeded under Swern conditions but not with MnO2 to the 13-oxo aglycon, which was reduced by NaBH4 exclusively to the natural 13 alpha-ol, while reductive amination with NaCNBH3-NH4OAc gave the 13 alpha-amine. The methoxime derivative was obtained in the form of the two geometric isomers. Anthelmintic activities against the sheep nematode Trichostrongylus colubriformis, miticidal activities against the two-spotted spider mite (Tetranychus urticae), and insecticidal activities against the southern armyworm (Spodoptera eridania) as well as the binding constants to a free living nematode (Caenorhabditis elegans) derived receptor assay were obtained and compared to avermectin B1a, 22,23-dihydroavermectin B1a, and the 13-deoxy-22,23-dihydroavermectin B1 aglycon related to the milbemycins. None of the newly prepared derivatives exceeded the potency of the three reference compounds. Lipophilic 13-substituents such as halogen, alkoxy, and methoxime retained high biological activities in all assays, while the more polar

Tuning cofactor redox potentials: the 2-methoxy dihedral angle generates a redox potential difference of >160 mV between the primary (Q(A)) and secondary (Q(B)) quinones of the bacterial photosynthetic reaction center.

Science.gov (United States)

Taguchi, Alexander T; Mattis, Aidas J; O'Malley, Patrick J; Dikanov, Sergei A; Wraight, Colin A

2013-10-15

Only quinones with a 2-methoxy group can act simultaneously as the primary (QA) and secondary (QB) electron acceptors in photosynthetic reaction centers from Rhodobacter sphaeroides. (13)C hyperfine sublevel correlation measurements of the 2-methoxy in the semiquinone states, SQA and SQB, were compared with quantum mechanics calculations of the (13)C couplings as a function of the dihedral angle. X-ray structures support dihedral angle assignments corresponding to a redox potential gap (ΔEm) between QA and QB of ~180 mV. This is consistent with the failure of a ubiquinone analogue lacking the 2-methoxy to function as QB in mutant reaction centers with a ΔEm of ≈160-195 mV.

AN ESTER OF 4-METHOXY CYNNAMIC ACID ISOLATED FROM Xylocarpus moluccencis (Lamk M. Roem (MELIACEAE

Directory of Open Access Journals (Sweden)

Tukiran Tukiran

2012-06-01

Full Text Available An ester derivative of 4-methoxycynnamic acid, i.e. 2-ethylhexyl 4-methoxy cynnamate was isolated for the first time from the chloroform extract of stem bark of Xylocarpus moluccencis (Lamk M. Roem (Meliaceae along with β-sitosterol and stigmasterol. The first structure was elucidated with the help of various spectroscopic techniques, including IR, GC-MS, and NMR spectra. Two last structures were determined by comparison with the reported compounds in literature. These compounds were also found in the hexane extract of the plant.

Effects of three antagonists on selected pharmacodynamic effects of sublingually administered detomidine in the horse.

Science.gov (United States)

Knych, Heather K; Stanley, Scott D

2014-01-01

To describe the effects of alpha2 -adrenergic receptor antagonists on the pharmacodynamics of sublingual (SL) detomidine in the horse. Randomized crossover design. Nine healthy adult horses with an average age of 7.6 ± 6.5 years. Four treatment groups were studied: 1) 0.04 mg kg(-1) detomidine SL; 2) 0.04 mg kg(-1) detomidine SL followed 1 hour later by 0.075 mg kg(-1) yohimbine intravenously (IV); 3) 0.04 mg kg(-1) detomidine SL followed 1 hour later by 4 mg kg(-1) tolazoline IV; and 4) 0.04 mg kg(-1) detomidine SL followed 1 hour later by 0.12 mg kg(-1) atipamezole IV. Each horse received all treatments with a minimum of 1 week between treatments. Blood samples were obtained and plasma analyzed for yohimbine, atipamezole and tolazoline concentrations by liquid chromatography-mass spectrometry. Behavioral effects, heart rate and rhythm, glucose, packed cell volume (PCV) and plasma proteins were monitored. Chin-to-ground distance increased following administration of the antagonists, however, this effect was transient, with a return to pre-reversal values as early as 1 hour. Detomidine induced bradycardia and increased incidence of atrioventricular blocks were either transiently or incompletely antagonized by all antagonists. PCV and glucose concentrations increased with tolazoline administration, and atipamezole subjectively increased urination frequency but not volume. At the doses administered in this study, the alpha2 -adrenergic antagonistic effects of tolazoline, yohimbine and atipamezole on cardiac and behavioral effects elicited by SL administration of detomidine are transient and incomplete. © 2013 Association of Veterinary Anaesthetists and the American College of Veterinary Anesthesia and Analgesia.

Chemical and enzymatic stability of amino acid prodrugs containing methoxy, ethoxy and propylene glycol linkers.

Science.gov (United States)

Gupta, Deepak; Gupta, Sheeba Varghese; Lee, Kyung-Dall; Amidon, Gordon L

2009-01-01

We evaluated the chemical and enzymatic stabilities of prodrugs containing methoxy, ethoxy and propylene glycol linkers in order to find a suitable linker for prodrugs of carboxylic acids with amino acids. l-Valine and l-phenylalanine prodrugs of model compounds (benzoic acid and phenyl acetic acid) containing methoxy, ethoxy and propylene glycol linkers were synthesized. The hydrolysis rate profile of each compound was studied at physiologically relevant pHs (1.2, 4, 6 and 7.4). Enzymatic hydrolysis of propylene glycol containing compounds was studied using Caco-2 homogenate as well as purified enzyme valacyclovirase. It was observed that the stability of the prodrugs increases with the linker length (propyl > ethyl > methyl). The model prodrugs were stable at acidic pH as compared to basic pH. It was observed that the prodrug with the aliphatic amino acid promoiety was more stable compared to its aromatic counterpart. The comparison between benzyl and the phenyl model compounds revealed that the amino acid side chain is significant in determining the stability of the prodrug whereas the benzyl or phenyl carboxylic acid had little or no effect on the stability. The enzymatic activation studies of propylene glycol linker prodrug in the presence of valacyclovirase and cell homogenate showed faster generation of the parent drug at pH 7.4. The half-life of prodrugs at pH 7.4 was more than 12 h, whereas in the presence of cell homogenate the half-lives were less than 1 h. Hydrolysis by Caco-2 homogenate generated the parent compound in two steps, where the prodrug was first converted to the intermediate, propylene glycol benzoate, which was then converted to the parent compound (benzoic acid). Enzymatic hydrolysis of propylene glycol containing prodrugs by valacyclovirase showed hydrolysis of the amino acid ester part to generate the propylene glycol ester of model compound (propylene glycol benzoate) as the major product. The amino acid prodrugs containing methoxy

Crystal structure of 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane.

Science.gov (United States)

Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D; Mallik, Uma Prasad

2014-09-01

The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C-H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin.

SYNTHESIS OF 2-METHOXY-4,6-DI(PROP-1-ENYLPHENOL FROM EUGENOL AND ITS ACTIVITY AS AN ANTIOXIDANT

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Hernawan Hernawan

2012-06-01

Full Text Available Synthesis and antioxidant activity of 2-methoxy-4,6-di(prop-1-enyl phenol from eugenol have been investigated. Synthesis was conducted through three stages of reaction. The first step was CTAB micellar catalytic O-allylation reaction at room temperature, to give 4-allyl-1-(allyloxy-2-methoxybenzene (2. Compound (2 was subsequently heated for Claisen rearrangement and produced 2,4-diallyl-6- methoxyphenol (3. The final steps was isomerization of compound (3 in alkaline conditions in ethylene glycol, to yield 2-methoxy-4,6-di(prop-1-enyl phenol (4. Antioxidant activity test was conducted by TBARS and DPPH methods. TBARS test showed that the compound (4 at a concentration of 50 μM could inhibit the oxidation of linoleic acid shown by the increasing of time lag phase (96 ± 2.94 min, reducing the rate of propagation (± 54.54% and reducing of malonal dialdehyde (MDA formation (68.04 ± 0.84%. The DPPH test revealed that compound (4 indicated DPPH free radical scavenging activity with IC50 107.66 μM and comparable with IC50 for BHT 107.37 μM.

Simple, heart-smart substitutions

Science.gov (United States)

Coronary artery disease - heart smart substitutions; Atherosclerosis - heart smart substitutions; Cholesterol - heart smart substitutions; Coronary heart disease - heart smart substitutions; Healthy diet - heart ...

Inhibition of glycolipid biosynthesis by N-(5-adamantane-1-yl-methoxy-pentyl)-deoxynojirimycin protects against the inflammatory response in hapten-induced colitis

NARCIS (Netherlands)

Shen, Chong; Bullens, Dominique; Kasran, Ahmad; Maerten, Philippe; Boon, Louis; Aerts, Johannes M. F. G.; van Assche, Gert; Geboes, Karel; Rutgeerts, Paul; Ceuppens, Jan L.

2004-01-01

Since glycolipid biosynthesis is potentially involved in immunological and inflammatory responses, we tested the effect of a novel inhibitor of intracellular glycolipid biosynthesis N-(5-adamantane-1-yl-methoxy-pentyl)-deoxynojirimycin (AMP-DNM) in two hapten-induced colitis models: trinitrobenzene

Synthesis of Cycloveratrylene Macrocycles and Benzyl Oligomers Catalysed by Bentonite under Microwave/Infrared and Solvent-Free Conditions

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Manuel Salmón

2013-10-01

Full Text Available Tonsil Actisil FF, which is a commercial bentonitic clay, promotes the formation of cycloveratrylene macrocycles and benzyl oligomers from the corresponding benzyl alcohols in good yields under microwave heating and infrared irradiation in the absence of solvent in both cases. The catalytic reaction is sensitive to the type of substituent on the aromatic ring. Thus, when benzyl alcohol was substituted with a methylenedioxy, two methoxy or three methoxy groups, a cyclooligomerisation process was induced. Unsubstituted, methyl and methoxy benzyl alcohols yielded linear oligomers. In addition, computational chemistry calculations were performed to establish a validated mechanistic pathway to explain the growth of the obtained linear oligomers.

Evaluation of a novel high-throughput assay for cytochrome P450 2D6 using 7-methoxy-4-(aminomethyl)-coumarin

NARCIS (Netherlands)

Venhorst, J.; Onderwater, R C; Meerman, J H; Vermeulen, N P; Commandeur, J N

2000-01-01

We recently reported on the design, synthesis and characterisation of a novel and selective substrate of human cytochrome P450 2D6 (CYP2D6), 7-methoxy-4-(aminomethyl)-coumarin (MAMC). Here, we describe a high-throughput microplate reader assay, which makes use of MAMC as a fluorescent probe for

Evaluation of a novel high-throughput assay for Cytochrome P450 2D6 using 7-Methoxy-4-(Aminomethyl)-Coumarin.

NARCIS (Netherlands)

Venhorst, J.; Onderwater, R.C.A.; Meerman, J.H.N.; Commandeur, J.N.M.; Vermeulen, N.P.E.

2000-01-01

We recently reported on the design, synthesis and characterisation of a novel and selective substrate of human cytochrome P450 2D6 (CYP2D6), 7-methoxy-4-(aminomethyl)-coumarin (MAMC). Here, we describe a high-throughput microplate reader assay, which makes use of MAMC as a fluorescent probe for

Molecular signatures based on 2-methoxy phenylpiperazine for neuroreceptor imaging using multimodality approach

International Nuclear Information System (INIS)

Hazari, Puja P.; Singh, N.; Raunak; Uppal, J.K.; Chuttani, K.; Mathur, R.; Soni, S.; Mishra, A.K.

2010-01-01

Full text: 5-HT1A, the best-characterized subtype of currently known 5-HT receptors, is tightly implicated in the pathogenesis of depression, anxiety, epilepsy and eating disorders. Specific radioligands and positron emission tomography (PET) allow for a quantitative imaging of brain 5-HT1A receptor distribution in living animals and humans. Potent and selective ligands for 5-HT1A receptors labeled with 18 F and 11 C with high specific activity aids the progress of understanding the pharmacological function of the patient's brain. It is not only desirable to find new compound based on 2-methoxyphenyl piperazine (MPP) selective to 5-HT1A receptors for possible pharmacological activity; such ligands are desired as they may be labeled with different PET/SPECT radioisotopes. We have envisaged to associate 2-methoxyphenyl piperazine with p-nitrophenyl derivative which was then subjected to 18 F-fluorination reaction (An efficient one-step approach to label MPP with 18 F for PET Imaging). We have developed short-lived 11 C (t1/2=20 min) labeled methoxy phenylpiperazine based derivative, (N-methyl- 11 C)bis(2-(4-(2-methoxy-phenyl)-piperazin-1-yl)ethyl)-amine ((N-methyl- 11 C)bis-MPP) with high specific activity for PET. The synthesis, characterization and biological evaluation of conjugate the 1-(2-methoxyphenylpiperazine) moiety complexed with paramagnetic metal ion, a fragment of the true 5-HT1A antagonist was carried out and characterized by spectroscopic methods for MRI. Initial studies with primary cultures of rat hippocampal cell lines indicated that the novel derivatives of MPP are highly selective for the serotonin (5-HT1A) receptor. It has significantly higher uptake in the hippocampal region of the brain, where 5-HT1A receptor density is high

Internal Dosimetry and the pharmacokinetic of the Cuban Kit of Methoxy-Isobutyl-Isonitrile (MIBI) marked with 99mTc

International Nuclear Information System (INIS)

Torres, L.A.; Pereztol, O.; Rodriguez, J.L.; Alvarez, I.; Fraxedas, R.; Mesa, G.; Rodriguez, R.

1998-01-01

The objective of the present work consisted on evaluating the Internal Dosimetry and the pharmacokinetic of the Cuban Kit of Methoxy-Isobutyl-Isonitrile (MIBI) marked with 99mTc. In the dosimetry studies and biodistribution five healthy volunteers were included and in the pharmacokinetic studies five patients were included with less than 5% of probability of suffering illness of artery coronary

99mTc-methoxy-isobutyl-isonitrile (sestamibi) imaging of malignant canine lymphoma

International Nuclear Information System (INIS)

Steyn, P.F.; Ogilvie, G.

1995-01-01

Technetium-99m methoxy-isobutyl-isonitrile (sestamibi) imaging of malignant canine lymphoma was performed in thirteen dogs 1 hour after intravenous injection of 99mTc-sestamibi at 13 MBq (0.35 mCi) per kilogram body weight. Abnormal tracer uptake was visualized in the liver, spleen, bone marrow, and mesenteric, inguinal, popliteal, sternal, cranial cervical and mandibular lymph nodes. Radiopharmaceutical uptake was also noted in a nasal mass. One large neoplastic renal mass did not have demonstrable sestamibi uptake. Other regions had no significant difference in the target:background ratios when compared with values from normal dogs (P > 0.05). 99mTc-sestamibi can be used to image malignant lymphoma, and has potential applications in the management of patients to document response to treatment and to stage of extent of disease

Hybridization Properties of RNA Containing 8-Methoxyguanosine and 8-Benzyloxyguanosine.

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Daniel Sylwester Baranowski

Full Text Available Modified nucleobase analogues can serve as powerful tools for changing physicochemical and biological properties of DNA or RNA. Guanosine derivatives containing bulky substituents at 8 position are known to adopt syn conformation of N-glycoside bond. On the contrary, in RNA the anti conformation is predominant in Watson-Crick base pairing. In this paper two 8-substituted guanosine derivatives, 8-methoxyguanosine and 8-benzyloxyguanosine, were synthesized and incorporated into oligoribonucleotides to investigate their influence on the thermodynamic stability of RNA duplexes. The methoxy and benzyloxy substituents are electron-donating groups, decreasing the rate of depurination in the monomers, as confirmed by N-glycoside bond stability assessments. Thermodynamic stability studies indicated that substitution of guanosine by 8-methoxy- or 8-benzyloxyguanosine significantly decreased the thermodynamic stability of RNA duplexes. Moreover, the presence of 8-substituted guanosine derivatives decreased mismatch discrimination. Circular dichroism spectra of modified RNA duplexes exhibited patterns typical for A-RNA geometry.

Accessing simply-substituted 4-hydroxytetrahydroisoquinolines via Pomeranz–Fritsch–Bobbitt reaction with non-activated and moderately-activated systems

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Marco Mottinelli

2017-09-01

Full Text Available Background: 1,2,3,4-Tetrahydroisoquinolines (THIQs are common motifs in alkaloids and in medicinal chemistry. Synthetic access to THIQs via the Pomeranz–Fritsch–Bobbit (PFB methodology using mineral acids for deactivated, electron-poor aromatic systems, is scarcely represented in the literature. Here, the factors controlling the regiochemical outcome of cyclization are evaluated.Results: A double reductive alkylation was telescoped into a one-pot reaction delivering good to excellent yields of desired aminoacetals for cyclization. Cyclization of activated systems proceeded smoothly under standard PFB conditions, but for non-activated systems the use of HClO4 alone was effective. When cyclization was possible in both para- and ortho-positions to the substituent, 7-substituted derivatives were formed with significant amounts of 5-substituted byproduct. The formation of the 4-hydroxy-THIQs vs the 4-methoxy-THIQ products could be controlled through modification of the reaction concentration. In addition, while a highly-activated system exclusively cyclized to the indole, this seems generally highly disfavored. When competition between 6- and 7-ring formation was investigated in non-activated systems, 5,7,8,13-tetrahydro-6,13-methanodibenzo[c,f]azonine was exclusively obtained. Furthermore, selective ring closure in the para-position could be achieved under standard PFB conditions, while a double ring closure could be obtained utilizing HClO4.Conclusion: Reactivity differences in aminoacetal precursors can be employed to control cyclization using the PFB methodology. It is now possible to select confidently the right conditions for the synthesis of N-aryl-4-hydroxy-1,2,3,4-tetrahydroisoquinolines.

Accessing simply-substituted 4-hydroxytetrahydroisoquinolines via Pomeranz–Fritsch–Bobbitt reaction with non-activated and moderately-activated systems

Science.gov (United States)

Mottinelli, Marco; Leese, Mathew P

2017-01-01

Background: 1,2,3,4-Tetrahydroisoquinolines (THIQs) are common motifs in alkaloids and in medicinal chemistry. Synthetic access to THIQs via the Pomeranz–Fritsch–Bobbit (PFB) methodology using mineral acids for deactivated, electron-poor aromatic systems, is scarcely represented in the literature. Here, the factors controlling the regiochemical outcome of cyclization are evaluated. Results: A double reductive alkylation was telescoped into a one-pot reaction delivering good to excellent yields of desired aminoacetals for cyclization. Cyclization of activated systems proceeded smoothly under standard PFB conditions, but for non-activated systems the use of HClO4 alone was effective. When cyclization was possible in both para- and ortho-positions to the substituent, 7-substituted derivatives were formed with significant amounts of 5-substituted byproduct. The formation of the 4-hydroxy-THIQs vs the 4-methoxy-THIQ products could be controlled through modification of the reaction concentration. In addition, while a highly-activated system exclusively cyclized to the indole, this seems generally highly disfavored. When competition between 6- and 7-ring formation was investigated in non-activated systems, 5,7,8,13-tetrahydro-6,13-methanodibenzo[c,f]azonine was exclusively obtained. Furthermore, selective ring closure in the para-position could be achieved under standard PFB conditions, while a double ring closure could be obtained utilizing HClO4. Conclusion: Reactivity differences in aminoacetal precursors can be employed to control cyclization using the PFB methodology. It is now possible to select confidently the right conditions for the synthesis of N-aryl-4-hydroxy-1,2,3,4-tetrahydroisoquinolines. PMID:29062406

Accessing simply-substituted 4-hydroxytetrahydroisoquinolines via Pomeranz-Fritsch-Bobbitt reaction with non-activated and moderately-activated systems.

Science.gov (United States)

Mottinelli, Marco; Leese, Mathew P; Potter, Barry V L

2017-01-01

Background: 1,2,3,4-Tetrahydroisoquinolines (THIQs) are common motifs in alkaloids and in medicinal chemistry. Synthetic access to THIQs via the Pomeranz-Fritsch-Bobbit (PFB) methodology using mineral acids for deactivated, electron-poor aromatic systems, is scarcely represented in the literature. Here, the factors controlling the regiochemical outcome of cyclization are evaluated. Results: A double reductive alkylation was telescoped into a one-pot reaction delivering good to excellent yields of desired aminoacetals for cyclization. Cyclization of activated systems proceeded smoothly under standard PFB conditions, but for non-activated systems the use of HClO 4 alone was effective. When cyclization was possible in both para - and ortho -positions to the substituent, 7-substituted derivatives were formed with significant amounts of 5-substituted byproduct. The formation of the 4-hydroxy-THIQs vs the 4-methoxy-THIQ products could be controlled through modification of the reaction concentration. In addition, while a highly-activated system exclusively cyclized to the indole, this seems generally highly disfavored. When competition between 6- and 7-ring formation was investigated in non-activated systems, 5,7,8,13-tetrahydro-6,13-methanodibenzo[ c , f ]azonine was exclusively obtained. Furthermore, selective ring closure in the para- position could be achieved under standard PFB conditions, while a double ring closure could be obtained utilizing HClO 4 . Conclusion: Reactivity differences in aminoacetal precursors can be employed to control cyclization using the PFB methodology. It is now possible to select confidently the right conditions for the synthesis of N- aryl-4-hydroxy-1,2,3,4-tetrahydroisoquinolines.

Preparation of 14c- amd 180-labeled 2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-c]-pyridine hydrochloride (LY175326), a cardiotonic with inotropic and vasodilator activities

International Nuclear Information System (INIS)

Kau, Don; Krushinski, J.H.; Robertson, D.W.

1985-01-01

Two different forms of 14 C-labeled 2-methoxy-4-(methyl-thio)benzoic acid were prepared and employed in the synthesis of 14 C-labeled 2-:2-methoxy-4-(methylsulfinyl)phenyl:-1H-imidazo-[4,5-c]pyridine hydrochloride (LY175326), a cardiotonic with inotropic and vasodilator activities that is currently in clinical trials. The synthetic procedures described in this report allowed the introduction of the 14 C-label in the antepenultimate step. Additionally, an 18 0-labeled form of LY175326 was synthesized to facilitate kinetic analysis of the formation of its sulfide and sulfone metabolites. (author)

40 CFR 721.2577 - Copper complex of (substituted sulfonaphthyl azo substituted phenyl) disulfonaphthyl azo, amine...

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Copper complex of (substituted... Copper complex of (substituted sulfonaphthyl azo substituted phenyl) disulfonaphthyl azo, amine salt... substances identified generically as copper complex of (substituted sulfonaphthyl azo substituted phenyl...

Aqueous-phase photochemical oxidation and direct photolysis of vanillin - a model compound of methoxy phenols from biomass burning

Science.gov (United States)

Li, Y. J.; Huang, D. D.; Cheung, H. Y.; Lee, A. K. Y.; Chan, C. K.

2014-03-01

We present here experimental results on aqueous-phase (A) photochemical oxidation (with UV and OH radicals generated from H2O2 photolysis) and (B) direct photolysis (with only UV irradiation) of a methoxy phenol, vanillin (VL), as a model compound from biomass burning. Both on-line aerosol mass spectrometric (AMS) characterization and off-line chemical analyses were performed. AMS analyses of dried atomized droplets of the bulk reacting mixtures showed that VL almost entirely evaporates during the drying process. Large amounts of organic mass remained in the particle phase after reactions under both conditions. Under condition (A), AMS measured organic mass first increased rapidly and then decreased, attributable to the formation of non-volatile products and subsequent formation of smaller and volatile products, respectively. The oxygen-to-carbon (O : C) ratio of the products reached 1.5 after about 80 min, but dropped substantially thereafter. In contrast, organic mass increased slowly under condition (B). The O : C ratio reached 1.0 after 180 min. In off-line analyses, small oxygenates were detected under condition (A), while hydroxylated products and dimers of VL were detected under condition (B). Particle hygroscopic growth factor (GF) and cloud condensation nuclei (CCN) activity of the reacting mixtures were found to depend on both organic volume fraction and the degree of oxygenation of organics. Results show that (1) aqueous-phase processes can lead to the retention of a large portion of the organic mass in the particle phase; (2) once retained, this portion of organic mass significantly changes the hygroscopicity and CCN activity of the aerosol particles; (3) intensive photochemical oxidation gave rise to an O : C ratio as high as 1.5 but the ratio decreased as further oxidation led to smaller and more volatile products; and (4) polymerization occurred with direct photolysis, resulting in high-molecular-weight products of a yellowish color. This study

Aqueous-phase photochemical oxidation and direct photolysis of vanillin - a model compound of methoxy-phenols from biomass burning

Science.gov (United States)

Li, Y. J.; Huang, D. D.; Cheung, H. Y.; Lee, A. K. Y.; Chan, C. K.

2013-10-01

We present here experimental results on aqueous-phase (A) photochemical oxidation (with UV and OH radicals generated from H2O2 photolysis) and (B) direct photolysis (with only UV irradiation) of a methoxy-phenol, vanillin (VL), as a model compound from biomass burning. Both on-line aerosol mass spectrometric (AMS) characterization and off-line chemical analyses were performed. AMS analyses of dried atomized droplets of the bulk reacting mixtures showed that VL almost entirely evaporates during the drying process. Large amounts of organic mass remained in the particle phase after reactions under both conditions. Under condition (A), AMS measured organic mass first increased rapidly and then decreased, attributable to the formation of non-volatile products and subsequent formation of smaller and volatile products, respectively. The oxygen-to-carbon (O:C) ratio of the products reached 1.5 after about 80 min, but dropped substantially thereafter. In contrast, organic mass increased slowly under condition (B). The O:C ratio reached 1.0 after 180 min. In off-line analyses, small oxygenates were detected under condition (A), while hydroxylated products and dimers of VL were detected under condition (B). Particle hygroscopic growth factor (GF) and cloud condensation nuclei (CCN) activity of the reacting mixtures were found to be dependent on both organic volume fraction and the degree of oxygenation of organics. Results show that (1) aqueous-phase processes can lead to the retention of a large portion of the organic mass in the particle phase; (2) once retained, this portion of organic mass significantly changes the hygroscopicity and CCN activity of the aerosol particles; (3) intensive photochemical oxidation gave rise to an O:C ratio as high as 1.5 but the ratio decreased as further oxidation led to smaller and more volatile products; and (4) polymerization occurred with direct photolysis, resulting in high-molecular-weight products of a yellowish color. This study

Induced Production of 1-Methoxy-indol-3-ylmethyl Glucosinolate by Jasmonic Acid and Methyl Jasmonate in Sprouts and Leaves of Pak Choi (Brassica rapa ssp. chinensis

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Hansruedi Glatt

2013-07-01

Full Text Available Pak choi plants (Brassica rapa ssp. chinensis were treated with different signaling molecules methyl jasmonate, jasmonic acid, linolenic acid, and methyl salicylate and were analyzed for specific changes in their glucosinolate profile. Glucosinolate levels were quantified using HPLC-DAD-UV, with focus on induction of indole glucosinolates and special emphasis on 1-methoxy-indol-3-ylmethyl glucosinolate. Furthermore, the effects of the different signaling molecules on indole glucosinolate accumulation were analyzed on the level of gene expression using semi-quantitative realtime RT-PCR of selected genes. The treatments with signaling molecules were performed on sprouts and mature leaves to determine ontogenetic differences in glucosinolate accumulation and related gene expression. The highest increase of indole glucosinolate levels, with considerable enhancement of the 1-methoxy-indol-3-ylmethyl glucosinolate content, was achieved with treatments of sprouts and mature leaves with methyl jasmonate and jasmonic acid. This increase was accompanied by increased expression of genes putatively involved in the indole glucosinolate biosynthetic pathway. The high levels of indole glucosinolates enabled the plant to preferentially produce the respective breakdown products after tissue damage. Thus, pak choi plants treated with methyl jasmonate or jasmonic acid, are a valuable tool to analyze the specific protection functions of 1-methoxy-indole-3-carbinole in the plants defense strategy in the future.

Novel cytokinin derivatives do not show negative effects on root growth and proliferation in submicromolar range.

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Kateřina Podlešáková

Full Text Available BACKGROUND: When applied to a nutrition solution or agar media, the non-substituted aromatic cytokinins caused thickening and shortening of the primary root, had an inhibitory effect on lateral root branching, and even showed some negative effects on development of the aerial part at as low as a 10 nanomolar concentration. Novel analogues of aromatic cytokinins ranking among topolins substituted on N9-atom of adenine by tetrahydropyranyl or 4-chlorobutyl group have been prepared and tested in standardized cytokinin bioassays [1]. Those showing comparable activities with N(6-benzylaminopurine were further tested in planta. METHODOLOGY/PRINCIPAL FINDINGS: The main aim of the study was to explain molecular mechanism of function of novel cytokinin derivatives on plant development. Precise quantification of cytokinin content and profiling of genes involved in cytokinin metabolism and perception in treated plants revealed several aspects of different action of m-methoxytopolin base and its substituted derivative on plant development. In contrast to standard cytokinins, N9- tetrahydropyranyl derivative of m-topolin and its methoxy-counterpart showed the negative effects on root development only at three orders of magnitude higher concentrations. Moreover, the methoxy-derivative demonstrates a positive effect on lateral root branching and leaf emerging in a nanomolar range of concentrations, in comparison with untreated plants. CONCLUSIONS/SIGNIFICANCE: Tetrahydropyranyl substitution at N9-position of cytokinin purine ring significantly enhances acropetal transport of a given cytokinins. Together with the methoxy-substitution, impedes accumulation of non-active cytokinin glucoside forms in roots, allows gradual release of the active base, and has a significant effect on the distribution and amount of endogenous isoprenoid cytokinins in different plant tissues. The utilization of novel aromatic cytokinin derivatives can distinctively improve expected

Synthesis, characterization, computational studies and biological evaluation of S-benzyl-β-N-[3-(4-hydroxy-3-methoxy-phenylallylidene)]dithiocarbazate

Science.gov (United States)

Bhat, Rayees A.; Kumar, D.; Malla, Manzoor A.; Bhat, Sami U.; Khan, Md Shahzad; Manzoor, Ovais; Srivastava, Anurag; Naikoo, Rawoof A.; Mohsin, Mohd; Mir, Muzzaffar A.

2018-03-01

S-Benzyl-β-N-[3-(4-hydroxy-3-methoxy-phenylallylidene)]dithiocarbazate (HL1), Schiff base of S-benzyl dithiocarbazate, was synthesized by 1:1 condensation between S-benzyl dithiocarbazate and 4-hydroxy-3-methoxy cinnamaldehyde. The nitrogen-sulfur Schiff base (HL1) was characterized by Mass, FT-IR, H1-NMR, Raman, and UV-VIS spectroscopic techniques. Theoretical quantum chemical calculations were performed using DFT in combination with B3LYP exchange correlation functional and 6-311++ G (d, p) basis sets level. The calculated values of chemical potential (μ), HOMO-LUMO energy gap, chemical hardness, softness (S), ionization energy (IE), electron affinity (EA), dipole moment (D) and relative stabilization energy of the compound were 0.14881 eV, 0.12542 eV, 0.06271 eV, 3.37299 eV, -0.21152 eV, -0.08610 eV, 4.4090 Debye and -1753.350 eV respectively. Theoretically calculated parameters like H1-NMR, FT-IR, UV-VIS, Raman, electrostatic potential and HOMO-LUMO energy gap are in good agreement with experimental results. Also, in-vitro cytotoxicity studies were done against two habitually infection causing bacteria strains including gram-positive (S. aureus) and gram-negative (E. coli) for antibacterial activity. The results showed appreciable biological activity and the activity increased with increase in dose.

Synthesis and evaluation of 6-[11C]Methoxy-3-[2- [1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzisoxazole as an in vivo radioligand for acetylcholinesterase

International Nuclear Information System (INIS)

Brown-Proctor, Clive; Snyder, Scott E.; Sherman, Phillip S.; Kilbourn, Michael R.

1999-01-01

6-Methoxy-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzisoxazole is a high affinity (K i =8.2 nM) reversible inhibitor of acetylcholinesterase (AChE). The carbon-11 labeled form was prepared in high (>97%) radiochemical purity and with specific activities of 37 ± 20 GBq/μmol at end of synthesis, by the alkylation of the desmethyl precursor with [ 11 C]methyl trifluoromethanesulfonate in N,N-dimethylformamide at room temperature. In vivo studies in mice demonstrated good blood brain permeability but essentially uniform regional brain distribution. Thus, despite in vitro and in vivo activity as an AChE inhibitor, 6-[ 11 C]methoxy-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1, 2-benzisoxazole does not appear to be a good candidate for in vivo imaging studies of AChE in the mammalian brain

An efficient synthesis and biological study of substituted 8-chloro-5 ...

Indian Academy of Sciences (India)

peroxide in glacial acetic acid, 4H-1,4-benzothiazine-1,1-dioxides (sulphones) were synthesized. ... methanol. 2.2a 8-Chloro-2-trifluoroacetyl-3-trifluoromethyl-5- methoxy-4H-1 .... filtered and washed with water and recrystallized from ethanol.

The Z-isomer of 11 beta-methoxy-17 alpha-[123I]iodovinylestradiol is a promising radioligand for estrogen receptor imaging in human breast cancer

NARCIS (Netherlands)

Rijks, L. J.; Boer, G. J.; Endert, E.; de Bruin, K.; Janssen, A. G.; van Royen, E. A.

1997-01-01

The potential of both stereoisomers of 11 beta-methoxy-17 alpha-[123I] iodovinylestradiol (E- and Z-[123I]MIVE) as suitable radioligands for imaging of estrogen receptor (ER)-positive human breast tumours was studied. The 17 alpha-[123I]iodovinylestradiol derivatives were prepared stereospecifically

Synthesis of PEG-Iodine-Capped Gold Nanoparticles and Their Contrast Enhancement in In Vitro and In Vivo for X-Ray/CT

International Nuclear Information System (INIS)

Sun-Hee, K.; Eun-Mi, K.; Chang-Moon, L.; Dong, W.K.; Seok, T.L.; Myung-Hee, S.; Hwan-Jeong, J.

2012-01-01

We designed gold nanoparticles (AuNPs) capped with iodine and polyethylene glycol (PEG) to provide effective enhancement for X-ray CT imaging. The methoxy PEG-iodine-capped AuNPs were prepared through the chemisorption of iodine and substitution of methoxy PEG-SH onto the surface of gold nanoparticles, and severe aggregation in TEM was not observed. The binding energies of Au 4f 7/2 and I 3d 5/2 of the methoxy PEG-iodine-capped AuNPs were obtained as 84.1 eV and 619.3 eV, respectively. The binding energy shift of methoxy PEG-iodine-capped AuNPs would be resulted from the chemisorption between gold nanoparticles and iodine atoms. The methoxy PEG-iodine-capped AuNPs have higher enhancement compared to PEG-capped gold nanoparticles in the same amount of gold in vitro. After postinjection of methoxy PEG-iodine-capped AuNPs into the mice, dramatic contrast enhancement at the heart, aorta, liver, and kidney was observed, this was maintained up to 5 days, and there was no evidence of apparent toxicity. In conclusion, methoxy PEG-iodine-capped AuNPs might be a good candidate as a CT contrast agent for blood pool imaging, and this will also contribute to the prolongation of a blood circulation time for X-ray CT imaging.

Fate of the organophosphorus insecticide methoxy-14 C-Azinphos-methyl in baladi egyptian goats

International Nuclear Information System (INIS)

Hamdy, N.A.; Fakhr, I.M.I.; Abdalla, E.A.M.; Fouzy, A.S.M.; Hassan, M.N.A.

1998-01-01

Consecutive feeding of lactating goats with methoxy- 14 C-azinphos-methyl fo 4 days at dietary levels of 25 mg and 50 mg/goat per day resulted in the presence 0 the insecticide residues in milk 0.028ppm, 0.068ppm respectively at the end of the administration period. The residue levels were marckedly reduced after a withdrawa period of one week and completely disappeared after two weeks. Analysis of milk an urine residues showed similar metabolites in addition to a very small amount of the parent compound in the milk only. The major part of the residues consisted of mon demethylatedl azinophos-methyl, dimethyl phosphorohthioic, dimethyl phosphoro dithioic acids, dimethyl and mono-methyl phosphates. The animals remaine symptoms-frce during the experimental period

Functional electrolyte for lithium-ion batteries

Science.gov (United States)

Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil

2015-04-14

Functional electrolyte solvents include compounds having at least one aromatic ring with 2, 3, 4 or 5 substituents, at least one of which is a substituted or unsubstituted methoxy group, at least one of which is a tert-butyl group and at least one of which is a substituted or unsubstituted polyether or poly(ethylene oxide) (PEO) group bonded through oxygen to the aromatic ring, are provided.

Synthesis and evaluation of 6-[{sup 11}C]Methoxy-3-[2- [1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzisoxazole as an in vivo radioligand for acetylcholinesterase

Energy Technology Data Exchange (ETDEWEB)

Brown-Proctor, Clive; Snyder, Scott E.; Sherman, Phillip S.; Kilbourn, Michael R. E-mail: mkilbour@umich.edu

1999-01-01

6-Methoxy-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzisoxazole is a high affinity (K{sub i}=8.2 nM) reversible inhibitor of acetylcholinesterase (AChE). The carbon-11 labeled form was prepared in high (>97%) radiochemical purity and with specific activities of 37 {+-} 20 GBq/{mu}mol at end of synthesis, by the alkylation of the desmethyl precursor with [{sup 11}C]methyl trifluoromethanesulfonate in N,N-dimethylformamide at room temperature. In vivo studies in mice demonstrated good blood brain permeability but essentially uniform regional brain distribution. Thus, despite in vitro and in vivo activity as an AChE inhibitor, 6-[{sup 11}C]methoxy-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1, 2-benzisoxazole does not appear to be a good candidate for in vivo imaging studies of AChE in the mammalian brain.

Synthesis of 2-iodo- and 2-phenyl-[11C]melatonin: potential PET tracers for melatonin binding sites

International Nuclear Information System (INIS)

Chen Jiajun; Fiehn-Schulze, Brita; Firnau, Guenter; Brough, Paul A.; Snieckus, Victor

1998-01-01

Two 11 C-labelled melatonin derivatives, 2-iodo-[ 11 C]melatonin (2-iodo-5-methoxy-N[ 11 C-acetyl]-tryptamine, an agonist) and 2-phenyl-[ 11 C]melatonin (2-phenyl-5-methoxy-N[ 11 C-acetyl]tryptamine, a putative antagonist) were synthesized from [ 11 C]carbon dioxide. The reaction sequence was common to both compounds and consisted of three steps: (i) carbonylation of methyl magnesium bromide with [ 11 C]carbon dioxide, (ii) conversion of the adduct to [ 11 C]acetyl chloride, (iii) acetylation of the amine precursors (2-iodo-5-methoxy-tryptamine or 2-phenyl-5-methoxy-tryptamine) with [ 11 C]acetyl chloride. The precursors were especially prepared. The radiochemical yield was 19% for 2-iodomelatonin and 32% for 2-phenymelatonin, based on [ 11 C]carbon dioxide; the specific activity ranged from 300 to 600 mCi/μmol. Both labelled 2-substituted-melatonins are intended to be used as radiotracers to study melatonin binding sites in man with positron emission tomography

[The substitution effect of leadership substitutes for transformational leadership in nursing organization].

Science.gov (United States)

Kim, Jeong-Hee

2006-04-01

This paper was conducted to examine the effects of transformational leadership behaviors, within the substitutes for leadership model (Kerr & Jermier, 1978). Data was collected from 181 staff nurses in 3 general hospitals, with self-reporting questionnaires (MLQ developed by Bass, rd-SLS developed by Podsakoff, et al., and MSQ developed by Weiss, et al.). Descriptive statistics, factor analysis, Cronbach's alpha and moderated regression analysis were used. 1) The transformational leader behaviors and substitutes for leadership each had correlations with job satisfaction. 2) The total amount of variance accounted for by the substitutes for leadership was substantially greater than by the transformational leadership behaviors. 3) Few of the substitutes variables moderated the relationships between the transformational leader behaviors and job satisfaction in a manner consistent with that specified by Howell, Dorfman, and Kerr (1986). The finding of this study suggest that leaders need to have a better understanding of those contextual variables that influence job satisfaction. Thus future research should focus attention on the moderating effects of substitutes, as well as the things that leaders can do to influence them. In addition, it may be good to examine the effects of substitutes on other criterion variables.

Crystal structure of 1-methoxy-5-methyl-N-phenyl-1,2,3-triazole-4-carboxamide

Directory of Open Access Journals (Sweden)

Inna S. Khazhieva

2015-10-01

Full Text Available The title compound, C11H12N4O2,was prepared via the transformation of sodium 4-acetyl-1-phenyl-1H-[1.2.3]triazolate under the action of methoxyamine hydrochloride. The dihedral angle between the triazole and phenyl rings is 25.12 (16° and the C atom of the methoxy group deviates from the triazole plane by 0.894 (4Å. The conformation of the CONHR-group is consolodated by an intramolecular N—H...N hydrogen bond to an N-atom of the triazole ring, which closes an S(5 ring. In the crystal, weak N—H...N hydrogen bonds link the molecules into C(6 [010] chains.

Ultrasound Promoted Synthesis of Bis(substituted pyrazol-4-ylcarbonyl-Substituted Thioureas

Directory of Open Access Journals (Sweden)

Li Xiao

2009-03-01

Full Text Available A series of novel bis(substituted pyrazol-4-ylcarbonyl-substituted thioureas have been synthesized by the reactions of substituted pyrazol-4-ylcarbonyl isothiocyanates with different diamines under ultrasound irradiation and classical heating method at 20-25 °C. In general, substantial improvement in rates and modest yields increases were observed when reactions were carried out under sonication, compared with the classical heating method. The structures of these compounds have been elucidated by elemental and spectral (IR, 1H-NMR analysis.

Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate

Directory of Open Access Journals (Sweden)

Badiadka Narayana

2012-08-01

Full Text Available The crystal and molecular structures of the title compounds, ethyl 4-(4-hydroxyphenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate (I and ethyl 4-(3-bromophenyl-6-(6-methoxy-2-naphthyl-2-oxocyclohex-3-ene-1-carboxylate (II, are reported and confirmed by single crystal X-ray diffraction data. Compound (I, C26H24O5, crystallizes from a methanol solution in the monoclinic C2/c space group with eight molecules in the unit cell. The unit cell parameters are: a = 25.4114(5 Å, b = 8.47440(10 Å, c = 20.6921(4 Å, β = 108.328(2° and V = 4229.92(13 Å3. Disorder is observed throughout the entire molecule with an occupancy ratio 0.690(2:0.310(2. Compound (II, C26H23O4Br, crystallizes from an ethyl acetate solution in the monoclinic P21/c spacegroup with four molecules in the unit cell. The unit cell parameters are a = 17.8991(9 Å, b = 11.4369(6 Å, c = 10.8507(5 Å, β = 92.428(4° and V = 2219.25(19 Å3. Disorder is observed in the cyclohexenone ring and the carboxylate group with an occupancy ratio 0.830(6:0.170(6. Weak O–H...O (I or C–H...O (II intermolecular interactions are observed which influence crystal packing stability. These chalcone derivative types of molecules are important in their ability to act as activated unsaturated systems in conjugated addition reactions of carbanions in the presence of basic catalysts which exhibit a multitude of biological activities.

Enrichment and molecular characterization of a bacterial culture that degrades methoxy-methyl urea herbicides and their aniline derivatives.

Science.gov (United States)

El-Fantroussi, S; Verstraete, W; Top, E M

2000-12-01

Soil treated with linuron for more than 10 years showed high biodegradation activity towards methoxy-methyl urea herbicides. Untreated control soil samples taken from the same location did not express any linuron degradation activity, even after 40 days of incubation. Hence, the occurrence in the field of a microbiota having the capacity to degrade a specific herbicide was related to the long-term treatment of the soil. The enrichment culture isolated from treated soil showed specific degradation activity towards methoxy-methyl urea herbicides, such as linuron and metobromuron, while dimethyl urea herbicides, such as diuron, chlorotoluron, and isoproturon, were not transformed. The putative metabolic intermediates of linuron and metobromuron, the aniline derivatives 3, 4-dichloroaniline and 4-bromoaniline, were also degraded. The temperature of incubation drastically affected degradation of the aniline derivatives. Whereas linuron was transformed at 28 and 37 degrees C, 3,4-dichloroaniline was transformed only at 28 degrees C. Monitoring the enrichment process by reverse transcription-PCR and denaturing gradient gel electrophoresis (DGGE) showed that a mixture of bacterial species under adequate physiological conditions was required to completely transform linuron. This research indicates that for biodegradation of linuron, several years of adaptation have led to selection of a bacterial consortium capable of completely transforming linuron. Moreover, several of the putative species appear to be difficult to culture since they were detectable by DGGE but were not culturable on agar plates.

Photoinduced reorientation and polarization holography in a new photopolymer with 4-methoxy-N-benzylideneaniline side groups

Directory of Open Access Journals (Sweden)

Nobuhiro Kawatsuki

2013-08-01

Full Text Available The photoinduced reorientation and surface relief (SR formation behaviors of a novel photosensitive polymer, which was transparent in visible region, were investigated using linearly polarized-313-nm light and holographic exposure with a 325-nm He-Cd laser. The polymer was comprised of photosensitive 4-methoxy-N-benzylideneaniline side groups, and exhibited a sufficient photoinduced molecular reorientation with a birefringence of 0.11. Holographic exposure generated a SR structure, which had a periodical molecular reorientation that depended on the polarization of the interference beams. The generated SR height was ∼212 nm, and the inscription of a double holographic exposure yielded a two-dimensional SR structure.

Substitution determination of Fmoc‐substituted resins at different wavelengths

Science.gov (United States)

Kley, Markus; Bächle, Dirk; Loidl, Günther; Meier, Thomas; Samson, Daniel

2017-01-01

In solid‐phase peptide synthesis, the nominal batch size is calculated using the starting resin substitution and the mass of the starting resin. The starting resin substitution constitutes the basis for the calculation of a whole set of important process parameters, such as the number of amino acid derivative equivalents. For Fmoc‐substituted resins, substitution determination is often performed by suspending the Fmoc‐protected starting resin in 20% (v/v) piperidine in DMF to generate the dibenzofulvene–piperidine adduct that is quantified by ultraviolet–visible spectroscopy. The spectrometric measurement is performed at the maximum absorption wavelength of the dibenzofulvene–piperidine adduct, that is, at 301.0 nm. The recorded absorption value, the resin weight and the volume are entered into an equation derived from Lambert–Beer's law, together with the substance‐specific molar absorption coefficient at 301.0 nm, in order to calculate the nominal substitution. To our knowledge, molar absorption coefficients between 7100 l mol−1 cm−1 and 8100 l mol−1 cm−1 have been reported for the dibenzofulvene–piperidine adduct at 301.0 nm. Depending on the applied value, the nominal batch size may differ up to 14%. In this publication, a determination of the molar absorption coefficients at 301.0 and 289.8 nm is reported. Furthermore, proof is given that by measuring the absorption at 289.8 nm the impact of wavelength accuracy is reduced. © 2017 The Authors Journal of Peptide Science published by European Peptide Society and John Wiley & Sons Ltd. PMID:28635051

A novel approach for a C-11C bond formation: synthesis of 17α-([11C]prop-1-ynyl)-3-methoxy-3,17β-estradiol

International Nuclear Information System (INIS)

Wuest, F.; Zessin, J.

2002-01-01

A novel method for a 11 C-C bond formation was developed, employing a cross-coupling reaction between a terminal acetylene and [ 11 C]methyl iodide. The method was used for the synthesis of 17α-([ 11 C]prop-1-ynyl)-3-methoxy-3,17β-estadiol. (orig.)

Substitution determination of Fmoc-substituted resins at different wavelengths.

Science.gov (United States)

Eissler, Stefan; Kley, Markus; Bächle, Dirk; Loidl, Günther; Meier, Thomas; Samson, Daniel

2017-10-01

In solid-phase peptide synthesis, the nominal batch size is calculated using the starting resin substitution and the mass of the starting resin. The starting resin substitution constitutes the basis for the calculation of a whole set of important process parameters, such as the number of amino acid derivative equivalents. For Fmoc-substituted resins, substitution determination is often performed by suspending the Fmoc-protected starting resin in 20% (v/v) piperidine in DMF to generate the dibenzofulvene-piperidine adduct that is quantified by ultraviolet-visible spectroscopy. The spectrometric measurement is performed at the maximum absorption wavelength of the dibenzofulvene-piperidine adduct, that is, at 301.0 nm. The recorded absorption value, the resin weight and the volume are entered into an equation derived from Lambert-Beer's law, together with the substance-specific molar absorption coefficient at 301.0 nm, in order to calculate the nominal substitution. To our knowledge, molar absorption coefficients between 7100 l mol -1  cm -1 and 8100 l mol -1  cm -1 have been reported for the dibenzofulvene-piperidine adduct at 301.0 nm. Depending on the applied value, the nominal batch size may differ up to 14%. In this publication, a determination of the molar absorption coefficients at 301.0 and 289.8 nm is reported. Furthermore, proof is given that by measuring the absorption at 289.8 nm the impact of wavelength accuracy is reduced. © 2017 The Authors Journal of Peptide Science published by European Peptide Society and John Wiley & Sons Ltd. © 2017 The Authors Journal of Peptide Science published by European Peptide Society and John Wiley & Sons Ltd.

Electricity/oil substitution

International Nuclear Information System (INIS)

Melvin, J.G.

1980-09-01

The extent to which electricity could substitute for imported oil in Canada is assessed and it is concluded that the bulk of projected oil imports could be displaced. This substitution of electricity for oil could be largely completed within two decades, with existing technology, using Canadian resources. The substitution of electricity for imported oil would result in relatively low energy costs and would stimulate economic growth. Energy self-sufficiency through the substitution of electricity for oil is uniquely a Canadian option; it is not open to other industrial countries. The option exists because of Canada's resources of oil sands for essential liquid fuels, hydraulic and nuclear electrical potential, and natural gas as an interim source of energy. While other countries face an energy crisis due to declining supplies of oil, Canada faces opportunities. The policies of Federal and Provincial governments, as perceived by individual decision makers, will have a major influence on Canada's ability to realize opportunities. (auth)

Approaches in Substitution of Organic Solvents

DEFF Research Database (Denmark)

Jacobsen, Thomas

2000-01-01

In substitution of harmful chemicals or products with less harmful or harmless ones, there are different approaches according to the different situations, the technical requirements to the substitutes, and the goals for the substitution. Three different cases are presented. The substitution process...

Methylation of the phosphate oxygen moiety of phospholipid-methoxy(polyethylene glycol) conjugate prevents PEGylated liposome-mediated complement activation and anaphylatoxin production

DEFF Research Database (Denmark)

Moghimi, S.M.; Hamad, I.; Andresen, Thomas Lars

2006-01-01

Methoxy(polyethylene glycol), mPEG, -grafted liposomes are known to exhibit prolonged circulation time in the blood, but their infusion into a substantial percentage of human subjects triggers immediate non-IgE-mediated hypersensitivity reactions. These reactions are strongly believed to arise from...... to PEGylated liposome-mediated complement activation. Our findings provide a rational conceptual basis for development of safer vesicles for site-specific drug delivery and controlled release at pathological sites....

Lipase Catalyzed Kinetic Resolution of rac-2-(3-Methoxy-4-methylphenyl) propan-1-ol and rac-2-(3-Hydroxy-4-methylphenyl)propyl propanoate for S-(+)-Xanthorrhizol

International Nuclear Information System (INIS)

Shafioul, Azam Sharif Mohammed; Cheong, Chan Seong

2012-01-01

Xanthorrhizol is a bisabolane type of natural sesquiterpene, the major component of essential oils of Curcuma xanthorrhiza. 2-(3-Methoxy-4-methylphenyl)propan-1-ol and 2-(3-hydroxy-4-methyl phenyl)propan-1-ol could be essential building block for enantioselective synthesis of xanthorrhizol. Enantioselective (c = 53%, E = 80 ± 3) for R-(+)-2-(3-hydroxy-4-methylphenyl) propan-1-ol and (c = 58%, E = 27 ± 1) for R-(+)-2-(3- methoxy-4-methylphenyl) propan-1-ol resolution processes were developed via lipase-catalyzed reaction. We found lipase Aspergillus oryzae (AOL) and Porcine pancreas (PPL) are selective to transesterification and hydrolysis in organic and aqueous phase. Modified demethylated substrate is appropriate for enantioselective hydrolysis reaction without any additives. Enantiopure chiral alcohol was crystallized from ethyl acetate/ n-hexane co-solvent system. Gram scale resolved chiral intermediate will facilitate the synthesis of the unnatural S-(+)-xanthorrhizol, the corresponding isomer of the natural one

Lipase Catalyzed Kinetic Resolution of rac-2-(3-Methoxy-4-methylphenyl) propan-1-ol and rac-2-(3-Hydroxy-4-methylphenyl)propyl propanoate for S-(+)-Xanthorrhizol

Energy Technology Data Exchange (ETDEWEB)

Shafioul, Azam Sharif Mohammed [University of Science and Technology, Daejeon (Korea, Republic of); Cheong, Chan Seong [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

2012-02-15

Xanthorrhizol is a bisabolane type of natural sesquiterpene, the major component of essential oils of Curcuma xanthorrhiza. 2-(3-Methoxy-4-methylphenyl)propan-1-ol and 2-(3-hydroxy-4-methyl phenyl)propan-1-ol could be essential building block for enantioselective synthesis of xanthorrhizol. Enantioselective (c = 53%, E = 80 ± 3) for R-(+)-2-(3-hydroxy-4-methylphenyl) propan-1-ol and (c = 58%, E = 27 ± 1) for R-(+)-2-(3- methoxy-4-methylphenyl) propan-1-ol resolution processes were developed via lipase-catalyzed reaction. We found lipase Aspergillus oryzae (AOL) and Porcine pancreas (PPL) are selective to transesterification and hydrolysis in organic and aqueous phase. Modified demethylated substrate is appropriate for enantioselective hydrolysis reaction without any additives. Enantiopure chiral alcohol was crystallized from ethyl acetate/ n-hexane co-solvent system. Gram scale resolved chiral intermediate will facilitate the synthesis of the unnatural S-(+)-xanthorrhizol, the corresponding isomer of the natural one.

New 2-Methoxy Acetylenic Acids and Pyrazole Alkaloids from the Marine Sponge Cinachyrella sp.

Directory of Open Access Journals (Sweden)

Amin Mokhlesi

2017-11-01

Full Text Available Three new 2-methoxy acetylenic acids (1–3 and a known derivative (4, in addition to three new natural pyrazole alkaloids (5–7 were isolated from an Indonesian marine sponge of the genus Cinachyrella. Compounds 5 and 6 have previously been reported as synthetic compounds. The structures of the new compounds were established on the basis of one- and two-dimensional NMR spectroscopy as well as by mass spectrometric data. The absolute configuration of the new acetylenic acid derivatives (1–3 was established by ECD spectroscopy. All isolated compounds were evaluated for their cytotoxicity against L5178Y mouse lymphoma cells. Compounds 1–4 exhibited strong activity with an IC50 value of 0.3 µM. A plausible biosynthetic pathway for the pyrazole metabolites 5–7 is proposed.

The Complimentary Role of Methoxy-Isobutyl-Isonitrile and Hand-Held Gamma Probe in Adamantinoma

Science.gov (United States)

Maharaj, Masha; Korowlay, Nisaar; Ellmann, Prof

2016-01-01

Adamantinoma is a rare locally aggressive osteolytic tumor that is found 90% of the time in the diaphysis of the tibia with the remaining lesions found in the fibula and long tubular bones. A case of adamantinoma of the tibia is presented. The added value of nuclear medicine investigations in the workup of this patient is described. A three-phase whole body 99mTc-methylene diphosphonate bone and a whole body 99mTc-methoxy-isobutyl-isonitrile scans were complimentary in the demarcation of viable bone tumor and the assessment of the remainder of the bone and soft tissue to exclude other sites. Intra-operative assistance with a hand-held gamma probe, guided the biopsy of the most metabolically active tumor tissue. Histology revealed a biphasic tumor composed of epithelial and fibrous components, in keeping with an adamantinoma. PMID:26912979

Medicineringsfejl ved generisk substitution

DEFF Research Database (Denmark)

Rölfing, Jan

2012-01-01

Generic substitution is a major cause of medical mistakes in the general population. Danish legislation obligates pharmacies to substitute prescribed medicine with the cheapest equivalent formulation, despite variations in product name, packaging, shape and colour. Consequently, medical mistakes...... occur. Scientific evidence on the consequences of generic substitution is sparse. Call upon fellow health workers to report medical mistakes to the national entities and scientific peers, in order to increase awareness and scientific evidence about the problem....

Preparation and assessment of [99mTc]technetium aquacarbonyl complexes with 1,2-diaminoethane-N-substituted ligands for tumor detection

International Nuclear Information System (INIS)

Radin, Adriano

2010-01-01

Over least 15 years the complex [[ 99m Tc](H 2 0) 3 (CO) 3 ] + has been used as an intermediary to obtain technetium radiopharmaceuticals for applications in cardiology, neurology and oncology. Two important characteristics of this molecule are: the facility for obtaining that compound from aqueous solutions and the easiness of substituting H 2 O molecules by atoms of other ligand molecules. In this project we prepared new complexes [[ 99m Tc](CMN S001-3 )(H 2 O)(CO) 3 ] + , where (CMNS001) = N-[(4-methoxy) benzyl]-1,2-diaminoethane, (CMNS003) = N,N'-bis-[(4-methoxy)benzyl]-1,2-diaminoethane, and assessed the uptake of these complexes in murine melanoma cancer cell B16F10 and breast cells MCF-7 and MDA-MD-231, and compared with [[ 99m ](MIBI) 6 ] + uptake. In vitro uptake for both new technetium complex reached values close to 5%, for all cell lines, whereas the [[ 99m Tc](MIBI) 6 ] + uptake was close to 1 %. The assessment of subcellular distribution showed high accumulation of the new complex in the membrane fraction, for MDAMB-231, while for B16F10 accumulation occurred both in membrane and cytoplasm; the concentration of [[ 99m Tc](MIBI) 6 ] + was mainly in the cytoplasm portion. Biodistribution study in mice allowed to observe the capture of up to 1.6% of the administered dose per gram of tumor tissue for the complex [[ 99m Tc](CMNS001)(H 2 O)(CO) 3 ] + , whereas other organs such as heart, lung and muscle, showed uptake of about 5.6%, 6.4% and 2%, respectively. The complexes in this work showed a high rate of uptake in vitro, but was not reproduced in vivo model, which can be related to low concentration of the complexes inside the cells and reduced vascularity of tumor tissue, with lower intake of complex through the blood system. (author)

Electronic structure and pair potential energy analysis of 4-n-methoxy-4′-cyanobiphenyl: A nematic liquid crystal

Energy Technology Data Exchange (ETDEWEB)

Sharma, Dipendra, E-mail: d-11sharma@rediffmail.com; Tiwari, S. N., E-mail: sntiwari123@rediffmail.com [Department of Physics, DDU Gorakhpur University, Gorakhpur (India); Dwivedi, M. K., E-mail: dwivedi-ji@gmail.com [Department of Physics, Banaras Hindu University, Varanasi (India)

2016-05-06

Electronic structure properties of 4-n-methoxy-4′-cyanobiphenyl, a pure nematic liquid crystal have been examined using an ab‒initio, HF/6‒31G(d,p) technique with GAMESS program. Conformational and charge distribution analysis have been carried out. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the liquid crystal molecule have been calculated. Further, stacking, side by side and end to end interactions between a molecular pair have been evaluated. Results have been used to elucidate the physico-chemical and liquid crystalline properties of the system.

Solvent substitution

International Nuclear Information System (INIS)

1990-01-01

The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general ''Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated

A kryptoracemic salt: 2-{[2,8-bis(trifluoromethylquinolin-4-yl](hydroxymethyl}piperidin-1-ium (+-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Directory of Open Access Journals (Sweden)

James L. Wardell

2016-06-01

Full Text Available The asymmetric unit of the title salt, C17H17F6N2O+·C10H8F3O3−, comprises two piperidin-1-ium cations and two carboxylate anions. The cations, each having an l-shaped conformation owing to the near orthogonal relationship between the quinolinyl and piperidin-1-ium residues, are pseudo-enantiomeric. The anions have the same absolute configuration but differ in the relative orientations of the carboxylate, methoxy and benzene groups. Arguably, the most prominent difference between the anions occurs about the Cq—Om bond as seen in the Cc—Cq—Om—Cm torsion angles of −176.1 (3 and −67.1 (4°, respectively (q = quaternary, m = methoxy and c = carboxylate. The presence of Oh—H...Oc and Np—H...Oc hydrogen bonds leads to the formation of a supramolecular chain along the a axis (h = hydroxy and p = piperidin-1-ium; weak intramolecular Np—H...Oh hydrogen bonds are also noted. Chains are connected into a three-dimensional architecture by C—H...F interactions. Based on a literature survey, related molecules/cations adopt a uniform conformation in the solid state based on the letter L.

40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

Science.gov (United States)

2010-07-01

... the following criteria, derived from Society of Automotive Engineers (SAE) standards and recommended... Substitutes] Application Substitute Decision Conditions Comments Electronics Cleaning w/CFC-113 and MCF HFC... Sector [Acceptable Subject to Narrowed Use Limits] Application Substitute Decision Comments Electronics...

Optimal ordering quantities for substitutable deteriorating items under joint replenishment with cost of substitution

Science.gov (United States)

Mishra, Vinod Kumar

2017-09-01

In this paper we develop an inventory model, to determine the optimal ordering quantities, for a set of two substitutable deteriorating items. In this inventory model the inventory level of both items depleted due to demands and deterioration and when an item is out of stock, its demands are partially fulfilled by the other item and all unsatisfied demand is lost. Each substituted item incurs a cost of substitution and the demands and deterioration is considered to be deterministic and constant. Items are order jointly in each ordering cycle, to take the advantages of joint replenishment. The problem is formulated and a solution procedure is developed to determine the optimal ordering quantities that minimize the total inventory cost. We provide an extensive numerical and sensitivity analysis to illustrate the effect of different parameter on the model. The key observation on the basis of numerical analysis, there is substantial improvement in the optimal total cost of the inventory model with substitution over without substitution.

Electrical stimulation promotes nerve cell differentiation on polypyrrole/poly (2-methoxy-5 aniline sulfonic acid) composites.

Science.gov (United States)

Liu, Xiao; Gilmore, Kerry J; Moulton, Simon E; Wallace, Gordon G

2009-12-01

The purpose of this work was to investigate for the first time the potential biomedical applications of novel polypyrrole (PPy) composites incorporating a large polyelectrolyte dopant, poly (2-methoxy-5 aniline sulfonic acid) (PMAS). The physical and electrochemical properties were characterized. The PPy/PMAS composites were found to be smooth and hydrophilic and have low electrical impedance. We demonstrate that PPy/PMAS supports nerve cell (PC12) differentiation, and that clinically relevant 250 Hz biphasic current pulses delivered via PPy/PMAS films significantly promote nerve cell differentiation in the presence of nerve growth factor (NGF). The capacity of PPy/PMAS composites to support and enhance nerve cell differentiation via electrical stimulation renders them valuable for medical implants for neurological applications.

Solvent substitution

Energy Technology Data Exchange (ETDEWEB)

1990-01-01

The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

Statistical Physics of Complex Substitutive Systems

Science.gov (United States)

Jin, Qing

Diffusion processes are central to human interactions. Despite extensive studies that span multiple disciplines, our knowledge is limited to spreading processes in non-substitutive systems. Yet, a considerable number of ideas, products, and behaviors spread by substitution; to adopt a new one, agents must give up an existing one. This captures the spread of scientific constructs--forcing scientists to choose, for example, a deterministic or probabilistic worldview, as well as the adoption of durable items, such as mobile phones, cars, or homes. In this dissertation, I develop a statistical physics framework to describe, quantify, and understand substitutive systems. By empirically exploring three collected high-resolution datasets pertaining to such systems, I build a mechanistic model describing substitutions, which not only analytically predicts the universal macroscopic phenomenon discovered in the collected datasets, but also accurately captures the trajectories of individual items in a complex substitutive system, demonstrating a high degree of regularity and universality in substitutive systems. I also discuss the origins and insights of the parameters in the substitution model and possible generalization form of the mathematical framework. The systematical study of substitutive systems presented in this dissertation could potentially guide the understanding and prediction of all spreading phenomena driven by substitutions, from electric cars to scientific paradigms, and from renewable energy to new healthy habits.

Voltammetric behavior, biocidal effect and synthesis of some new nanomeric fused cyclic thiosemicarbazones and their mercuric(II salts

Directory of Open Access Journals (Sweden)

M.S.T. Makki

2014-11-01

Full Text Available New nanomeric 3-thioxo-5-methoxy-4,5-dihydro-6-methyl-9-unsubstituted/substituted-1,2,4-triazino[5,6-b]indoles (2a–c and 3-thioxo-5-methoxy-4,5-dihydro-6,7-dihydroxy-1,2,4-triaino[5,6]-cyclobut-6-ene (3 were prepared via reaction of thiosemicarbazide with 5-unsubstitutedand/substituted-indol-2,3-diones and/or 3,4-dihydroxycyclobutane-1,2-dione in methanol–concentrated HCl at room temperature. A series of mercury(II–ligand salts e.g. compound 4b and Hg(II complexes 5a,b and 6 of cyclic Schiff base were prepared. Structures of these compounds were established by elemental analysis and spectral measurements. The redox characteristics of selected compounds were studied for use as chelating agents for stripping voltammetric determination of mercuric(II ions in aqueous media. The compounds were also screened for their use as molluscicidal agents against Biomophalaria Alexandrina Snails responsible for Bilhariziasis.

Synthesis, characterization of some novel 1,3,4-oxadiazole compounds containing 8-hydroxy quinolone moiety as potential antibacterial and anticancer agents

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Vinayak Mahadev Adimule

2014-12-01

Full Text Available In the present work a series of novel derivatives of 8-hydroxy quinolone substituted 1,3,4-oxadiazole compounds were synthesized by convergent synthetic method and studied for their antibacterial and anticancer properties. The cell lines used for cytotoxic evaluation were HeLa, Caco-2 and MCF7. The synthetic chemistry involved conversion of various substituted aromatic acids into ethyl ester 2a-e. The ethyl ester was converted into corresponding carbohydrazide 3a-e. Carbohydrazides are reacted with chloroacetic acid, phosphorous oxytrichloride and irradiated with microwave in order to obtain the various key intermediates 2-(chloromethyl-5-(substituted phenyl-1,3,4-oxadiazole 4a-e. The 2-(chloromethyl-5-(substituted phenyl-1,3,4-oxadiazole was reacted with 8-hydroxy quinolone in presence of sodium hydride and obtained a series of 8-hydroxy quinoline substituted 1,3,4-oxadiazoles 5a-e. Among the synthesised compounds, the cytotoxicity of the compound 5b i.e. 8-{[5-(2,4-dichlorophenyl-1,3,4-oxadiazol-2-yl]methoxy}quinoline against MCF7 with IC50 of 5.3µM and the compound 5e i.e. 8-{[5-(4-bromophenyl-1,3,4-oxadiazol-2-yl]methoxy}quinoline showed MIC of < 6.25µg/mL against Staphylococcus aureus which is comparable with the known standards. The standards used for cytotoxic evaluation was 5-fluorouracil and for antibacterial was nitrofurazone

Biologic and synthetic skin substitutes: An overview.

Science.gov (United States)

Halim, Ahmad Sukari; Khoo, Teng Lye; Mohd Yussof, Shah Jumaat

2010-09-01

The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. Skin substitutes have important roles in the treatment of deep dermal and full thickness wounds of various aetiologies. At present, there is no ideal substitute in the market. Skin substitutes can be divided into two main classes, namely, biological and synthetic substitutes. The biological skin substitutes have a more intact extracellular matrix structure, while the synthetic skin substitutes can be synthesised on demand and can be modulated for specific purposes. Each class has its advantages and disadvantages. The biological skin substitutes may allow the construction of a more natural new dermis and allow excellent re-epithelialisation characteristics due to the presence of a basement membrane. Synthetic skin substitutes demonstrate the advantages of increase control over scaffold composition. The ultimate goal is to achieve an ideal skin substitute that provides an effective and scar-free wound healing.

Biologic and synthetic skin substitutes: An overview

Directory of Open Access Journals (Sweden)

Halim Ahmad

2010-10-01

Full Text Available The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. Skin substitutes have important roles in the treatment of deep dermal and full thickness wounds of various aetiologies. At present, there is no ideal substitute in the market. Skin substitutes can be divided into two main classes, namely, biological and synthetic substitutes. The biological skin substitutes have a more intact extracellular matrix structure, while the synthetic skin substitutes can be synthesised on demand and can be modulated for specific purposes. Each class has its advantages and disadvantages. The biological skin substitutes may allow the construction of a more natural new dermis and allow excellent re-epithelialisation characteristics due to the presence of a basement membrane. Synthetic skin substitutes demonstrate the advantages of increase control over scaffold composition. The ultimate goal is to achieve an ideal skin substitute that provides an effective and scar-free wound healing.

Bone substitute biomaterials

CERN Document Server

Mallick, K

2014-01-01

Bone substitute biomaterials are fundamental to the biomedical sector, and have recently benefitted from extensive research and technological advances aimed at minimizing failure rates and reducing the need for further surgery. This book reviews these developments, with a particular focus on the desirable properties for bone substitute materials and their potential to encourage bone repair and regeneration. Part I covers the principles of bone substitute biomaterials for medical applications. One chapter reviews the quantification of bone mechanics at the whole-bone, micro-scale, and non-scale levels, while others discuss biomineralization, osteoductivization, materials to fill bone defects, and bioresorbable materials. Part II focuses on biomaterials as scaffolds and implants, including multi-functional scaffolds, bioceramics, and titanium-based foams. Finally, Part III reviews further materials with the potential to encourage bone repair and regeneration, including cartilage grafts, chitosan, inorganic poly...

Substituting freshwater: Can ocean desalination and water recycling capacities substitute for groundwater depletion in California?

Science.gov (United States)

Badiuzzaman, Pierre; McLaughlin, Eoin; McCauley, Darren

2017-12-01

While the sustainability of resource depletion is a longstanding environmental concern, wider attention has recently been given to growing water scarcity and groundwater depletion. This study seeks to test the substitutability assumption embedded in weak sustainability indicators using a case study of Californian water supply. The volume of groundwater depletion is used as a proxy for unsustainable water consumption, and defined by synthesising existing research estimates into low, medium and high depletion baselines. These are compared against projected water supply increases from ocean desalination and water recycling by 2035, to determine whether new, drought-proof water sources can substitute for currently unsustainable groundwater consumption. Results show that the maximum projected supply of new water, 2.47 million acre-feet per year (MAF/yr), is sufficient to meet low depletion estimates of 2.02 MAF/yr, but fails to come near the high depletion estimate of 3.44 MAF/yr. This does not necessarily indicate physical limitations of substitutability, but more so socio-economic limitations influenced by high comparative costs. By including capacities in demand-substitutability via urban water conservation, maximum predicted capacities reach 5.57 MAF/yr, indicating wide room for substitution. Based on these results, investment in social and institutional capital is an important factor to enhance demand-side substitutability of water and other natural resources, which has been somewhat neglected by the literature on the substitutability of natural resources. Copyright © 2017 Elsevier Ltd. All rights reserved.

The glucosylceramide synthase inhibitor N-(5-adamantane-1-yl-methoxy-pentyl)-deoxynojirimycin induces sterol regulatory element-binding protein-regulated gene expression and cholesterol synthesis in HepG2 cells

NARCIS (Netherlands)

Bijl, Nora; Scheij, Saskia; Houten, Sander; Boot, Rolf G.; Groen, Albert K.; Aerts, Johannes M. F. G.

2008-01-01

Recent findings have implicated glycosphingolipids as modulators of insulin receptor activity. Studies with C57BL/6J ob/ob mice have shown that insulin sensitivity is enhanced by the synthetic hydrophobic iminosugar N-(5-adamantane-1-yl-methoxy-pentyl)- deoxynojirimycin (AMP-DNM) that inhibits

40 CFR 721.4420 - Substituted hydroxylamine.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Substituted hydroxylamine. 721.4420... Substances § 721.4420 Substituted hydroxylamine. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as substituted hydroxylamine (PMN P-84-492) is...

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

Solid polymer electrolytes based on alternating copolymers of vinyl ethers with methoxy oligo(ethyleneoxy)ethyl groups and vinylene carbonate

International Nuclear Information System (INIS)

Itoh, Takahito; Fujita, Katsuhito; Inoue, Kentaro; Iwama, Hiroki; Kondoh, Kensaku; Uno, Takahiro; Kubo, Masataka

2013-01-01

Graphical abstract: - Highlights: • Synthesis of alternating copolymers of vinyl ethers and vinylene carbonate. • Preparation of polymer electrolytes based on the alternating copolymers with LiTFSI. • Structure-property relationship for alternating copolymers-based electrolytes. • Interfacial stability between polymer electrolytes with lithium metal electrode. - Abstract: Alternating copolymers (poly(1a-g-alt-VC)) of vinyl ethers with various methoxy oligo(ethyleneoxy)ethyl groups and vinylene carbonate (VC) were prepared, and the thermal and electrochemical properties of their polymer electrolytes with LiTFSI and interfacial stability between the polymer electrolyte and Li metal electrode were investigated. T g 's increased linearly with salt contents, and decreased with an increase in the chain length of methoxy oligo(ethyleneoxy)ethyl groups in the vinyl ethers at constant salt concentration. The slopes of T g vs. [Li]/[O] were identical, independent of the polymer structure. The ionic conductivities of the polymer electrolytes increased with increasing the side-chain ethyleneoxy (EO) unit length of the vinyl ether unit in the alternating copolymers, and also their temperature dependences became relatively smaller in the polymer electrolytes having longer EO units in the vinyl ethers. The highest ionic conductivity, 1.2 × 10 −4 S/cm at 30 °C, was obtained in the alternating copolymer with a side-chain EO unit length of 23.5 in the vinyl ether unit. Ion transport coupled with the segmental motion of the polymer is dominant in these polymer electrolytes. Interfacial resistance increased gradually with contact time, indicative of the formation of passivation films on the Li metal electrode. These polymer electrolytes are thermally stable and have large electrochemical windows of use

Substitutes for School Nurses in Illinois

Science.gov (United States)

Vollinger, Linda Jeno; Bergren, Martha Dewey; Belmonte-Mann, Frances

2011-01-01

The purpose of this descriptive study was to explore utilization of nurse substitutes in the school setting in Illinois. The literature described personnel who staff the school health office in the absence of the school nurse and the barriers to obtaining nurse substitutes. There were no empirical studies conducted on school nurse substitutes in…

Modeling competitive substitution in a polyelectrolyte complex

International Nuclear Information System (INIS)

Peng, B.; Muthukumar, M.

2015-01-01

We have simulated the invasion of a polyelectrolyte complex made of a polycation chain and a polyanion chain, by another longer polyanion chain, using the coarse-grained united atom model for the chains and the Langevin dynamics methodology. Our simulations reveal many intricate details of the substitution reaction in terms of conformational changes of the chains and competition between the invading chain and the chain being displaced for the common complementary chain. We show that the invading chain is required to be sufficiently longer than the chain being displaced for effecting the substitution. Yet, having the invading chain to be longer than a certain threshold value does not reduce the substitution time much further. While most of the simulations were carried out in salt-free conditions, we show that presence of salt facilitates the substitution reaction and reduces the substitution time. Analysis of our data shows that the dominant driving force for the substitution process involving polyelectrolytes lies in the release of counterions during the substitution

Substitutional analysis

CERN Document Server

Rutherford, Daniel Edwin

2013-01-01

Classic monograph, suitable for advanced undergraduates and graduate students. Topics include calculus of permutations and tableaux, semi-normal representation, orthogonal and natural representations, group characters, and substitutional equations. 1968 edition.

Aryl substitution of pentacenes

Directory of Open Access Journals (Sweden)

Andreas R. Waterloo

2014-07-01

Full Text Available A series of 11 new pentacene derivatives has been synthesized, with unsymmetrical substitution based on a trialkylsilylethynyl group at the 6-position and various aryl groups appended to the 13-position. The electronic and physical properties of the new pentacene chromophores have been analyzed by UV–vis spectroscopy (solution and thin films, thermoanalytical methods (DSC and TGA, cyclic voltammetry, as well as X-ray crystallography (for 8 derivatives. X-ray crystallography has been specifically used to study the influence of unsymmetrical substitution on the solid-state packing of the pentacene derivatives. The obtained results add to our ability to better predict substitution patterns that might be helpful for designing new semiconductors for use in solid-state devices.

Aryl substitution of pentacenes

Science.gov (United States)

Waterloo, Andreas R; Sale, Anna-Chiara; Lehnherr, Dan; Hampel, Frank

2014-01-01

Summary A series of 11 new pentacene derivatives has been synthesized, with unsymmetrical substitution based on a trialkylsilylethynyl group at the 6-position and various aryl groups appended to the 13-position. The electronic and physical properties of the new pentacene chromophores have been analyzed by UV–vis spectroscopy (solution and thin films), thermoanalytical methods (DSC and TGA), cyclic voltammetry, as well as X-ray crystallography (for 8 derivatives). X-ray crystallography has been specifically used to study the influence of unsymmetrical substitution on the solid-state packing of the pentacene derivatives. The obtained results add to our ability to better predict substitution patterns that might be helpful for designing new semiconductors for use in solid-state devices. PMID:25161729

Fluorescence method for the determination of carcinogenic N-nitrosamines using N-(8-methoxy-5-quinolinesulfonyl)-aziridine

International Nuclear Information System (INIS)

Gracheva, I.N.; Kovel'man, I.R.; Pimenova, V.V.; Tochilkin, A.I.; Zhukova, G.F.

1986-01-01

The determination of carcinogenic N-nitrosamines (NA) in the environment and particularly in food products is, according to the authors, extremely important. The objective of the present work is the development of an easily accessible and highly sensitive method for the determination of NA. NA, isolated from food products, are denitrosated to their corresponding amines, which are then determined in the form of fluorescent derivatives by reaction with N-(8-methoxy-5-quinolinesulfonyl) aziridine. The validity of the results of NA analysis from food product was confirmed by gas-liquid chromatography using a thermoluminescent detector TEA-502. The limit of detection is 1x10 -10 mole of N-nitrosamine. The possibility of separating and determining the new fluorescent derivatives III(a-f) on silufol plates, which are easily obtained and widely used in analytical practice, was examined

Computational study of cation substitutions in apatites

International Nuclear Information System (INIS)

Tamm, Toomas; Peld, Merike

2006-01-01

Density-functional theory plane-wave modeling of fluor- and hydroxyapatites has been performed, where one or two calcium ions per unit cell were replaced with cadmium or zinc cations. It was found that cadmium ions favor Ca(1) positions in fluorapatites and Ca(2) positions in hydroxyapatites, in agreement with experiment. A similar pattern is predicted for zinc substitutions. In the doubly substituted cases, where only hydroxyapatites were modeled, a preference for the substituting ions to be located in Ca(2) position was also observed. Displacement of the hydroxide ions from their symmetrical positions on the hexagonal axis can be used to explain the preferred configurations of substituting ions around the axis. -- Deformation of the hydroxide ion chain due to substitutions around the ion channel in substituted hydroxyapatites

Some symmetrical halogen and methoxy exchange reactions in aromatic systems; Quelques reactions symetriques d'echanges d'halogenes et de groupes methoxyles dans les composes aromatiques; Simmetricheskie reaktsii s galoidnym i metoksidnym obmenom v aromaticheskikh sistemakh; Algunas reacciones simetricas de intercambio de halogenos y grupos metoxilo en compuestos aromaticos

Energy Technology Data Exchange (ETDEWEB)

Broadbank, R W.C.; Harhash, A H.E.; Kanchanalai, S [Leicester College of Technology and Commerce, Leicester (United Kingdom)

1962-03-15

Isotope tracers are essential in the study of the kinetics of symmetrical nucleophilic substitution reactions at an aromatic carbon atom. The iodine exchange between iodo-nitro-aromatic compounds and iodide ions in acetone or methanol solution has been studied both qualitatively and quantitatively by labelling the iodide ions with iodine-131. The reaction mixture is sampled at convenient time intervals, the two reactants separated by toluene-water extraction, and the progress of the reaction ascertained by beta-counting with a liquid Geiger counter. Measurements have been extended to 'carrier-free' concentrations of iodide ions. The preparation of certain nitro-methoxy-aromatic compounds, labelled with carbon-14 in the methoxy group, is described. Symmetrical methoxy exchange reactions of these compounds with methoxide ions, in methanol solution, have been studied. After separation of the reactants (from samples of the reaction mixture taken at convenient time intervals) by toluene-water extraction, the aromatic compounds are recovered and then specific activities determined by beta-scintillation counting with a plastic phosphor. In the discussion of the experimental data, special attention is paid to the effect of ionic strength on the specific rate of the reaction. Comparison is made with ionic strength effects observed in symmetrical biomolecular nucleophilic reactions at a saturated (aliphatic) carbon atom, and reference is made to certain other aromatic nucleophilic substitution reactions. (author) [French] Les indicateurs radioactifs sont indispensables pour l'etude cinetique des reactions symetriques de substitution nucleophilique dans l'atome carbone de aromatique. L'echange d'iode entre des composes iodo-nitro-aromatiques et des ions iodure dissous dans de l'acetone ou du methanol a ete etudie a la fois quantitativement et qualitativement par marquage des ions iodure a l'iode-131. Le melange reactif a ete echantillonne a des intervalles appropries, les

Currency substitution in Eastern Europe

NARCIS (Netherlands)

van Aarle, B.; Budina, N.

1995-01-01

Monetary instability during the transition process from a command economy to a market economy has induced a considerable increase in currency substitution in Eastern Europe. Currency substitution itself affects monetary stability since it reduces the stability of velocity. This paper investigates

Chitosan Dermal Substitute and Chitosan Skin Substitute Contribute to Accelerated Full-Thickness Wound Healing in Irradiated Rats

Directory of Open Access Journals (Sweden)

Abu Bakar Mohd Hilmi

2013-01-01

Full Text Available Wounds with full-thickness skin loss are commonly managed by skin grafting. In the absence of a graft, reepithelialization is imperfect and leads to increased scar formation. Biomaterials can alter wound healing so that it produces more regenerative tissue and fewer scars. This current study use the new chitosan based biomaterial in full-thickness wound with impaired healing on rat model. Wounds were evaluated after being treated with a chitosan dermal substitute, a chitosan skin substitute, or duoderm CGF. Wounds treated with the chitosan skin substitute showed the most re-epithelialization (33.2 ± 2.8%, longest epithelial tongue (1.62 ± 0.13 mm, and shortest migratory tongue distance (7.11 ± 0.25 mm. The scar size of wounds treated with the chitosan dermal substitute (0.13 ± 0.02 cm and chitosan skin substitute (0.16 ± 0.05 cm were significantly decreased (P<0.05 compared with duoderm (0.45 ± 0.11 cm. Human leukocyte antigen (HLA expression on days 7, 14, and 21 revealed the presence of human hair follicle stem cells and fibroblasts that were incorporated into and surviving in the irradiated wound. We have proven that a chitosan dermal substitute and chitosan skin substitute are suitable for wound healing in full-thickness wounds that are impaired due to radiation.

Synthesis and in Vitro Antifungal Activity against Botrytis cinerea of Geranylated Phenols and Their Phenyl Acetate Derivatives

Directory of Open Access Journals (Sweden)

María I. Chávez

2015-08-01

Full Text Available The inhibitory effects on the mycelial growth of plant pathogen Botritys cinerea have been evaluated for a series of geranylphenols substituted with one, two and three methoxy groups in the aromatic ring. The results show that the antifungal activity depends on the structure of the geranylphenols, increasing from 40% to 90% by increasing the number of methoxy groups. On the other hand, the acetylation of the –OH group induces a change of activity that depends on the number of methoxy groups. The biological activity of digeranyl derivatives is lower than that exhibited by the respective monogeranyl compound. All tested geranylphenols have been synthesized by direct coupling of geraniol and the respective phenol. The effect of solvent on yields and product distribution is discussed. For monomethoxyphenols the reaction gives better yields when acetonitrile is used as a solvent and AgNO3 is used as a secondary catalyst. However, for di- and trimethoxyphenols the reaction proceeds only in dioxane.

Synthesis and in Vitro Antifungal Activity against Botrytis cinerea of Geranylated Phenols and Their Phenyl Acetate Derivatives

Science.gov (United States)

Chávez, María I.; Soto, Mauricio; Taborga, Lautaro; Díaz, Katy; Olea, Andrés F.; Bay, Camila; Peña-Cortés, Hugo; Espinoza, Luis

2015-01-01

The inhibitory effects on the mycelial growth of plant pathogen Botritys cinerea have been evaluated for a series of geranylphenols substituted with one, two and three methoxy groups in the aromatic ring. The results show that the antifungal activity depends on the structure of the geranylphenols, increasing from 40% to 90% by increasing the number of methoxy groups. On the other hand, the acetylation of the –OH group induces a change of activity that depends on the number of methoxy groups. The biological activity of digeranyl derivatives is lower than that exhibited by the respective monogeranyl compound. All tested geranylphenols have been synthesized by direct coupling of geraniol and the respective phenol. The effect of solvent on yields and product distribution is discussed. For monomethoxyphenols the reaction gives better yields when acetonitrile is used as a solvent and AgNO3 is used as a secondary catalyst. However, for di- and trimethoxyphenols the reaction proceeds only in dioxane. PMID:26287171

Substitution between cars within the household

DEFF Research Database (Denmark)

De Borger, Bruno; Mulalic, Ismir; Rouwendal, Jan

2016-01-01

In this paper we study the demand for car kilometres in two-car households, focusing on the substitution between cars of different fuel efficiency in response to fuel price changes. We use a large sample of detailed Danish data on two-car households to estimate – for each car owned by the household...... – own and cross-price effects of increases in fuel costs per kilometre. The empirical results show that failure to capture substitution between cars within the household can result in substantial misspecification biases. Ignoring substitution, the basic model yielded fuel price elasticities of 0.......98 and 1.41 for the primary and secondary cars, respectively. Accounting for substitution effects, these figures reduce to, respectively, 0.32 and 0.45. Consistent with substitution behaviour, we find that the fuel price elasticity of fuel demand exceeds the elasticity of kilometre demands with respect...

Elasticity of Substitution and Antidumping Measures

DEFF Research Database (Denmark)

Drud Hansen, Jørgen; Meinen, Philipp; Nielsen, Jørgen Ulff-Møller

Abstract This paper analyzes the role of the elasticity of substitution for anti-dumping decisions across countries. In monopolistic competition models with cost heterogeneous firms across countries, price differences vary inversely with the elasticity of substitution. Anti-dumping duties should...... therefore also vary inversely with the elasticity of substitution at least for countries which have a strong focus on prices in the determination of their anti-dumping measures. We test this for ten countries from 1990 to 2009 using data on anti-dumping from Chad Bown (2010) and US-data at 8-digit level...... in our empirical investigation support the predicted role of the elasticity of substitution as we find a significant negative relation between the elasticity of substitution and the final anti-dumping duties for the ‘lesser duty rule’ group of countries. The countries which do not follow the ‘lesser duty...

Synthesis and Antimicrobial Studies of Some Novel Pyrazoline and Isoxazoline Derivatives

Directory of Open Access Journals (Sweden)

S. B. jadhav

2009-01-01

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

Biological background of dermal substitutes

NARCIS (Netherlands)

van der Veen, V. C.; van der Wal, M.B.; van Leeuwen, M.C.; Ulrich, M.; Middelkoop, E.

2010-01-01

Dermal substitutes are of major importance in treating full thickness skin defects, both in acute and chronic wounds. In this review we will outline specific requirements of three classes of dermal substitutes:-natural biological materials, with a more or less intact extracellular matrix

Methoxy polyethylene glycol-epoetin beta for the treatment of anemia associated with chronic renal failure.

Science.gov (United States)

Schmid, Holger

2016-01-01

Since more than two decades erythropoiesis-stimulating agents are the main pillar for treatment of anemia associated with chronic kidney disease. Methoxy polyethylene glycol-epoetin beta (MPG-EPO), also called continuous erythropoietin receptor activator, is the longest acting erythropoiesis-stimulating agent currently available. MPG-EPO is characterized by an elimination half-life of approximately 137 h and offers extended dosing intervals up to 4 weeks. Numerous phase I/II studies and a comprehensive clinical phase III program demonstrated the feasibility of MPG-EPO therapy for anemia correction and maintenance of stable hemoglobin levels in adult chronic kidney disease patients. Due to patent disputes MPG-EPO was only available outside the US market so far. In view of a prevailing US market introduction, this review focuses on efficacy and safety data from pivotal trials, summarizes recent clinical research and finally tries to substantiate potential benefits associated with the use of this anti-anemic drug.

Morphology and performance of poly(2-methoxy-5-(20-ethyl-hexyloxy)-p-phenylenevinylene) (MEH-PPV) : (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) based polymer solar cells

NARCIS (Netherlands)

Liu, L.J.; Bavel, van S.S.; Wen, S.P.; Yang, X.N.; Loos, J.

2013-01-01

Polymer solar cells were fabricated based on composite films of poly(2-methoxy-5-(2-ethyl-hexyloxy)-1,4-phenylenevinylene) (MEH-PPV):fullerene derivative (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) with weight blend ratio of 1:3, 1:4 and 1:5, spin-coated from chloroform (CF), chlorobenzene

Synthesis, Characterization and Conductivity Study of Poly(vinyl 4-HYDROXY-3-METHOXY Benzal) and its Sodio Salt in Solid State

Science.gov (United States)

Borah, P.; Hussain, S.; Dutta, A.

Among the various ion-conducting materials, polymer salt complexes are of current interest due to their possible application as solid electrolyte as well as their physical nature in advanced high-energy electrochemical devices such as batteries, fuel cells, electrochromic display devices, photo electro-chemical solar cells52-55 etc. The main advantages of polymeric electrolytes are their mechanical properties, ease of fabrication of thin films of desired sizes and their ability to form proper electrode-electrolyte contact. Polymer electrolyte usually consists of a polymer and a salt and is considered to be solid solutions in which the polymer functions as solvent. In the present paper the synthesis, characterization and the conductivity study of the polymer poly (vinyl 4-hydroxy-3-methoxy benzal) (PV-HMB) and its sodio salt (PV-HMB-Na) have been reported. The polymer was prepared by carrying out homogenous acetalization between the prepolymer poly vinylalcohol (PVA) and 4-hydroxy-3-methoxy benzaldehyde (vanilline). PVA was dissolved in dimethyl formamide (DMF) and lithium chloride (LiCl) system i.e., in non-aqueous medium. The sodio salt was prepared by alkalization. The polymer and its salt were characterized by IR, 1H NMR and DSC. Frequency and temperature dependence of ac conductivity has been studied to learn about the electrical conduction behaviour in this material. The electrical conductivity of the new polymeric salt was found to be in the range 10-4 to 10-6 Scm-1. There is about 103 to 104 fold increase in the conductivity of the new polymer salt. Apparent activation energy of the polymer and its salt were found to be 0.139 and 0.08998 ev respectively.

Organic compounds containing methoxy and cyanoacrylic acid: Synthesis, characterization, crystal structures, and theoretical studies

Energy Technology Data Exchange (ETDEWEB)

Khalaji, A. D., E-mail: alidkhalaji@yahoo.com [Golestan University, Department of Chemistry, Faculty of Science (Iran, Islamic Republic of); Maddahi, E. [Iran University of Science & Technology, Ms.C Educated, Department of Chemistry (Iran, Islamic Republic of); Dusek, M.; Fejfarova, K. [Institute of Physics of the ASCR, v.v.i. (Czech Republic); Chow, T. J. [Academia Sinica, Institute of Chemistry (China)

2015-12-15

Metal-free organic compounds 24-SC ((E)-2-cyano-3-(2,4-dimethoxyphenyl)acrylic acid) and 34-SC ((E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid), containing methoxy groups as a donor and the acrylic acid as an acceptor were synthesized and characterized by CHN, FT-IR, UV-Vis, {sup 1}H-NMR and single crystal X-ray diffraction and used as photosensitizers for the application of dye-sensitized solar cells (DSSC). The sensitizing characteristics of them were evaluated. Both compounds contain the natural molecule, its anionic form and the piperidinium cation and they differ by number of these molecules in the asymmetric unit. To get further insight into the effect of molecular structure on the performance of DSSC, their geometry and energies of HOMO and LUMO were optimized by density functional theory calculation at the B3LYP/6-31G(d) level with Gaussian 03. Overall conversion efficiencies of 0.78 under full sunlight irradiation are obtained for DSSCs based on the new metal-free organic dyes 24-SC and 34-SC.

Substitution in recreation choice behavior

Science.gov (United States)

George L. Peterson; Daniel J. Stynes; Donald H. Rosenthal; John F. Dwyer

1985-01-01

This review discusses concepts and theories of substitution in recreation choice. It brings together the literature of recreation research, psychology, geography, economics, and transportation. Parallel and complementary developments need integration into an improved theory of substitution. Recreation decision behavior is characterized as a nested or sequential choice...

Why Does Trigonometric Substitution Work?

Science.gov (United States)

Cunningham, Daniel W.

2018-01-01

Modern calculus textbooks carefully illustrate how to perform integration by trigonometric substitution. Unfortunately, most of these books do not adequately justify this powerful technique of integration. In this article, we present an accessible proof that establishes the validity of integration by trigonometric substitution. The proof offers…

Substituted Indoleacetic Acids Tested in Tissue Cultures

DEFF Research Database (Denmark)

Engvild, Kjeld Christensen

1978-01-01

Monochloro substituted IAA inhibited shoot induction in tobacco tissue cultures about as much as IAA. Dichloro substituted IAA inhibited shoot formation less. Other substituted IAA except 5-fluoro- and 5-bromoindole-3-acetic acid were less active than IAA. Callus growth was quite variable...

Currency Substitution and Inflation in Peru Currency Substitution and Inflation in Peru

OpenAIRE

Liliana Rojas-Suarez

1992-01-01

This paper shows that there is a long-run relationship between the expected rate of depreciation in the black-market-exchange rate and the ratio of domestic to foreign money in Peru: that is, the hypothesis of currency substitution can explain the behavior of real holdings of money in Peru. The paper also shows that, while, the importance of currency substitution as a transmission mechanism through which domestic policies affected the dynamics of inflation was relatively small during a period...

The Morishima Gross elasticity of substitution

OpenAIRE

Blackorby, Charles; Primont, Daniel; Russell, R. Robert

2007-01-01

We show that the Hotelling-Lau elasticity of substitution, an extension of the Allen-Uzawa elasticity to allow for optimal output-quantity (or utility) responses to changes in factor prices, inherits all of the failings of the Allen-Uzawa elasticity identified by Blackorby and Russell [1989 AER]. An analogous extension of the Morishima elasticity of substitution to allow for output quantity changes preserves the salient properties of the original Hicksian notion of elasticity of substitution.

Lifetimes and reactivities of some 1,2-didehydroazepines commonly used in photoaffinity labeling experiments in aqueous solutions.

Science.gov (United States)

Rizk, Mary S; Shi, Xiaofeng; Platz, Matthew S

2006-01-17

The reactive 1,2-didehydroazepine (cyclic ketenimine) intermediates produced upon photolysis of phenyl azide, 3-hydroxyphenyl azide, 3-methoxyphenyl azide, and 3-nitrophenyl azide in water and in HEPES buffer were studied by laser flash photolysis techniques with UV-vis detection of the transient intermediates. The lifetimes of the 1,2-didehydroazepines were obtained along with the absolute rate constants of their reactions with typical amino acids, nucleosides, and other simple reagents present in a biochemical milieu. The nitro substituent greatly accelerates the bimolecular reactions of the cyclic ketenimines, and the 3-methoxy group greatly decelerates the absolute reactivity of 1,2-didehydroazepines. The intermediate produced by photolysis of 3-hydroxyphenyl azide is much more reactive than the intermediate produced by photolysis of 3-methoxyphenyl azide. We propose that the hydroxyl-substituted 1,2-didehydoazepines rapidly (ketenimines undergo hydrolysis. Azepinones react more rapidly with nucleophiles than do methoxy-substituted 1,2-didehydroazepines and are the active species present upon the photolysis of 3-hydroxyphenyl azide in aqueous solution.

Substitution of matrices over rings

NARCIS (Netherlands)

Hautus, M.L.J.

1995-01-01

For a given commutative ring with an identity element, we define and study the substitution of a matrix with entries in into a matrix polynomial or rational function over . A Bezout-type remainder theorem and a "partial-substitution rule" are derived and used to obtain a number of results. The

Zinc and Carbonate Co-Substituted Nano-Hydroxyapatite

Science.gov (United States)

Girija, E. K.; Kumar, G. Suresh; Thamizhavel, A.

2011-07-01

Synthesis of Zn or CO32- substituted nano-hydroxyapatite (HA) and its physico-chemical properties have been well documented. However, the effects of the simultaneous substitution of Zn and CO32- in nano-HA have not been reported. In the present study, Zn and CO32- substitutions in nano HA independently and concurrently have been done by wet precipitation method and characterized by XRD and FT-IR for its phase purity and chemical homogeneity. Further modulations of the bioactivity and thermal stability of HA due to the substitutions have been studied.

Rotifer neuropharmacology--III. Adrenergic drug effects on Brachionus plicatilis.

Science.gov (United States)

Keshmirian, J; Nogrady, T

1987-01-01

Norepinephrine (NE) induces three pharmacological effects in Brachionus plicatilis. As a result of excitation the rate of ciliary motion and swimming increases, and the animals flip their foot constantly at a rapid rate. This rapid foot flipping was used as a specific model to measure adrenergic effects in B. plicatilis. Phenylephrine induces the same effect at identical efficacy, while isoproterenol and salbutamol, two beta-agonists, show one-half and one-tenth NE efficacy. The beta blocker propranolol and the alpha blocker tolazoline both antagonize foot flipping induced by NE. However, propranolol shows antagonism because it causes foot paralysis by itself. Timolol, another beta blocker but without the membrane effect of propranolol, does not antagonize the alpha receptor mediated NE effect, nor does it cause foot paralysis. Propranolol, timolol and tolazoline also show agonist activity, inducing foot flipping. NE does not antagonize the foot paralysis induced by propranolol, only its anesthetic effect by delaying its onset. These results indicate that the foot flipping induced by NE is a receptor-mediated alpha adrenergic effect, while the foot paralysis is caused by membrane phenomena.

Substituting missing data in compositional analysis

Energy Technology Data Exchange (ETDEWEB)

Real, Carlos, E-mail: carlos.real@usc.es [Area de Ecologia, Departamento de Biologia Celular y Ecologia, Escuela Politecnica Superior, Universidad de Santiago de Compostela, 27002 Lugo (Spain); Angel Fernandez, J.; Aboal, Jesus R.; Carballeira, Alejo [Area de Ecologia, Departamento de Biologia Celular y Ecologia, Facultad de Biologia, Universidad de Santiago de Compostela, 15782 Santiago de Compostela (Spain)

2011-10-15

Multivariate analysis of environmental data sets requires the absence of missing values or their substitution by small values. However, if the data is transformed logarithmically prior to the analysis, this solution cannot be applied because the logarithm of a small value might become an outlier. Several methods for substituting the missing values can be found in the literature although none of them guarantees that no distortion of the structure of the data set is produced. We propose a method for the assessment of these distortions which can be used for deciding whether to retain or not the samples or variables containing missing values and for the investigation of the performance of different substitution techniques. The method analyzes the structure of the distances among samples using Mantel tests. We present an application of the method to PCDD/F data measured in samples of terrestrial moss as part of a biomonitoring study. - Highlights: > Missing values in multivariate data sets must be substituted prior to analysis. > The substituted values can modify the structure of the data set. > We developed a method to estimate the magnitude of the alterations. > The method is simple and based on the Mantel test. > The method allowed the identification of problematic variables in a sample data set. - A method is presented for the assessment of the possible distortions in multivariate analysis caused by the substitution of missing values.

(E-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenylethenyl]pyridine

Directory of Open Access Journals (Sweden)

Youness El Bakri

2016-12-01

Full Text Available In the crystal of the title compound, C16H16N2O3, weak C—H...O hydrogen bonds involving the nitro group as acceptor form chains extending in the b-axis direction. The chains are arranged into layers by π–π stacking interactions along the c-axis direction between the substituted pyridine rings, separated by 3.624 (1 Å.

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

International Nuclear Information System (INIS)

Chen Wei; Shi Wen; Li Zhao; Ma Huimin; Liu Yang; Zhang Jinghua; Liu Qingjun

2011-01-01

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

Convenient synthesis of benzothiazoles and benzimidazoles through Brønsted acid catalyzed cyclization of 2-amino thiophenols/anilines with β-diketones.

Science.gov (United States)

Mayo, Muhammad Shareef; Yu, Xiaoqiang; Zhou, Xiaoyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming

2014-02-07

Brønsted acid catalyzed cyclization reactions of 2-amino thiophenols/anilines with β-diketones under oxidant-, metal-, and radiation-free conditions are described. Various 2-substituted benzothiazoles/benzimidazoles are obtained in satisfactory to excellent yields. Different groups such as methyl, chloro, nitro, and methoxy linked on benzene rings were tolerated under the optimized reaction conditions.

Determinants of generic drug substitution in Switzerland

Directory of Open Access Journals (Sweden)

Lufkin Thomas M

2011-01-01

Full Text Available Abstract Background Since generic drugs have the same therapeutic effect as the original formulation but at generally lower costs, their use should be more heavily promoted. However, a considerable number of barriers to their wider use have been observed in many countries. The present study examines the influence of patients, physicians and certain characteristics of the generics' market on generic substitution in Switzerland. Methods We used reimbursement claims' data submitted to a large health insurer by insured individuals living in one of Switzerland's three linguistic regions during 2003. All dispensed drugs studied here were substitutable. The outcome (use of a generic or not was modelled by logistic regression, adjusted for patients' characteristics (gender, age, treatment complexity, substitution groups and with several variables describing reimbursement incentives (deductible, co-payments and the generics' market (prices, packaging, co-branded original, number of available generics, etc.. Results The overall generics' substitution rate for 173,212 dispensed prescriptions was 31%, though this varied considerably across cantons. Poor health status (older patients, complex treatments was associated with lower generic use. Higher rates were associated with higher out-of-pocket costs, greater price differences between the original and the generic, and with the number of generics on the market, while reformulation and repackaging were associated with lower rates. The substitution rate was 13% lower among hospital physicians. The adoption of the prescribing practices of the canton with the highest substitution rate would increase substitution in other cantons to as much as 26%. Conclusions Patient health status explained a part of the reluctance to substitute an original formulation by a generic. Economic incentives were efficient, but with a moderate global effect. The huge interregional differences indicated that prescribing behaviours and

Substitution within the Danish printing industry

DEFF Research Database (Denmark)

Larsen, Henrik Fred; Bøg, Carsten

2009-01-01

are running a substitution project. A major part of the work has been mapping the presence of chemicals which are potential candidates for substitution (e.g. PBT, CMR, vPvB, EDS) within the Danish printing industry and this work was recently finished. The mapping comprises a combination of a literature study......The implementation of the EU REACH regulation will most probably promote substitution within sectors handling a lot of different chemicals like the printing industry. With the aim of being at the cutting edge of this development the Danish EPA together with the Danish printing industry and IPU...... total 15 substances) were found in the Danish printing industry. This paper presents the results of the mapping of chemical candidates and the first results on preparing for actual substitutions....

Technological substitution options for controlling greenhouse gas emissions

International Nuclear Information System (INIS)

Barbier, E.B.; Burgess, J.C.; Pearce, D.W.

1991-01-01

This chapter is concerned with technological options for greenhouse gas substitution. The authors interpret the term substitution to exclude energy conservation/efficiency measures, investments in afforestation (sinks), and greenhouse gas removal or abatement technologies. Their working definition of greenhouse gas substitution includes (1) replacement technologies, for example, substituting a greenhouse gas technology with a nongreenhouse gas technology; and (2) reduction technologies, for example, substituting a greenhouse gas technology with an alternative technology that reduces greenhouse gas emissions. Essentially, replacement technologies involve 100 percent reduction in CO 2 ; reduction technologies involve a partial reduction in CO 2 . Of the man-made sources of greenhouse gases, energy is the most important and is expected to contribute to at least half of the global warming effect in the near future. The majority of this impact is from fossil fuel combustion as a source of carbon dioxide (CO 2 ), although fossil fuels also contribute significantly to methane (CH 4 ), to nitrous oxide (N 2 O), and to low-level ozone (O 3 ) through production of various nitrogen gases (NO x ) and carbon monoxide (CO). This study analyzes the available greenhouse gas substitutions and their costs. The authors concentrate particularly on substitutions for fossil-fuel combustion and CFC production and consumption. They conclude by summarizing the potential for greenhouse gas substitution, the cost-effectiveness of the various options and the design of incentives for substitution

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

Directory of Open Access Journals (Sweden)

Sabir Hussain

2015-05-01

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

Carrier transport and luminescence properties of nanocomposites of poly[2-methoxy-5-(2-ethyl hexyloxy)-p-phenylene vinylene] and dehydrated nanotubes titanic acid.

Science.gov (United States)

Zhang, Ting; Xu, Zheng; Liu, Ran; Teng, Feng; Wang, Yongsheng; Xu, Xurong

2007-12-01

The carrier transport capability and luminescence efficiency of poly(2-methoxy-5-(2-ethyl hexyloxy)-p-phenylene vinylene) (MEH-PPV) films are enhanced by doping with dehydrated nanotubed titanic acid (DNTA). MEH-PPV molecules, either wrapped on the outer surface of or encapsulated into DNTA pores, have a more open, straighter conformation than undoped molecules, which induces a longer conjugated backbone and stronger interchain interactions, thereby, enhancing carrier mobility. MEH-PPV molecules within DNTA pores have higher exciton recombination efficiency owing to quantum confinement and the antenna effect.

Synthesis of some novel 4-aza-tricyclo[5.2.2.0 2,6 ]undecane-3,5,8-triones from 2-trimethylsilyloxy-1,3-cyclohexadiene and 1-methoxy-1,3-cyclohexadiene

Directory of Open Access Journals (Sweden)

Hosapalya Thimmaiah Srinivasa

2012-01-01

Full Text Available The synthesis and characterization of nine novel Diels-Alder cycloadducts: the 4-aza-tricyclo[5.2.2.0 2,6] undecane-3,5,8-triones using 2-trimethylsilyloxy-1,3-cyclohexadiene and 1-methoxy-1,3-cyclohexadiene is reported. The isolated yields of the pure cycloadducts range between 75 to 95%.

Antimony substitution in SmFeAsO

Energy Technology Data Exchange (ETDEWEB)

Schmidt, Daniel; Braun, Hans F. [Universitaet Bayreuth (Germany)

2015-07-01

In the iron based compounds structural and magnetic phase transitions can be suppressed by applying external hydrostatic pressure and superconductivity emerges. Beside hydrostatic pressure, it is possible to apply chemical pressure by the substitution of atoms in the compounds with smaller ones. Such a substitution was successful for example in LaFeAs{sub 1-x}P{sub x}O, where the parent compound shows a structural and a spin-density-wave transition and the P doped samples become superconducting. We are interested in the opposite way and substitute the As by the bigger Sb. In literature, the substitution in the La-1111 compounds was possible up to a substitution level of 40 %. With Sm, instead of La, we used a smaller rare-earth metal. We present the results obtained on polycrystalline samples characterized by Xray powder diffraction and resistivity measurements.

[Delegation yes, substitution no!].

Science.gov (United States)

Schroeder, A

2014-08-01

The aging of society leads on the one hand to increasing case numbers and on the other hand to a reduction in the number of physicians available for patient treatment. The delegation and substitution of medical duties as a tried and tested method is increasingly being recommended in order to compensate for the lack of physicians. The Berufsverband der Deutschen Urologen (BDU, Professional Association of German Urologists) supports the guiding principle of the Bundesärztekammer (Federal Medical Council) of "delegation yes, substitution no" and rejects a substitution of medical duties by non-medical academic health personnel. Against the background of the demographic changes, the increasing need for treatment and the current deficiency of junior physicians, a more extensive inclusion of well-qualified and experienced non-medical personnel by the delegation of medically responsible duties (medical scope of practice) can be an appropriate measure to maintain a good medical service in practices, hospitals and nursing homes.

Substituting missing data in compositional analysis

International Nuclear Information System (INIS)

Real, Carlos; Angel Fernandez, J.; Aboal, Jesus R.; Carballeira, Alejo

2011-01-01

Multivariate analysis of environmental data sets requires the absence of missing values or their substitution by small values. However, if the data is transformed logarithmically prior to the analysis, this solution cannot be applied because the logarithm of a small value might become an outlier. Several methods for substituting the missing values can be found in the literature although none of them guarantees that no distortion of the structure of the data set is produced. We propose a method for the assessment of these distortions which can be used for deciding whether to retain or not the samples or variables containing missing values and for the investigation of the performance of different substitution techniques. The method analyzes the structure of the distances among samples using Mantel tests. We present an application of the method to PCDD/F data measured in samples of terrestrial moss as part of a biomonitoring study. - Highlights: → Missing values in multivariate data sets must be substituted prior to analysis. → The substituted values can modify the structure of the data set. → We developed a method to estimate the magnitude of the alterations. → The method is simple and based on the Mantel test. → The method allowed the identification of problematic variables in a sample data set. - A method is presented for the assessment of the possible distortions in multivariate analysis caused by the substitution of missing values.

Magnetite nanoparticles coated with methoxy polyethylene glycol as an efficient adsorbent of diazinon pesticide from water

Directory of Open Access Journals (Sweden)

Mahboubeh Saeidi

2016-12-01

Full Text Available Methoxy polyethylene glycol modified magnetite nanoparticles (PEGMNs were synthesized and characterized by scanning electron microscopy (SEM, vibrating sample magnetometer (VSM, and X-ray diffraction (XRD. The adsorption of diazinon onto PEGMNs was investigated by UV-Vis spectrophotometry at 236 nm, through batch experiments. The effects of adsorbent dosage, solution pH, contact time, solution temperature and water impurities on the adsorption of diazinon onto PEGMNs were investigated. The process of adsorption was increased rapidly in the first contact period of 10 min. The adsorption at equilibrium (qe was found to increase with increasing pH. The results of diazinon removal at various PEGMNs dosages demonstrated that the optimum dose of PEGMNs was 1mg. The amount of adsorption of diazinon at equilibrium increased with an increasing temperature from 15°C to 45°C that indicateds an endothermic process. Therefore, PEGMNs were used as an efficient absorbent for the removal of diazinon.

Development of a diesel substitute fuel

Energy Technology Data Exchange (ETDEWEB)

Reiter, Anton; Mair-Zelenka, Philipp [Graz Univ. of Technology (Austria). Inst. of Chemical Engineering and Environmental Technology; Zeymer, Marc [OMV Refining and Marketing GmbH, Vienna (Austria). MRDI-D Product Development and Innovation

2013-06-01

Substitute fuels composed of few real chemical compounds are an alternative characterisation approach for conventional fuels as opposed to the traditional pseudo-component method. With the algorithm proposed in this paper the generation of such substitutes will be facilitated and well-established thermodynamic methods can be applied for physical property-data prediction. Based on some quality criteria like true boiling-point curve, liquid density, C/H ratio, or cloud point of a target fuel a surrogate which meets these properties is determined by fitting its composition. The application and capabilities of the algorithm developed are demonstrated by means of an exemplary diesel substitute fuel. The substitute mixture obtained can be generated and used for evaluation of property-prediction methods. Furthermore this approach can help to understand the effects of mixing fossil fuels with biogenic compounds. (orig.)

Tonemic Substitution

African Journals Online (AJOL)

Ezenwafor

grammatical constructions. The choice of substitutable tonemes as observed from the analyzed data is highly. Ezenwafordependent on the intuitive judgement of the native speaker. This work shows with adequate data, that regular tonemic changes are not always meaningful in Ekwulobia lect. Such tonemic alternations are ...

Surface properties of nanostructured NiO undergoing electrochemical oxidation in 3-methoxy-propionitrile

Science.gov (United States)

Bonomo, Matteo; Marrani, Andrea Giacomo; Novelli, Vittoria; Awais, Muhammad; Dowling, Denis P.; Vos, Johannes G.; Dini, Danilo

2017-05-01

Nanostructured nickel oxide (NiO) was deposited in the configuration of thin film (thickness, l = 2-6 μm) onto fluorine-doped tin oxide (FTO) substrates via plasma-assisted rapid discharge sintering (RDS). Electrochemical cycling of RDS NiO in 3-methoxy-propionitrile (3-MPN) revealed two characteristic peaks of NiO oxidation which were associated to the surface-confined redox processes Ni(II) → Ni(III) and Ni(III) → Ni(IV). Grazing angle X-ray photoelectron spectroscopy (XPS) was conducted ex-situ on NiO electrodes in both pristine and oxidized states. Oxidized NiO samples for XPS experiments were obtained in the potentiostatic mode through the polarization of NiO at its two characteristic potentials of oxidation. The XPS analysis allowed to ascertain the electronic structure of the nanoporous NiO framework, and verify the adsorption of perchlorate and chloride anions onto NiO surface due to the compensation of the charge stored in oxidized NiO. XPS also revealed that the spectrum within the region characteristic of Ni 2p ionization does not vary considerably with the state of charge of the nickel centres. This finding is in evident contrast to what has been observed for the same system when it undergoes electrochemical oxidation in aqueous electrolyte.

A novel design of reactive distillation configuration for 2-methoxy-2-methylheptane process

Directory of Open Access Journals (Sweden)

Hussain Arif

2017-01-01

Full Text Available The study aims to reveal the possibility of reactive distillation (RD in the 2-methoxy-2-methylheptane (MMH production process. MMH is getting more industrial and academic interests as a gasoline additive to replace methyl tert-butyl ether. Traditionally, MMH is obtained by carrying out the reaction in the reactor followed by three distillation columns. The high yield of MMH could be achieved by keeping the large reactor size or by using the large excess of 2-methyl-1-heptene (MH. Both former and latter strategies are associated with the high capital and operating costs. To solve these problems, this study proposed an innovative RD configuration to take synergistic benefits of reaction and separation involved. This innovative RD configuration allows the production of MMH with significantly lower capital, operating and total annual costs. For desired MMH yield, the result demonstrates that the proposed RD configuration can reduce energy, capital, and total annual costs up to 7.7, 31.3, and 17.1%, respectively, compared to a conventional process. Furthermore, the influence of some important design parameters on the RD column performance was also explored to overcome the temperature limitation of acid resin catalyst inside the reactive zone of the RD column.

40 CFR Appendix B to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

Science.gov (United States)

2010-07-01

... demonstrate it can be used safely in this end-use. CFC-12 Motor Vehicle Air Conditioners (Retrofit and New... Conditions Application Substitute Decision Conditions Comments CFC-12 Automobile Motor Vehicle Air... refrigerant. CFC-12 Automobile Motor Vehicle Air Conditioning (New equipment only) R-152a as a substitute for...

Hydroxamic acid content and toxicity of rye at selected growth stages.

Science.gov (United States)

Rice, Clifford P; Park, Yong Bong; Adam, Frédérick; Abdul-Baki, Aref A; Teasdale, John R

2005-08-01

Rye (Secale cereale L.) is an important cover crop that provides many benefits to cropping systems including weed and pest suppression resulting from allelopathic substances. Hydroxamic acids have been identified as allelopathic compounds in rye. This research was conducted to improve the methodology for quantifying hydroxamic acids and to determine the relationship between hydroxamic acid content and phytotoxicity of extracts of rye root and shoot tissue harvested at selected growth stages. Detection limits for an LC/MS-MS method for analysis of hydroxamic acids from crude aqueous extracts were better than have been reported previously. (2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one (DIBOA-G), 2,4-dihydroxy-(2H)-1,4-benzoxazin-3(4H)-one (DIBOA), benzoxazolin-2(3H)-one (BOA), and the methoxy-substituted form of these compounds, (2R)-2-beta-D-glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one (DIMBOA glucose), 2,4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one (DIMBOA), and 6-methoxy-benzoxazolin-2(3H)-one (MBOA), were all detected in rye tissue. DIBOA and BOA were prevalent in shoot tissue, whereas the methoxy-substituted compounds, DIMBOA glucose and MBOA, were prevalent in root tissue. Total hydroxamic acid concentration in rye tissue generally declined with age. Aqueous crude extracts of rye shoot tissue were more toxic than extracts of root tissue to lettuce (Lactuca sativa L.) and tomato (Lycopersicon esculentum Mill.) root length. Extracts of rye seedlings (Feekes growth stage 2) were most phytotoxic, but there was no pattern to the phytotoxicity of extracts of rye sampled at growth stages 4 to 10.5.4, and no correlation of hydroxamic acid content and phytotoxicity (I50 values). Analysis of dose-response model slope coefficients indicated a lack of parallelism among models for rye extracts from different growth stages, suggesting that phytotoxicity may be attributed to compounds with different modes of action at

Crystal structures of 4-methoxy-N-(4-methylphenylbenzenesulfonamide and N-(4-fluorophenyl-4-methoxybenzenesulfonamide

Directory of Open Access Journals (Sweden)

Vinola Z. Rodrigues

2015-11-01

Full Text Available Crystal structures of two N-(arylarylsulfonamides, namely, 4-methoxy-N-(4-methylphenylbenzenesulfonamide, C14H15NO3S, (I, and N-(4-fluorophenyl-4-methoxybenzenesulfonamide, C13H12FNO3S, (II, were determined and analyzed. In (I, the benzenesulfonamide ring is disordered over two orientations, in a 0.516 (7:0.484 (7 ratio, which are inclined to each other at 28.0 (1°. In (I, the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19°, while in (II, the planes of the two benzene rings form a dihedral angle of 44.26 (13°. In the crystal structure of (I, N—H...O hydrogen bonds form infinite C(4 chains extended in [010], and intermolecular C—H...πaryl interactions link these chains into layers parallel to the ab plane. The crystal structure of (II features N—H...O hydrogen bonds forming infinite one dimensional C(4 chains along [001]. Further, a pair of C—H...O intermolecular interactions consolidate the crystal packing of (II into a three-dimensional supramolecular architecture.

Charge transport through conducting organic poly(2-methoxy-5- (2-ethylhexyloxy)-1, 4-phenylenevinylene)

International Nuclear Information System (INIS)

Kumar, Pankaj; Misra, Aparna; Kamalasanan, M N; Jain, S C; Kumar, Vikram

2007-01-01

Current-voltage (J-V) characteristics of poly(2-methoxy-5- (2-ethyhexyloxy)-1, 4-phenylenevinylene)(MEH-PPV) have been studied in the hole-only devices ITO/PEDOT : PSS/MEH-PPV/Au, as a function of temperature from 300 to 98 K. Hole conduction in MEH-PPV has been well explained by an exponential trap-controlled drift model. In a considerable range of applied voltages, current obeys the power law J ∼ V l+1 , where l = T c /T and T c is the characteristic temperature of the exponential trap distribution. Assuming the effective density of states N ν = 2.7 x 10 18 cm -3 , the holes trap density (H b ) and characteristic temperature (T c ) have been calculated to be 1 x 10 18 cm -3 and 550 K, respectively. As the voltage further increases current deviates and becomes smaller than J ∼ V l+1 . At low temperatures and sufficiently high-applied voltages, current follows the V 2 law. At higher temperatures slopes less than 2 of the log J-log V plots have been observed. The possible reasons for this behaviour are mentioned

The substitution bias of the consumer price index

OpenAIRE

Frenger, Petter

2006-01-01

Abstract: The paper uses elementary consumer theory to propose an inflation independent ratio definition of the substitution bias of the Laspeyres consumer price index, and derives an approximate substitution bias which depends on the size of the price change as measured by a norm in the Laspeyres plane and on the elasticity of substitution in the direction of the price change. This norm or distance measure can be interpreted as a price substitution index which yields useful in...

Operator substitution

NARCIS (Netherlands)

Hautus, M.L.J.

1994-01-01

Substitution of an operator into an operator-valued map is defined and studied. A Bezout-type remainder theorem is used to derive a number of results. The tensor map is used to formulate solvability conditions for linear matrix equations. Some applications to system theory are given, in particular

Substitution reactions of technetium complexes

International Nuclear Information System (INIS)

Omori, T.

1997-01-01

Substitution reactions of a series of technetium complexes are considered in comparison with corresponding reactions of rhenium. Rhenium and technetium complexes are rather inert in substitution reactions, the latter are characterized by greater rate constants when they proceed according to dissociative mechanism. In rare cases when k Tc /k Re id little it is assumed that the reaction proceeds according to the associative mechanism. (author)

Maximum parsimony, substitution model, and probability phylogenetic trees.

Science.gov (United States)

Weng, J F; Thomas, D A; Mareels, I

2011-01-01

The problem of inferring phylogenies (phylogenetic trees) is one of the main problems in computational biology. There are three main methods for inferring phylogenies-Maximum Parsimony (MP), Distance Matrix (DM) and Maximum Likelihood (ML), of which the MP method is the most well-studied and popular method. In the MP method the optimization criterion is the number of substitutions of the nucleotides computed by the differences in the investigated nucleotide sequences. However, the MP method is often criticized as it only counts the substitutions observable at the current time and all the unobservable substitutions that really occur in the evolutionary history are omitted. In order to take into account the unobservable substitutions, some substitution models have been established and they are now widely used in the DM and ML methods but these substitution models cannot be used within the classical MP method. Recently the authors proposed a probability representation model for phylogenetic trees and the reconstructed trees in this model are called probability phylogenetic trees. One of the advantages of the probability representation model is that it can include a substitution model to infer phylogenetic trees based on the MP principle. In this paper we explain how to use a substitution model in the reconstruction of probability phylogenetic trees and show the advantage of this approach with examples.

Type Substitution for Object-Oriented Programming

DEFF Research Database (Denmark)

Schwartzbach, Michael Ignatieff; Palsberg, Jens

1990-01-01

Genericity allows the substitution of types in a class. This is usually obtained through parameterized classes, although they are inflexible since any class can be inherited but is not in itself parameterized. We suggest a new genericity mechanism, type substitution, which is a subclassing concep...

40 CFR 721.5350 - Substituted nitrile (generic name).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Substituted nitrile (generic name... Substances § 721.5350 Substituted nitrile (generic name). (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified generically as a substituted nitrile (PMN P-83...

Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene

KAUST Repository

Manzini, Simone

2015-03-01

The commercially-available metathesis pre-catalyst M23 has been evaluated alongside new complex [RuCl2((3-phenyl)indenylidene)(PPh3)(SIPrOMe)] (1), which bears a para-methoxy-substituted N-heterocyclic carbene ligand. Several model metathesis reactions could be conducted using only parts-per-million levels of ruthenium catalyst. The effects of the different NHC ligands on reactivity have been explored.

Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene

KAUST Repository

Manzini, Simone; Urbina Blanco, Cé sar A.; Nelson, David J.; Poater, Albert; Lebl, Tomas; Meiries, Sé bastien; Slawin, Alexandra M.Z.; Falivene, Laura; Cavallo, Luigi; Nolan, Steven P.

2015-01-01

The commercially-available metathesis pre-catalyst M23 has been evaluated alongside new complex [RuCl2((3-phenyl)indenylidene)(PPh3)(SIPrOMe)] (1), which bears a para-methoxy-substituted N-heterocyclic carbene ligand. Several model metathesis reactions could be conducted using only parts-per-million levels of ruthenium catalyst. The effects of the different NHC ligands on reactivity have been explored.

Sodium-carbonate co-substituted hydroxyapatite ceramics

Directory of Open Access Journals (Sweden)

Zoltan Z. Zyman

2013-12-01

Full Text Available Powders of sodium-carbonate co-substituted hydroxyapatite, having sodium content in the range of 0.25–1.5 wt.% with a 0.25 wt.% step, were prepared by a precipitation-solid state reaction route. Compacts of the powders were sintered in a CO2 flow (4 mL/min at 1100 °C for 2 h. The sintered ceramics contained sodium and carbonate ions in the ranges of 0–1.5 wt.% and 1.3–6 wt.%, respectively, which are typical impurity concentrations in biological apatite. A relationship between sodium and carbonate contents and the type of carbonate substitution was found. The total carbonate content progressively increased with the sodium content. The obtained ceramics showed an AB-type carbonate substitution. However, the substitution became more B-type as the sodium content increased. As a result, the carbonation was almost B-type (94 % for the highest sodium content (1.5 wt.%.

Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole

Science.gov (United States)

Sarau Devi, A.; Aswathy, V. V.; Sheena Mary, Y.; Yohannan Panicker, C.; Armaković, Stevan; Armaković, Sanja J.; Ravindran, Reena; Van Alsenoy, C.

2017-11-01

The vibrational spectra and corresponding vibrational assignments of 2-(3-methoxy-4-hydroxyphenyl)benzothiazole is reported. Single crystal XRD data of the title compound is reported and the orientation of methoxy group is cis to nitrogen atom of the thiazole ring. The phenyl ring breathing modes of the title compound are assigned at 1042 and 731 cm-1 theoretically. The charge transfer within the molecule is studied using frontier molecular orbital analysis. The chemical reactivity descriptors are calculated theoretically. The NMR spectral data predicted theoretically are in good agreement with the experimental data. The strong negative region spread over the phenyl rings, nitrogen atom and oxygen atom of the hydroxyl group in the MEP plot is due to the immense conjugative and hyper conjugative resonance charge delocalization of π-electrons. Molecule sites prone to electrophilic attacks have been determined by analysis of ALIE surfaces, while Fukui functions provided further insight into the local reactivity properties of title molecule. Autoxidation properties have been investigated by calculation of bond dissociation energies (BDEs) of hydrogen abstraction, while BDEs of the rest of the single acyclic bonds were valuable for the further investigation of degradation properties. Calculation of radial distribution functions was performed in order to determine which atoms of the title molecule have pronounced interactions with water molecules. The title compound forms a stable complex with aryl hydrocarbon receptor and can be a lead compound for developing new anti-tumor drug. Antimicrobial properties of the title compound was screened against one bacterial culture Escherchia coli and four fungal cultures viz., Aspergillus niger, Pencillum chrysogenum, Saccharomyces cerevisiae and Rhyzopus stolonifer.

Synthesis and spectroscopic examination of various substituted 1,3-dibenzoylmethane, active agents for UVA/UVB photoprotection.

Science.gov (United States)

Hubaud, Jean-Claude; Bombarda, Isabelle; Decome, Laetitia; Wallet, Jean-Claude; Gaydou, Emile M

2008-08-21

We describe the synthesis of eighteen variously substituted 1,3- dibenzoylmethane (1,3-DBM) and their change in absorption spectra depending of the nature of donor or acceptor substituents on one or the two aromatic moieties. These compounds were prepared in two steps starting from the corresponding acetophenones, phenol and benzoyl chlorides. The phenyl benzoate was obtained by condensation of benzoyl chloride with phenol in a classical way. Stirring of the phenyl benzoate and acetophenone in DMSO with powdered sodium hydroxide for a few minutes gave the dibenzoylmethane in yields depending on substituents on the phenyl rings. Changes in absorption of UVA/UVB sunlight of these molecules were observed according to the nature and the position of substituents on the phenyl rings. Molecules 2b (1-phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione), 2d (1-(3,4-dimethoxyphenyl)-3-phenyl-l,3-propanedione), 2e (1-(2,3-dimethoxyphenyl)-3-phenyl-l,3-propanedione) and 2f (1-(2,3,4-trimethoxyphenyl)-3-phenyl-l,3-propanedione) were the most interesting for cosmetic applications because even after irradiation, they preserve their absorptive in UVA range and also in UVB range The other compounds are too photounstable and so can lose their protective effects. These results showed the lack of phototoxicity of these compounds and the possibility to use them as solar filters. Therefore, variously di- or tri methoxy 1,3-DBM are interesting molecules in term of photoprotection and open new prospects for UVA photostable filters.

Educators Take Another Look at Substitutes

Science.gov (United States)

Zubrzycki, Jaclyn

2012-01-01

The mythology surrounding the substitute teacher is not a pretty one: Paper airplanes, lost learning, bullying. But as schools collect more information about teacher absenteeism and its consequences, districts and schools are exploring ways to professionalize substitute teaching--or experiment with alternative ways of coping with teacher absences.…

Sensory Substitution and Multimodal Mental Imagery.

Science.gov (United States)

Nanay, Bence

2017-09-01

Many philosophers use findings about sensory substitution devices in the grand debate about how we should individuate the senses. The big question is this: Is "vision" assisted by (tactile) sensory substitution really vision? Or is it tactile perception? Or some sui generis novel form of perception? My claim is that sensory substitution assisted "vision" is neither vision nor tactile perception, because it is not perception at all. It is mental imagery: visual mental imagery triggered by tactile sensory stimulation. But it is a special form of mental imagery that is triggered by corresponding sensory stimulation in a different sense modality, which I call "multimodal mental imagery."

Stores, Prices, and Currency Substitution

OpenAIRE

Gabriele, Camera; Winkler, Johannes

1999-01-01

We study endogenous currency substitution in a decentralized trade environment. Sellers maximize profits from sales of imperfectly substitutable goods by posting prices in either one of two currencies. A unique symmetric equilibrium exists where goods are priced only in the local currency. This occurs if foreign trade is sporadic, there is sufficient but not excessive liquidity, and discounting is low. Excess or scarcity of liquidity, however, induces sellers to extract all surplus from bu...

Commercial formalin substitutes for histopathology

DEFF Research Database (Denmark)

Prentø, P; Lyon, H

1997-01-01

We compared the performance of six commercial fixatives proposed to be formalin substitutes with the performance of buffered formalin, Clarke's ethanol-acetic acid, and ethanol, using rat liver, small intestine, and kidney. We investigated the rate of penetration, mode of fixation, extent of prot...... was obtained by combining formalin fixation with antigen retrieval. We conclude that none of the proposed commercial substitutes for buffered formalin are adequate for critical histology or histopathology....

Biologic and synthetic skin substitutes: An overview

OpenAIRE

Halim, Ahmad Sukari; Khoo, Teng Lye; Mohd. Yussof, Shah Jumaat

2010-01-01

The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. Skin substitutes have important roles in the treatment of deep dermal and full thickness wounds of various aetiologies. At present, there is no ideal substitute in the market. Skin substit...

Crystal structure of bis[μ-methoxy(pyridin-2-ylmethanolato-κ3N,O:O]bis[chloridocopper(II

Directory of Open Access Journals (Sweden)

Sujirat Boonlue

2015-02-01

Full Text Available The racemic title compound, [Cu2(C7H8NO22Cl2], is composed of dinuclear molecules in which methoxy(pyridin-2-ylmethanolate ligands bridge two symmetry-related CuII ions. Each CuII ion is coordinated in a square-planar geometry by one Cl atom, the N and O atoms of the bidentate ligand and the bridging O atom of the centrosymmetrically related bidentate ligand. The separation between the two CuII atoms is 3.005 (1 Å. In the crystal, non-classical C—H...O hydrogen bonds, weak π–π stacking [centroid–centroid distance = 4.073 (1 Å] and weak electrostatic Cu...Cl interactions [3.023 (1 Å] link the dinuclear molecules into chains running parallel to the b axis. These chains are further connected by weak C—H...Cl hydrogen bonds directed approximately along the a axis, forming a three-dimensional supramolecular network.

[Guidelines for substitution treatments in prison populations].

Science.gov (United States)

Michel, L; Maguet, O

2005-01-01

Care access for the drug addict patients in prison (in particular for the treatments of substitution) in France is very unequal from one establishment to another. This reflects the great variability of the practices of substitution and especially the absence of consensus on the methods of adaptation of these practices to the prison environment. Because of difficulties expressed by prisoners and medical staff on this subject and of stakes (let us recall that approximately 30% of the prisoners are dependent or abusers of one or more psychoactive substances), the formulation of recommendations or of a good practices guide of substitution in prison appeared necessary. Work that we detail here answers a ordering of the Advisory Commission of the Treatments of Substitution (September 2001) whose authors are members. It was presented at the session April 2003. It results from the confrontation of a review of the literature (including legal texts and official reports concerning substitution, the organization of the care in prison environment and the lawful framework), with a vast investigation. The latter was carried out near medical staff (22 prisons), penitentiary staff (3 prisons, 27 people met including directors of these establishments) and prisoners (7 establishments, 28 prisoners met) in the form of individual talks (semi-directing interviews with evaluation of the type of existing device and its knowledge by the penitentiary staff and the prisoners; statement of the suggestions, needs and requests of the medical, penitentiary staffs and of the prisoners). In the whole visited prisons, 7.8% (870) of the prisoners received substitution treatments (6.35% by buprenorphine, 1.44% by methadone), representing a proportion of substituted drug addicts (870 substituted for an evaluation of 3,350 prisoners drug addicts among the 11,168 prisoners of the 22 visited prisons) notably lower than that in free environment (56%, ie 96,000 substituted for an evaluated population of

REACH-related substitution within the Danish printing industry

DEFF Research Database (Denmark)

Larsen, Henrik Fred; Bøg, Carsten; Markussen, Helene

are running a substitution project. A major part of the work has been mapping the presence of chemicals which are potential candidates for substitution (e.g. PBT, CMR, vPvB, EDS) within the Danish printing industry. The mapping comprises a combination of a literature study and an investigation of the actual......The accomplishment of the EU REACH regulation will most probably promote substitution within sectors handling a lot of different chemicals like the printing industry. With the aim of being at the cutting edge of this development the Danish EPA together with the Danish printing industry and IPU...... fulfil one or more of the criteria (e.g. CMR, EDS) for the REACH Annex XIV candidate list (authorisation). The paper presents the results of the mapping of chemical candidates and the first results of the actual substitutions. Keywords: REACH, chemicals, substitution, printing industry....

Protein substitute for children and adults with phenylketonuria.

Science.gov (United States)

Yi, Sarah H L; Singh, Rani H

2015-02-27

Phenylketonuria is an inherited metabolic disorder characterised by an absence or deficiency of the enzyme phenylalanine hydroxylase. The aim of treatment is to lower blood phenylalanine concentrations to the recommended therapeutic range to prevent developmental delay and support normal growth. Current treatment consists of a low-phenylalanine diet in combination with a protein substitute which is free from or low in phenylalanine. Guidance regarding the use, dosage, and distribution of dosage of the protein substitute over a 24-hour period is unclear, and there is variation in recommendations among treatment centres. This is an update of a Cochrane review first published in 2005, and previously updated in 2008. To assess the benefits and adverse effects of protein substitute, its dosage, and distribution of dose in children and adults with phenylketonuria who are adhering to a low-phenylalanine diet. We searched the Cochrane Cystic Fibrosis and Genetic Disorders Group Trials Register which consists of references identified from comprehensive electronic database searches and hand searches of relevant journals and abstract books of conference proceedings. We also contacted manufacturers of the phenylalanine-free and low-phenylalanine protein substitutes for any data from published and unpublished randomised controlled trials.Date of the most recent search of the Group's Inborn Errors of Metabolism Trials Register: 03 April 2014. All randomised or quasi-randomised controlled trials comparing: any dose of protein substitute with no protein substitute; an alternative dosage; or the same dose, but given as frequent small doses throughout the day compared with the same total daily dose given as larger boluses less frequently. Both authors independently extracted data and assessed trial quality. Three trials (69 participants) are included in this review. One trial investigated the use of protein substitute in 16 participants, while a further two trials investigated the

Muon substituted free radicals

International Nuclear Information System (INIS)

Burkhard, P.; Fischer, H.; Roduner, E.; Strub, W.; Gygax, F.N.; Brinkman, G.A.; Louwrier, P.W.F.; McKenna, D.; Ramos, M.; Webster, B.C.

1984-01-01

Spin polarized energetic positive muons are injected as magnetic probes into unsaturated organic liquids. They are implemented via fast chemical processes ( -10 s) in various molecules. Of particular interest among these are muonium substituted free radicals. The technique allows determination of accurate rate coefficients for fast chemical reactions of radicals. Furthermore, radiochemical processes occuring in picoseconds after injection of the muon are studied. Of fundamental interest are also the structural and dynamical implications of substituting a proton by a muon, or in other terms, a hydrogen atom by a muonium atom. Selected examples for each of these three types of experiments are given. (Auth.)

Are Synonymous Substitutions in Flowering Plant Mitochondria Neutral?

Science.gov (United States)

Wynn, Emily L; Christensen, Alan C

2015-10-01

Angiosperm mitochondrial genes appear to have very low mutation rates, while non-gene regions expand, diverge, and rearrange quickly. One possible explanation for this disparity is that synonymous substitutions in plant mitochondrial genes are not truly neutral and selection keeps their occurrence low. If this were true, the explanation for the disparity in mutation rates in genes and non-genes needs to consider selection as well as mechanisms of DNA repair. Rps14 is co-transcribed with cob and rpl5 in most plant mitochondrial genomes, but in some genomes, rps14 has been duplicated to the nucleus leaving a pseudogene in the mitochondria. This provides an opportunity to compare neutral substitution rates in pseudogenes with synonymous substitution rates in the orthologs. Genes and pseudogenes of rps14 have been aligned among different species and the mutation rates have been calculated. Neutral substitution rates in pseudogenes and synonymous substitution rates in genes are significantly different, providing evidence that synonymous substitutions in plant mitochondrial genes are not completely neutral. The non-neutrality is not sufficient to completely explain the exceptionally low mutation rates in land plant mitochondrial genomes, but selective forces appear to play a small role.

Potential radiosensitizing agents. 5. 2-Substituted benzimidazole derivatives

International Nuclear Information System (INIS)

Gupta, R.P.; Larroquette, C.A.; Agrawal, K.C.

1982-01-01

A series of 2-substituted benzimidazoles and their derivatives have been synthesized and tested for their ability to selectively sensitize hypoxic Chinese hamster cells (V-79) toward the lethal effect of ionizing radiation. These compounds were prepared by reacting the 2-substituted benzimidazoles with 1,2-epoxy-3-methoxypropane in the presence of potassium carbonate. Reaction of the 2-nitro and 2-methylfonyl analogue with the epoxide also yielded a cyclized material, which was confirmed to be a benzimidazo[2,1-b]oxazole. In an attempt to increase the electron affinity, 5- or 6-nitro-2-substituted-benzimidazoles were also synthesized and then reacted with the epoxide to yield the corresponding 1-substituted derivatives. The results of the biological tests for the radiosensitizing activity of these agents against Chinese hamster cells (V-79) in culture indicated that the 2-nitro-substituted analogues were the most effective sensitizers in this series

Ethyl 2-amino-4-(4-bromophenyl-6-methoxy-4H-benzo[h]chromene-3-carboxylate

Directory of Open Access Journals (Sweden)

Seik Weng Ng

2013-03-01

Full Text Available In the title compound, C23H20BrNO4, the pyran ring has a flattened boat conformation with the O and methine C atoms lying to one side of the plane [0.160 (5 and 0.256 (6 Å, respectively] defined by the remaining atoms. Nevertheless, the 4H-benzo[h]chromene ring system approximates a plane (r.m.s. deviation = 0.116 Å with the bromobenzene ring almost perpendicular [dihedral angle = 83.27 (16°] and the ester group coplanar [C—C—C—O = 3.4 (5°]; the methoxy substituent is also coplanar [C—O—C—C = 174.5 (3°]. In addition to an intramolecular N—H...O(ester carbonyl hydrogen bond, the ester carbonyl O atom also forms an intermolecular N—H...O hydrogen bond with the second amine H atom, generating a zigzag supramolecular chain along the c axis in the crystal packing. The chains are linked into layers in the bc plane by N—H...Br hydrogen bonds, and these layers are consolidated into a three-dimensional architecture by C—H...π interactions.

Arylazoindazole Photoswitches : Facile Synthesis and Functionalization via SNAr Substitution

NARCIS (Netherlands)

Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T B H; Jacquemin, Denis; Otten, Edwin

2017-01-01

A straightforward synthetic route to arylazoindazoles via nucleophilic aromatic substitution is presented. Upon deprotonation of the NH group, a C6F5-substituted formazan undergoes facile cyclization as a result of intermolecular nucleophilic substitution (SNAr). This new class of azo photoswitches

Goods-Time Elasticity of Substitution in Health Production.

Science.gov (United States)

Du, Juan; Yagihashi, Takeshi

2017-11-01

We examine how inputs for health production, in particular, medical care and health-enhancing time, are combined to improve health. The estimated elasticity of substitution from a constant elasticity of substitution production function is significantly less than one for the working-age population, rejecting the unit elasticity of substitution used in previous studies. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Enhanced osteoconductivity of sodium-substituted hydroxyapatite by system instability.

Science.gov (United States)

Sang Cho, Jung; Um, Seung-Hoon; Su Yoo, Dong; Chung, Yong-Chae; Hye Chung, Shin; Lee, Jeong-Cheol; Rhee, Sang-Hoon

2014-07-01

The effect of substituting sodium for calcium on enhanced osteoconductivity of hydroxyapatite was newly investigated. Sodium-substituted hydroxyapatite was synthesized by reacting calcium hydroxide and phosphoric acid with sodium nitrate followed by sintering. As a control, pure hydroxyapatite was prepared under identical conditions, but without the addition of sodium nitrate. Substitution of calcium with sodium in hydroxyapatite produced the structural vacancies for carbonate ion from phosphate site and hydrogen ion from hydroxide site of hydroxyapatite after sintering. The total system energy of sodium-substituted hydroxyapatite with structural defects calculated by ab initio methods based on quantum mechanics was much higher than that of hydroxyapatite, suggesting that the sodium-substituted hydroxyapatite was energetically less stable compared with hydroxyapatite. Indeed, sodium-substituted hydroxyapatite exhibited higher dissolution behavior of constituent elements of hydroxyapatite in simulated body fluid (SBF) and Tris-buffered deionized water compared with hydroxyapatite, which directly affected low-crystalline hydroxyl-carbonate apatite forming capacity by increasing the degree of apatite supersaturation in SBF. Actually, sodium-substituted hydroxyapatite exhibited markedly improved low-crystalline hydroxyl-carbonate apatite forming capacity in SBF and noticeably higher osteoconductivity 4 weeks after implantation in calvarial defects of New Zealand white rabbits compared with hydroxyapatite. In addition, there were no statistically significant differences between hydroxyapatite and sodium-substituted hydroxyapatite on cytotoxicity as determined by BCA assay. Taken together, these results indicate that sodium-substituted hydroxyapatite with structural defects has promising potential for use as a bone grafting material due to its enhanced osteoconductivity compared with hydroxyapatite. © 2013 Wiley Periodicals, Inc.

40 CFR 721.4596 - Diazo substituted carbomonocyclic metal complex.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Diazo substituted carbomonocyclic... Specific Chemical Substances § 721.4596 Diazo substituted carbomonocyclic metal complex. (a) Chemical... as a diazo substituted carbomonocyclic metal complex (PMN P-94-1039) is subject to reporting under...

Synthesis of [{sup 18}F]NNC 12-0817 and [{sup 18}F]NNC 12-0818; two potential radioligands for the dopamine transporter

Energy Technology Data Exchange (ETDEWEB)

Mueller, Lars; Foged, Christian; Hohlweg, Rolf [Novo Nordisk A/S, Maaloev (Denmark). Pharmaceuticals Div.; Halldin, Christer [Karolinska Inst., Stockholm (Sweden). Dept. of Clinical Neuroscience

1995-05-01

The preparation of no-carrier-added {sup 18}F labelled NNC 12-0817 (1-(2-[bis(4-fluorophenyl)methoxy]ethyl)-4-[4-oxo-4-(2-thienyl)bu tyl]piperazine) and NNC 12-0818 (1-(2-[bis(4-fluorophenyl)methoxy]ethyl)-4-[4-hydroxy-4-(2-thienyl )butyl] piperazine) is described. NNC 12-0818 is the designation of the racemic mixture of two enantiomers. Fluorine-18 is introduced into 4-[{sup 18}F]fluoro-4`-fluorobenzophenone from the corresponding triflate salt by a nucleophilic aromatic substitution reaction. A no-carrier-added synthesis was performed in 6 steps starting from N,N-dimethylaniline and 4-fluorobenzoyl chloride giving [{sup 18}F]NNC 12-0817 and [{sup 18}F]NNC 12-0818 in good yields and a radiochemical purity after HPLC-purification higher than 99%. (author).

Questioning nuclear waste substitution: a case study.

Science.gov (United States)

Marshall, Alan

2007-03-01

This article looks at the ethical quandaries, and their social and political context, which emerge as a result of international nuclear waste substitution. In particular it addresses the dilemmas inherent within the proposed return of nuclear waste owned by Japanese nuclear companies and currently stored in the United Kingdom. The UK company responsible for this waste, British Nuclear Fuels Limited (BNFL), wish to substitute this high volume intermediate-level Japanese-owned radioactive waste for a much lower volume of much more highly radioactive waste. Special focus is given to ethical problems that they, and the UK government, have not wished to address as they move forward with waste substitution. The conclusion is that waste substitution can only be considered an ethical practice if a set of moderating conditions are observed by all parties. These conditions are listed and, as of yet, they are not being observed.

40 CFR 721.10043 - Dineopentyl-4-substituted phthalate (generic).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Dineopentyl-4-substituted phthalate... Specific Chemical Substances § 721.10043 Dineopentyl-4-substituted phthalate (generic). (a) Chemical... as dineopentyl-4-substituted phthalate (PMN P-02-697) is subject to reporting under this section for...

Import Substitution in Regional Industrial Production: Theoretical and Practical Aspects

Directory of Open Access Journals (Sweden)

Yevgeniy Georgievich Animitsa

2015-09-01

Full Text Available The article proves the important role of import substitution in the economic security protection of state and its regions, especially in times of crisis, geopolitical and economical instability. The authors argue that the problem of import substitution is not modern, trendy scientific stream. The issue of displacement of import goods by domestic ones was brought up in famous classic theories of mercantilists. The particular emphasis is placed on the analysis and systematization of different scientific approaches, which are utilized by native and foreign scientists to bring out the matter of “import substitution,” to determine its essential characteristics. The authors suggest their own interpretation of the import substitution notion. In the article, the most significant pro and contra arguments in import substitution policy are defined. The regional aspects in the import substitution are approved: case study — organization of industrial import substitution in the Sverdlovsk region. In the article, the authors analyze the subject matter of the Program “Development of Intraregional Industrial Cooperation and Implementation of an Import Substitution in Branches of Industry in the Sverdlovsk Region.” It is resumed, that active policy of import substitution in the industry may become the driver of regional economic development.

Educating T-Shaped professionals to meet substitution challenges and developing business models for substitution and recycling

Science.gov (United States)

Arroyo, Ana; Mendibil Eguiluz, Javier; Sánchez Cupido, Laura

2018-03-01

One strategy to overcome the challenges related to critical raw materials (CRMs) is their substitution and recycling. However, the bright scientific idea, proof of concept or laboratory demonstration need to cross the valley of death in order to become stated as ‘a substitute’ instead of ‘a potential substitute’. Most PhD students and Post Docs specialize within a given thematic area; for example on specific materials or on substitution in a certain application. This specialization could limit the ability to generate innovations and profitable business models if there are not enough tools and skills to transform new knowledge and research results into an appealing value proposition towards customers and to a business opportunity for the current markets. The project proposes a framework for developing substitution and recycling related cross-sectorial skills and tools. These are applied for training business-related competences e.g. teamwork, management, communication, value proposition and business models design, especially within RTOs and industries. The proposed learning itinerary can radically improve the path from scientific proof of concept into innovation and lean start up or industrial market launch. The developed framework is tested by a pilot group having several topics within the areas of substitution and recycling of critical raw materials.

Synthesis of Novel Benzimidazolyl-substituted Acrylonitriles and Amidino-substituted Benzimidazo[1,2-a]Quinolines

Directory of Open Access Journals (Sweden)

Grace Karminski-Zamola

2006-08-01

Full Text Available A series of novel benzimidazole derivatives 3-10 were synthesized. Benzimidazolyl-substituted acrylonitriles 3 and 4 underwent a photochemical dehydrocyclization reaction to give the corresponding mono- and dicyano-substituted benzimidazo[1,2-a] quinolines 5 and 6. Pinner reaction of these compounds did not give the expected mono- and diamidines, but rather only compounds 7-10, with amido groups at 6-position were isolated. A mechanism for the reaction is proposed. Acyclic compounds 3 and 4, as well as cyclic benzimidazo[1,2-a]quinolines 5-8, exhibit interesting spectroscopic properties and are potential biologically active compounds.

Trace maps of general substitutional sequences

International Nuclear Information System (INIS)

Kolar, M.; Nori, F.

1990-01-01

It is shown that for arbitrary n, there exists a trace map for any n-letter substitutional sequence. Trace maps are explicitly obtained for the well-known circle and Rudin-Shapiro sequences which can be defined by means of substitution rules on three and four letters, respectively. The properties of the two trace maps and their consequences for various spectral properties are briefly discussed

Substituted decision making: elder guardianship.

Science.gov (United States)

Leatherman, Martha E; Goethe, Katherine E

2009-11-01

The goal of this column is to help experienced clinicians navigate the judicial system when they are confronted with requests for capacity evaluations that involve guardianship (conservatorship). The interface between the growing elderly medical population and increasing requests for substituted decision making is becoming more complex. This column will help practicing psychiatrists understand the medical, legal, and societal factors involved in adult guardianship. Such understanding is necessary in order to effectively perform guardianship evaluations and adequately inform courts, patients, and families about the psychiatric diagnoses central to substituted decision making.

Substitute energy resource policy in Japan

International Nuclear Information System (INIS)

Umehara, Katsuhiko

1980-01-01

Japan depends 88% of energy resources and 99.8% of petroleum on imports. The solution of energy problems is now made internationally. As the means for Japan, there are the substitution of other resources for petroleum and its promotion. However, this involves the considerable funds for the development and utilization, which must be borne by the people in the form of tax. For governmental financing, a special account must be set up for the particular purpose. In the research and development of new energy resources, new institution is required. The following matters are described: petroleum shortage coming even in 1980s, the international need of substitute energy development, the need for establishing measures for substitute energy resources, acquisition of the funds, special-account governmental financing, and an institute of new energy development. (author)

Multisensory integration, sensory substitution and visual rehabilitation

DEFF Research Database (Denmark)

Proulx, Michael J; Ptito, Maurice; Amedi, Amir

2014-01-01

Sensory substitution has advanced remarkably over the past 35 years since first introduced to the scientific literature by Paul Bach-y-Rita. In this issue dedicated to his memory, we describe a collection of reviews that assess the current state of neuroscience research on sensory substitution...

Constructing HVS-Based Optimal Substitution Matrix Using Enhanced Differential Evolution

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Shu-Fen Tu

2013-01-01

Full Text Available Least significant bit (LSB substitution is a method of information hiding. The secret message is embedded into the last k bits of a cover-image in order to evade the notice of hackers. The security and stego-image quality are two main limitations of the LSB substitution method. Therefore, some researchers have proposed an LSB substitution matrix to address these two issues. Finding the optimal LSB substitution matrix can be conceptualized as a problem of combinatorial optimization. In this paper, we adopt a different heuristic method based on other researchers’ method, called enhanced differential evolution (EDE, to construct an optimal LSB substitution matrix. Differing from other researchers, we adopt an HVS-based measurement as a fitness function and embed the secret by modifying the pixel to a closest value rather than simply substituting the LSBs. Our scheme extracts the secret by modular operations as simple LSB substitution does. The experimental results show that the proposed embedding algorithm indeed improves imperceptibility of stego-images substantially.

DOES CURRENCY SUBSTITUTION AFFECT EXCHANGE RATE VOLATILITY?

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Hisao Kumamoto

2014-10-01

Full Text Available This study investigates the impacts of the degree of currency substitution on nominal exchange rate volatility in seven countries (Indonesia, the Philippines, the Czech Republic, Hungary, Poland, Argentina, and Peru. We use the Threshold ARCH model to consider the ratchet effect of currency substitution and sample periods in the 2000s, during which time the economies of the sample countries stabilized, while the U.S. dollar and euro depreciated against other major currencies following the recent global financial crisis. The presented empirical analyses show that the degree of currency substitution has significant positive effects on the conditional variance of the depreciation rate of the nominal exchange rate in most sample countries. Moreover, a shock to the depreciation rate of the nominal exchange rate has asymmetric effects on the conditional variance, depending on the sign. One possible explanation for these differential effects is the existence of the ratchet effect of currency substitution.

The role of biomass in US industrial interfuel substitution

International Nuclear Information System (INIS)

Jones, Clifton T.

2014-01-01

The role of biomass in US industrial interfuel substitution in the industrial sector has typically been analyzed using data for the four traditional fuels of coal, oil, electricity and natural gas. However, the use of biomass as an industrial fuel in the US has grown, and now exceeds that of coal. Using data from 1960 to 2011, interfuel substitution in the US industrial sector is modeled with a dynamic linear logit model which includes biomass alongside the other four traditional fuels. Adding biomass to the model reduces somewhat the estimated own-price and cross-price elasticities for the other four fuels, while revealing that biomass and natural gas are substitute fuels. This implies that previous studies excluding biomass may have overestimated the potential for interfuel substitution, giving policy makers an inaccurate impression of the ability of carbon taxes or other environmental regulation to reduce greenhouse gas (GHG) emissions. - Highlights: • Biomass usage by the US industrial sector now exceeds coal usage. • Previous interfuel substitution studies have not included biomass as a fuel. • Linear logit model is used to examine role of biomass in interfuel substitution. • Including biomass in the model lowers estimated price elasticities for traditional fuels. • Biomass is found to be a substitute for natural gas for industrial users

Effect of substitution groups in carbon-13 NMR of tri-substituted camphors; Efeitos de substituintes em RMN de carbono-13 de canforas 3-substituidas

Energy Technology Data Exchange (ETDEWEB)

Kaiser, Carlos R; Rittner, Roberto [Universidade Estadual de Campinas, SP (Brazil). Inst. de Quimica; Basso, Ernani A [Universidade Estadual de Maringa, PR (Brazil). Dept. de Quimica Inorganica

1994-12-31

This work presents and discusses the empirical effects of substitution groups in the carbon-13 NMR spectra of tri-substituted camphors and their correlation with the chemical properties of such substitution groups such as electronegativity. The obtained results are presented and discussed

21 CFR 184.1259 - Cocoa butter substitute.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Cocoa butter substitute. 184.1259 Section 184.1259... FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS § 184.1259 Cocoa butter substitute. (a) The common or...

40 CFR 721.562 - Substituted alkylamine salt.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Substituted alkylamine salt. 721.562 Section 721.562 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.562 Substituted alkylamine salt...

Law of substitution for mixed arrays

International Nuclear Information System (INIS)

Koudelka, A.J.

1987-01-01

The nuclear safety justification of a mixed array of dissimilar fissile units of metal units and dilute solution units, according to Clayton, has been a persistent and nagging problem. Dissimilar uranium metal or dissimilar uranium solution units in a mixed array can also create a modeling nightmare for the nuclear criticality safety engineer. Now, a calculational method known as the Law of Substitution has been developed to ensure that the k/sub eff/ of an array of uranium metal and uranium solution units will satisfy any k/sub eff/ limit set by the nuclear safety engineer. The nuclear criticality safety engineer can utilize the Law of Substitution to safely mix or substitute different uranium metal units, different uranium solution units, and more importantly, uranium metal and dilute UO 2 solution units in an array. The Law of Substitution is as follows: (1) calculate the k/sub eff/ of each unit type in its own infinite planar array. (2) Determine the edge-to-edge spacing of the infinite planar array of each type of unit to satisfy a desired k/sub eff/. (3) Select the largest edge-to-edge spacing from among the similar units in their infinite planar arrays and use that spacing for the finite or infinite planar array of mixed units

Influence of substitution on the proton donor and proton acceptor abilities of molecules. III. Study of chlorine and ftorine substitution alcohol

International Nuclear Information System (INIS)

Nurulloev, M.; Narziev, B.N.; Islomov, Z.; Fayzieva, M.

2006-01-01

This work gives the study of influence of chlorine and ftorine atoms as substitutions to proton donor and proton acceptor ability of primary, secondary and tertiary alifatic alcohol. In accordance to developed method the proton donor ability of studied substances are determined. It is shown that the quantity of proton donor ability of reactionary center of the molecules depend on substitution nature and its proton acceptor quantity. Proposed that substitution influence of these molecule mainly transferred by inductive effect

[Contingency management in opioid substitution treatment].

Science.gov (United States)

Specka, M; Böning, A; Scherbaum, N

2011-07-01

The majority of opiate-dependent patients in substitution treatment show additional substance-related disorders. Concomitant use of heroin, alcohol, benzodiazepines or cocaine compromises treatment success. Concomitant drug use may be treated by using contingency management (CM) which is based on learning theory. In CM, abstinence from drugs, as verified by drug screenings, is reinforced directly and contingently. Reinforcers used in CM studies with substituted patients were, amongst others, vouchers and take-home privileges. Studies in the USA show a medium average effect of CM on drug consumption rates and abstinence. The effects decrease markedly after the end of the intervention. We discuss whether CM is applicable within the German substitution treatment system and how it can be combined with other interventions such as selective detoxification treatments or cognitive-behavioural programmes. © Georg Thieme Verlag KG Stuttgart · New York.

Substitution between Cars within the Household

DEFF Research Database (Denmark)

de Borger, Bruno; Mulalic, Ismir; Rouwendal, Jan

In this paper we study the demand for car kilometres in two-car households, focusing on the substitution between cars in response to fuel price changes. We use a large sample of detailed Danish data on two-car households to estimate—for each car owned by the household—own and cross-price effects...... of increases in fuel costs per kilometre. The empirical results show that failure to capture substitution between cars within the household can result in substantial misspecification biases. Ignoring substitution, we estimate fuel price elasticities of –0.81 and -0.65 for the primary and secondary cars...... efficient car, finding partial support for the underlying hypothesis. More importantly, the results of this extended model emphasize the importance of behavioural differences related to the position of the most fuel efficient car in the household, suggesting that households’ fuel efficiency choices...

Substitution as a Device of Grammatical Cohesion in English Contexts

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Mohammad Reza Hasannejad

2012-05-01

Full Text Available The present study set out to investigate the effect of teaching substitution as a kind of grammatical cohesion on the true identification of confusing substitution elements with cohesive or non-cohesive roles in different contexts and also the production of modal, reporting and conditional contexts through clausal substitution acquaintance. To this end, the following procedures were taken. First 120 male and female EFL students were selected from Iranshahr Azad University. Having administered the language proficiency test, researchers selected 80 students as intermediate subjects according to their TOEFL band scores. First, pretests of cohesion identification (substitution and production of modal, reporting and conditional environments were administered to both control and experimental groups. Then, the experimental group was exposed to the teaching of the above-said above-mentioned cohesive device. Finally, post-tests of substitution elements’ identification and modal, reporting and conditional contexts’ production through clausal substitution familiarity were administered. The results showed that cohesive device treatment helped students on the true identification of substitution elements. Another finding proved that EFL students might have no difficulty in learning certain rules or classification of rules and application of their clausal substitution knowledge in creating modal, reporting and conditional contexts. Our findings can have implications for the field of language learning and teaching.

Associations between generic substitution and patient-related factors

DEFF Research Database (Denmark)

Østergaard Rathe, Jette

Associations between generic substitution and patient-related factors Jette Østergaard Rathe1, Pia V. Larsen1, Morten Andersen2, Janus L. Thomsen3, Maja S. Paulsen1, Jens Søndergaard1 1. Research Unit of General Practice, Institute of Public Health, University of Southern Denmark 2. Centre...... for Pharmacoepidemiology, Karolinska Institutet, Department of Medicine Solna, Stockholm, Sweden 3. Danish Quality Unit of General Practice, Odense, Denmark Background Generic substitution means that chemically equivalent but less expensive drugs are dispensed in place of a brand name product. Although generic medicines...... by definition are bioequivalent to their brand name counterparts there are concerns about whether generic substitution is always accompanied by clinical equivalence in terms of effectiveness and that it may cause concerns and thereby causing some skepticism towards generic substitution. There is, however...

Co-oligomers Based on 2-Methoxy, 5-(2’-ethylhexyloxy phenylene and Thienylenevinylene for Organic Solar Cells

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A. El Alamy

2016-07-01

Full Text Available Thanks to their optoelectronic properties and specific applications such as organic solar cells, the research on the lower band gap of organic p-conjugated materials encompassing both polymers and oligomers have been widely studied over the last years. The control of the band gap of these materials is a research issue of ongoing interest. In this study, theoretical study using the DFT method on four oligomers based on 2-methoxy, 5-(2’-ethylhexyloxy phenylene and thienylenevinylene is reported. The theoretical ground-state geometry and electronic structure of the studied molecules were obtained by the DFT method at the B3LYP level with a 6–31G (d basis set. Theoretical knowledge of the highest occupied molecular orbital (HOMO, the lowest unoccupied molecular orbital (LUMO energy levels the gap energy (Eg and the open-circuit voltage (Voc of the studied compounds are calculated and discussed. The results of this work suggest these materials as a good candidate for organic solar cells.  DOI: http://dx.doi.org/10.17807/orbital.v8i3.800

Effect of CoFe magnetic nanoparticles on the hole transport in poly(2-methoxy, 5-(2-ethylhexiloxy) 1,4-phenylenevinylene)

International Nuclear Information System (INIS)

Kumar, Pankaj; Kumar, Hemant; Chand, Suresh; Jain, S C; Kumar, Vikram; Kumar, Vinod; Pant, R P; Tandon, R P

2008-01-01

The effect of doping of CoFe magnetic nanoparticles (MNPs) on the hole transport in poly(2-methoxy,5-(2-ethylhexyloxy)-1,4-phenylenevinylene)(MEH-PPV) thin films has been investigated in the temperature range 280-120 K. Hole transport in MEH-PPV is found to be governed by space-charge-limited-conduction (SCLC) with exponential distribution of traps in energy space. Doping of CoFe MNPs in MEH-PPV reduces the hole mobility from 1 x 10 -5 to 6 x 10 -6 cm 2 V -1 s -1 by introducing new trap sites causing their net density increase from 1 x 10 18 to 2.1 x 10 18 cm -3 , which is likely to result in balanced injection and efficient recombination of charge carriers to improve the performance of polymer light emitting diodes

Long term substitution treatment (maintenance treatment of opioid dependent persons

Directory of Open Access Journals (Sweden)

Wirl, Charlotte

2007-03-01

Full Text Available Health political background: Methadone substitution treatment in Germany is introduced in 1988 in the framework of a scientific pilot study in North Rhein Westphalia. Recent statistics show that by now a broad offer of substitution treatment exists. From 1 June 2002 to 31 December 2003 113,000 substitution treatments have been recorded as being started of which around 56,000 have been recorded as ongoing treatments by 1 December 2003. Scientific background: Substitution treatment (treatment of opioid-dependent persons using substitution substances is one part of addiction treatment. Its goals are harm reduction and the stabilisation of opioid dependent persons. Integration of opioid-dependent persons in a treatment-setting, reduction of consumption of psychoactive substances, reduction of risk behaviour (primarily related to infectious diseases, decrease of mortality and improvements concerning the social, psychic and physic situation are seen as a success of substitution treatment as maintenance therapy. Research questions: The aim of this HTA report is to investigate which indicators can be used to evaluate the effectiveness of substitution treatment. Based on these indicators an evaluation of the medical, social and economical benefit of substitution treatment - also in relation to abstinence oriented treatment - is carried out. Methods: A systematic literature search was performed in 31 international databases which yielded 2451 articles with publication date between 1995 and February 2005. Results: After a twofold selection process 32 publications were included for assessment and 276 publications were used as background literature. Despite serious restrictions due to selection bias and dropout in most studies focusing on substitution treatment, reduction of consumption of illegal opioids, reduction of risk behaviour, criminal behaviour, mortality and incidence of HIV can be seen as an empirically proven success of substitution treatment

X-ray sensitization of chromatids with unifilarly and bifilarly substituted DNA

International Nuclear Information System (INIS)

Wolff, S.

1981-01-01

When cells are grown for two rounds of DNA replication in the presence of the thymidine analogue 5-bromodeoxyuridine, chromosomes containing one chromatid with unifilarly substituted DNA and one with bifilarly substituted DNA are found. These can be distinguished by harlequin staining techniques that stain one chromatid dark and one light. When the degree of substitution is 60% or greater, 3 times as many X-ray-induced chromatid breaks are produced as in unsubstituted chromatids. This represents maximal sensitization. The unifilarly substituted (dark) chromatid is as sensitive as its bifilarly substituted (light) sister chromatid. If cells are grown in low concentrations of 5-bromodeoxyuridine (BrdUrd), then the amount of substitution is less and the bifilarly substituted chromatic is more sensitive than the unifilarly substituted one. When large numbers of cells are grown in very low concentrations of BrdUrd, the analogue is almost completely depleted during the first round of replication leading to harlequin chromosomes containing one unsubstituted (dark) and one unifilarly substituted (light) chromatid. Under these conditions a maximal sensitization between light-staining and dark-staining chromatids can occur. This can be confused with the differential sensitivity between unifilarly and bifilarly substituted chromatids. The apparent discrepant results obtained by different investigators are most likely caused by the use of very low levels of BrdUrd in some of the experiments. (orig.)

[Currently available skin substitutes].

Science.gov (United States)

Oravcová, Darina; Koller, Ján

2014-01-01

The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. Autologous split or full-thickness skin graft are the best definitive burn wound coverage, but it is constrained by the limited available sources, especially in major burns. Donor site morbidities in term of additional wounds and scarring are also of concern of the autograft application. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. This paper reviews currently available skin substitutes, produced in not for-profit skin banks as well as commercially available. They are divided according to type of material included, as biological, biosynthetic and synthetic and named respectively.

Evaluating rare amino acid substitutions (RGC_CAMs in a yeast model clade.

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Kenneth Polzin

Full Text Available When inferring phylogenetic relationships, not all sites in a sequence alignment are equally informative. One recently proposed approach that takes advantage of this inequality relies on sites that contain amino acids whose replacement requires multiple substitutions. Identifying these so-called RGC_CAM substitutions (after Rare Genomic Changes as Conserved Amino acids-Multiple substitutions requires that, first, at any given site in the amino acid sequence alignment, there must be a minimum of two different amino acids; second, each amino acid must be present in at least two taxa; and third, the amino acids must require a minimum of two nucleotide substitutions to replace each other. Although theory suggests that RGC_CAM substitutions are expected to be rare and less likely to be homoplastic, the informativeness of RGC_CAM substitutions has not been extensively evaluated in biological data sets. We investigated the quality of RGC_CAM substitutions by examining their degree of homoplasy and internode certainty in nearly 2.7 million aligned amino acid sites from 5,261 proteins from five species belonging to the yeast Saccharomyces sensu stricto clade whose phylogeny is well-established. We identified 2,647 sites containing RGC_CAM substitutions, a number that contrasts sharply with the 100,887 sites containing RGC_non-CAM substitutions (i.e., changes between amino acids that require only a single nucleotide substitution. We found that RGC_CAM substitutions had significantly lower homoplasy than RGC_non-CAM ones; specifically RGC_CAM substitutions showed a per-site average homoplasy index of 0.100, whereas RGC_non-CAM substitutions had a homoplasy index of 0.215. Internode certainty values were also higher for sites containing RGC_CAM substitutions than for RGC_non-CAM ones. These results suggest that RGC_CAM substitutions possess a strong phylogenetic signal and are useful markers for phylogenetic inference despite their rarity.

Eosin-sensitized photooxidation of substituted phenylalanines and tyrosines

Energy Technology Data Exchange (ETDEWEB)

Rizzuto, F.; Spikes, J.D.

1977-01-01

The cosin-sensitized photooxidation of tyrosine and a number of compounds related to tyrosine (substituted phenylalanines) was studied by steady-state kinetic and flash photolysis techniques. In particular, the role of the phenolic group and the amino and carboxyl groups of the alanyl side chain in the photooxidation mechanism was investigated in detail. Several relationships between substrate structure and susceptibility to photooxidation as well as effects of substrate structure on photooxidation mechanisms were found. For example, phenylalanine is not photooxidizable, but substitution of electron-donating (activating) groups such as -OH (as in tyrosine) or -NH/sub 2/ (as in p-aminophenylalanine) results in rapidly photooxidized derivatives. However, substituting deactivating groups such as -Cl (as in p-chlorophenylalanine) or weakly activating groups such as -OCH/sub 3/ (as in 4-methoxyphenylalanine) result in non-photooxidizable derivatives. Substitution of additional activating groups to the ring of hydroxy-substituted phenylalanines results in increased rates of photooxidation, whereas additional deactivating groups result in decreased photooxidation rates. The rate-determining step in the photooxidation mechanism is shown to be dependent on the presence and position of an electron-donating substituent on the benzenoid ring. Only minor involvement of the side chain amino and carboxyl groups was found. Both singlet oxygen and hydrogen abstraction mechanisms are involved in the eosin-sensitized photooxidation of hydroxy-substituted phenylalanines (e.g., tyrosine). The hydrogen abstraction mechanism probably predominates at both pH 8 and 11.

Anthropogenic areas as incidental substitutes for original habitat.

Science.gov (United States)

Martínez-Abraín, Alejandro; Jiménez, Juan

2016-06-01

One speaks of ecological substitutes when an introduced species performs, to some extent, the ecosystem function of an extirpated native species. We suggest that a similar case exists for habitats. Species evolve within ecosystems, but habitats can be destroyed or modified by natural and human-made causes. Sometimes habitat alteration forces animals to move to or remain in a suboptimal habitat type. In that case, the habitat is considered a refuge, and the species is called a refugee. Typically refugee species have lower population growth rates than in their original habitats. Human action may lead to the unintended generation of artificial or semiartificial habitat types that functionally resemble the essential features of the original habitat and thus allow a population growth rate of the same magnitude or higher than in the original habitat. We call such areas substitution habitats and define them as human-made habitats within the focal species range that by chance are partial substitutes for the species' original habitat. We call species occupying a substitution habitat adopted species. These are 2 new terms in conservation biology. Examples of substitution habitats are dams for European otters, wheat and rice fields for many steppeland and aquatic birds, and urban areas for storks, falcons, and swifts. Although substitution habitats can bring about increased resilience against the agents of global change, the conservation of original habitat types remains a conservation priority. © 2016 Society for Conservation Biology.

N-substituted iminodiacetic acids

International Nuclear Information System (INIS)

Nunn, A.; Loberg, M.

1982-01-01

The chemical preparation of several new N-substituted iminodiacetic acid derivatives are described. These compounds when complexed with sup(99m)Tc provide useful radiopharmaceuticals for the external imaging of the hepatobiliary system. (U.K.)

Photophysical investigation of cyano-substituted terrylenediimide derivatives.

Science.gov (United States)

Kennes, Koen; Baeten, Yannick; Vosch, Tom; Sempels, Wouter; Yordanov, Stoyan; Stappert, Sebastian; Chen, Long; Müllen, Klaus; Hofkens, Johan; Van der Auweraer, Mark; Fron, Eduard

2014-12-18

Two new terrylenediimide (TDI) chromophores with cyano substituents in the bay and core area (BCN-TDI and OCN-TDI, respectively) have been characterized by a wide range of techniques, and their applicability for stimulated emission depletion (STED) microscopy has been tested. By cyano substitution an increase of the fluorescence quantum yield and a decrease of the nonradiative rate constant is achieved and attributed to a reduced charge-transfer character of the excited state due to a lower electron density of the TDI core. For BCN-TDI, the substitution in the bay area induces a strong torsional twist in the molecule which, similar to phenoxy bay-perylenediimide (PDI), has a strong effect on the fluorescence lifetime but appears to prevent the aggregation that is observed for OCN-TDI. The single-molecule photobleaching stability of BCN- and OCN-TDI is lower than that of a reference TDI without cyano substitution (C7-TDI), although less so for OCN-TDI. The photophysical properties of the excited singlet state are only slightly influenced by the cyano groups. The observed intense stimulated emission, the pump-dump-probe experiments, and STED single-molecule imaging indicate that STED experiments with the cyano-substituted TDIs are possible. However, because of aggregation and more efficient photobleaching, the performance of BCN- and OCN-TDI is worse than that of the reference compound without cyano groups (C7-TDI). Bay-substituted TDIs are less suitable for STED microscopy.

Substitute fluid examinations for liquid manure

Directory of Open Access Journals (Sweden)

Schrader Kevin

2017-01-01

Full Text Available For the farming industry it is essential to use liquid manure as natural fertilizer. Through new agricultural regulation 2015 in Germany the industry must develop new liquid manure spreader systems because the ammonia and methane emission are limited. In a research project the University of Applied Sciences Zwickau and some other industry partners will develop such a new innovative liquid manure spreader. The new liquid manure spreader should use pulsating air to distribute the liquid manure exactly. The pulsating air, which flows through the pipelines, should be analysed at a test station. For examinations at this test station it is important to find another substitute fluid because liquid manure smells strong, is not transparent and is also not homogeneous enough for scientific investigations. Furthermore it is important to ensure that the substitute fluid is, like liquid manure, a non-Newtonian fluid. The substitute fluid must be a shear-thinning substance - this means the viscosity decrease at higher shear rate. Many different samples like soap-water-farragoes, jelly-water-farragoes, agar-water-farragoes, soap-ethanol-farragoes and more are, for the project, examined in regard of their physical properties to find the best substitute fluid. The samples are examined at the rotational viscometer for viscosity at various shear rates and then compared with the viscosity values of liquid manure.

Substitute fluid examinations for liquid manure

Science.gov (United States)

Schrader, Kevin; Riedel, Marco; Eichert, Helmut

For the farming industry it is essential to use liquid manure as natural fertilizer. Through new agricultural regulation 2015 in Germany the industry must develop new liquid manure spreader systems because the ammonia and methane emission are limited. In a research project the University of Applied Sciences Zwickau and some other industry partners will develop such a new innovative liquid manure spreader. The new liquid manure spreader should use pulsating air to distribute the liquid manure exactly. The pulsating air, which flows through the pipelines, should be analysed at a test station. For examinations at this test station it is important to find another substitute fluid because liquid manure smells strong, is not transparent and is also not homogeneous enough for scientific investigations. Furthermore it is important to ensure that the substitute fluid is, like liquid manure, a non-Newtonian fluid. The substitute fluid must be a shear-thinning substance - this means the viscosity decrease at higher shear rate. Many different samples like soap-water-farragoes, jelly-water-farragoes, agar-water-farragoes, soap-ethanol-farragoes and more are, for the project, examined in regard of their physical properties to find the best substitute fluid. The samples are examined at the rotational viscometer for viscosity at various shear rates and then compared with the viscosity values of liquid manure.

Endogenous cueing attenuates object substitution masking.

Science.gov (United States)

Germeys, Filip; Pomianowska, I; De Graef, P; Zaenen, P; Verfaillie, K

2010-07-01

Object substitution masking (OSM) is a form of visual masking in which a briefly presented target surrounded by four small dots is masked by the continuing presence of the four dots after target offset. A major parameter in the prediction of OSM is the time required for attention to be directed to the target following its onset. Object substitution theory (Di Lollo et al. in J Exp Psychol Gen 129:481-507, 2000) predicts that the sooner attention can be focused at the target's location, the less masking will ensue. However, recently Luiga and Bachmann (Psychol Res 71:634-640, 2007) presented evidence that precueing of attention to the target location prior to target-plus-mask onset by means of a central (endogenous) arrow cue does not reduce OSM. When attention was cued exogenously, OSM was attenuated. Based on these results, Luiga and Bachmann argued that object substitution theory should be adapted by differentiating the ways of directing attention to the target location. The goal of the present study was to further examine the dissociation between the effects of endogenous and exogenous precueing on OSM. Contrary to Luiga and Bachmann, our results show that prior shifts of attention to the target location initiated by both exogenous and endogenous cues reduce OSM as predicted by object substitution theory and its computational model CMOS.

Hazardous solvent substitution

International Nuclear Information System (INIS)

Twitchell, K.E.

1995-01-01

This article is an overview of efforts at INEL to reduce the generation of hazardous wastes through the elimination of hazardous solvents. To aid in their efforts, a number of databases have been developed and will become a part of an Integrated Solvent Substitution Data System. This latter data system will be accessible through Internet

Fat substitutes in processing of sausages using piramutaba waste.

Science.gov (United States)

de Fátima Henriques Lourenço, Lúcia; Dos Santos Galvão, Giane Célia; da Conceição Amaral Ribeiro, Suezilde; de Fátima Amaral Ribeiro, Carmelita; Park, Kil Jin

2014-07-01

The aim of this study was to evaluate fat substitute in processing of sausages prepared with surimi of waste from piramutaba filleting. The formulation ingredients were mixed with the fat substitutes added according to a fractional planning 2(4-1), where the independent variables, manioc starch (Ms), hydrogenated soy fat (F), texturized soybean protein (Tsp) and carrageenan (Cg) were evaluated on the responses of pH, texture (Tx), raw batter stability (RBS) and water holding capacity (WHC) of the sausage. Fat substitutes were evaluated in 11 formulations and the results showed that the greatest effects on the responses were found to Ms, F and Cg, being eliminated from the formulation Tsp. To find the best formulation for processing piramutaba sausage was made a complete factorial planning of 2(3) to evaluate the concentrations of fat substitutes in an enlarged range. The optimum condition found for fat substitutes in the sausages formulation were carrageenan (0.51%), manioc starch (1.45%) and fat (1.2%).

Substitution treatment for opioid addicts in Germany

Directory of Open Access Journals (Sweden)

Gerlach Ralf

2007-02-01

Full Text Available Abstract Background After a long and controversial debate methadone maintenance treatment (MMT was first introduced in Germany in 1987. The number of patients in MMT – first low because of strict admission criteria – increased considerably since the 1990s up to some 65,000 at the end of 2006. In Germany each general practitioner (GP, who has completed an additional training in addiction medicine, is allowed to prescribe substitution drugs to opioid dependent patients. Currently 2,700 GPs prescribe substitution drugs. Psychosocial care should be made available to all MMT patients. Results The results of research studies and practical experiences clearly indicate that patients benefit substantially from MMT with improvements in physical and psychological health. MMT proves successful in attaining high retention rates (65 % to 85 % in the first years, up to 50 % after more than seven years and plays a major role in accessing and maintaining ongoing medical treatment for HIV and hepatitis. MMT is also seen as a vital factor in the process of social re-integration and it contributes to the reduction of drug related harms such as mortality and morbidity and to the prevention of infectious diseases. Some 10 % of MMT patients become drug-free in the long run. Methadone is the most commonly prescribed substitution medication in Germany, although buprenorphine is attaining rising importance. Access to MMT in rural areas is very patchy and still constitutes a problem. There are only few employment opportunities for patients participating in MMT, although regular employment is considered unanimously as a positive factor of treatment success. Substitution treatment in German prisons is heterogeneous in access and treatment modalities. Access is very patchy and the number of inmates in treatment is limited. Nevertheless, substitution treatment plays a substantial part in the health care system provided to drug users in Germany. Conclusion In Germany, a

Substitution treatment for opioid addicts in Germany.

Science.gov (United States)

Michels, Ingo Ilja; Stöver, Heino; Gerlach, Ralf

2007-02-02

After a long and controversial debate methadone maintenance treatment (MMT) was first introduced in Germany in 1987. The number of patients in MMT--first low because of strict admission criteria--increased considerably since the 1990s up to some 65,000 at the end of 2006. In Germany each general practitioner (GP), who has completed an additional training in addiction medicine, is allowed to prescribe substitution drugs to opioid dependent patients. Currently 2,700 GPs prescribe substitution drugs. Psychosocial care should be made available to all MMT patients. The results of research studies and practical experiences clearly indicate that patients benefit substantially from MMT with improvements in physical and psychological health. MMT proves successful in attaining high retention rates (65% to 85% in the first years, up to 50% after more than seven years) and plays a major role in accessing and maintaining ongoing medical treatment for HIV and hepatitis. MMT is also seen as a vital factor in the process of social re-integration and it contributes to the reduction of drug related harms such as mortality and morbidity and to the prevention of infectious diseases. Some 10% of MMT patients become drug-free in the long run. Methadone is the most commonly prescribed substitution medication in Germany, although buprenorphine is attaining rising importance. Access to MMT in rural areas is very patchy and still constitutes a problem. There are only few employment opportunities for patients participating in MMT, although regular employment is considered unanimously as a positive factor of treatment success. Substitution treatment in German prisons is heterogeneous in access and treatment modalities. Access is very patchy and the number of inmates in treatment is limited. Nevertheless, substitution treatment plays a substantial part in the health care system provided to drug users in Germany. In Germany, a history of substitution treatment spanning 20 years has meanwhile

6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate

Directory of Open Access Journals (Sweden)

James L. Wardell

2012-03-01

Full Text Available In the title α-D-glucopyranoside derivative, C28H30O10S2, each heterocyclic ring adopts a chair conformation. In the trisubstituted ring, the methoxy and one sulfonate group occupy axial positions, whereas the second sulfonate group occupies an axial position. The phenyl group on the other ring is in an equatorial position. In the crystal, supramolecular chains propagating along [100] are formed through C—H...O and C—H...π interactions.

α and β deuterium isotope effects in the hydrolysis of naphthalene tetrahydro epoxides: rate-limiting hydrogen migration in the spontaneous hydrolysis of 6-methoxy-1,2,3,4-tetrahydronaphthalene oxide

International Nuclear Information System (INIS)

Gillilan, R.E.; Pohl, T.M.; Whalen, D.L.

1982-01-01

Data are reported that indicate that 6-methoxy-1,2,3-tetrahydronaphthalene oxide undergoes a spontaneous reaction to yield mostly 6-methyoxy-2-tetralone. Hydrogen-migration is reported to be the rate determining step in the reaction. Reaction mechanisms involving a one-step reaction with a concurrent C-O bond cleavage and hydrogen migration or reversible C-O bond cleavage followed by the rate-limiting hydrogen migration are proposed, but no clear distinction between the schemes is made

Perron-Frobenius theory and frequency convergence for reducible substitutions

OpenAIRE

Lustig, Martin; Uyanik, Caglar

2016-01-01

We prove a general version of the classical Perron-Frobenius convergence property for reducible matrices. We then apply this result to reducible substitutions and use it to produce limit frequencies for factors and hence invariant measures on the associated subshift. The analogous results are well known for primitive substitutions and have found many applications, but for reducible substitutions the tools provided here were so far missing from the theory.

Product portfolio optimization based on substitution

DEFF Research Database (Denmark)

Myrodia, Anna; Moseley, A.; Hvam, Lars

2017-01-01

The development of production capabilities has led to proliferation of the product variety offered to the customer. Yet this fact does not directly imply increase of manufacturers' profitability, nor customers' satisfaction. Consequently, recent research focuses on portfolio optimization through...... substitution and standardization techniques. However when re-defining the strategic market decisions are characterized by uncertainty due to several parameters. In this study, by using a GAMS optimization model we present a method for supporting strategic decisions on substitution, by quantifying the impact...

Currency Substitution and Inflation in Peru

OpenAIRE

Liliana Rojas-Suárez

1992-01-01

This paper shows that there is a long-run relationship between the expected rate of depreciation in the black-market-exchange rate and the ratio of domestic to foreign money in Peru; that is, the hypothesis of currency substitution can explain the behavior of real holdings of money in Peru. The paper also shows that, while the importance of currency substitution as a transmission mechanism through which domestic policies affected the dynamics of inflation was relatively small during a period ...

Secretion of wound healing mediators by single and bi-layer skin substitutes.

Science.gov (United States)

Maarof, Manira; Law, Jia Xian; Chowdhury, Shiplu Roy; Khairoji, Khairul Anuar; Saim, Aminuddin Bin; Idrus, Ruszymah Bt Hj

2016-10-01

Limitations of current treatments for skin loss caused by major injuries leads to the use of skin substitutes. It is assumed that secretion of wound healing mediators by these skin substitutes plays a role in treating skin loss. In our previous study, single layer keratinocytes (SK), single layer fibroblast (SF) and bilayer (BL; containing keratinocytes and fibroblasts layers) skin substitutes were fabricated using fibrin that had shown potential to heal wounds in preclinical studies. This study aimed to quantify the secretion of wound healing mediators, and compare between single and bi-layer skin substitutes. Skin samples were digested to harvest fibroblasts and keratinocytes, and expanded to obtain sufficient cells for the construction of skin substitutes. Acellular fibrin (AF) construct was used as control. Substitutes i.e. AF, SK, SF and BL were cultured for 2 days, and culture supernatant was collected to analyze secretion of wound healing mediators via multiplex ELISA. Among 19 wound healing mediators tested, BL substitute secreted significantly higher amounts of CXCL1 and GCSF compared to SF and AF substitute but this was not significant with respect to SK substitute. The BL substitute also secreted significantly higher amounts of CXCL5 and IL-6 compared to other substitutes. In contrast, the SK substitute secreted significantly higher amounts of VCAM-1 compared to other substitutes. However, all three skin substitutes also secreted CCL2, CCL5, CCL11, GM-CSF, IL8, IL-1α, TNF-α, ICAM-1, FGF-β, TGF-β, HGF, VEGF-α and PDGF-BB factors, but no significant difference was seen. Secretion of these mediators after transplantation may play a significant role in promoting wound healing process for the treatment of skin loss.

Substitute equations for index reduction and discontinuity handling

NARCIS (Netherlands)

Fabian, G.; Beek, van D.A.; Rooda, J.E.

2000-01-01

Several techniques exist for index reduction and consistent initialization of higher index DAEs. Many such techniques change the original set of equations by differentiation, substitution, and/or introduction of new variables. This paper introduces substitute equations as a new language element. By

Thermal stability of substitutional ag in CdTe

NARCIS (Netherlands)

Jahn, SG; Hofsass, H; Restle, M; Ronning, C; Quintel, H; BharuthRam, K; Wahl, U

The thermal stability of substitutional Ag in CdTe was deduced from lattice location measurements at different temperatures. Substitutional Ag probe atoms were generated via transmutation doping from radioactive Cd isotopes. The lattice sites of Ag isotopes were determined by measuring the

MOLECULAR THERMODYNAMICS IN THE DESIGN OF SUBSTITUTE SOLVENTS

Science.gov (United States)

The use of physical properties and fluid behavior from molecular thermodynamics can lead to better decision making in the design of substitute solvents and can greatly reduce the expense and time required to find substitutes compared to designing solvents by experiment. this pape...

Azo polymers with electronical push and pull structures prepared via RAFT polymerization and its photoinduced birefringence behavior

Directory of Open Access Journals (Sweden)

2008-08-01

Full Text Available Two methacrylate monomers containing azo and electronical push and pull structure, e.g. 2-Methyl-acrylic-acid-2-{[4-(4-cyano-phenylazo-3-methyl-phenyl]-ethyl-amino-ethyl ester (MACP with cyano substituted and 2-Methylacrylic-acid-2-{ethyl-[4-(4-methoxy-phenylazo-3-methyl-phenyl]-amino}-ethyl ester (MAMP with methoxy substituted, were synthesized and polymerized using 2-cyanoprop-2-yl dithiobenzoate (CPDB as chain transfer agent and 2,2'-azobisisobutyronitrile (AIBN as initiator. The results showed that the polymerization displayed characteristics of ‘living’/controlled free radical polymerization. Thus, the obtained polymers, polyMACP (pMACP and polyMAMP (pMAMP, had controlled molecular weights and narrow molecular weights distribution. The chain extension experiments of pMACP and pMAMP using styrene as the second monomer were successfully carried out. The photo-induced trans-cis-trans isomerization kinetic of pMACP and pMAMP in chloroform solution were described. Marked differences in rate for the trans-cis and cis-trans isomerization of pMACP and pMAMP were observed in chloroform solution due to the different electronic effects in these two polymers. Photoinduced birefringence and surface relief grating (SRG of the pMACP and pMAMP were investigated in thin film state.

Effects of molecular structure of the resins on the volumetric shrinkage and the mechanical strength of dental restorative composites.

Science.gov (United States)

Kim, L U; Kim, J W; Kim, C K

2006-09-01

To prepare a dental composite that has a low amount of curing shrinkage and excellent mechanical strength, various 2,2-bis[4-(2-hydroxy-3-methacryloyloxy propoxy) phenyl] propane (Bis-GMA) derivatives were synthesized via molecular structure design, and afterward, properties of their mixtures were explored. Bis-GMA derivatives, which were obtained by substituting methyl groups for hydrogen on the phenyl ring in the Bis-GMA, exhibited lower curing shrinkage than Bis-GMA, whereas their viscosities were higher than that of Bis-GMA. Other Bis-GMA derivatives, which contained a glycidyl methacrylate as a molecular end group exhibited reduced curing shrinkage and viscosity. Methoxy substitution for hydroxyl groups on the Bis-GMA derivatives was performed for the further reduction of the viscosity and curing shrinkage. Various resin mixtures, which had the same viscosity as the commercial one, were prepared, and their curing shrinkage was examined. A resin mixture containing 2,2-bis[3,5-dimethyl, 4-(2-methoxy-3-methacryloyloxy propoxy) phenyl] propane] (TMBis-M-GMA) as a base resin and 4-tert-butylphenoxy-2-methyoxypropyl methacrylate (t-BP-M-GMA) as a diluent exhibited the lowest curing shrinkage among them. The composite prepared from this resin mixture also exhibited the lowest curing shrinkage along with enhanced mechanical properties.

Interfuel substitution in the United States

Energy Technology Data Exchange (ETDEWEB)

Serletis, Apostolos; Vasetsky, Olexandr [Department of Economics, University of Calgary, Calgary, Alberta (Canada); Timilsina, Govinda R. [Development Research Group, The World Bank, 1818 H Street N.W., Washington, DC 20433 (United States)

2010-05-15

In this paper, we use the locally flexible translog functional form to investigate the demand for energy and interfuel substitution in the United States and to provide a comparison of our results with most of the existing empirical energy demand literature. Motivated by the widespread practice of ignoring theoretical regularity, we follow Barnett's (2002) suggestions and estimate the model subject to theoretical regularity, using methods developed by Diewert and Wales (1987) and Ryan and Wales (2000), in an attempt to produce inference consistent with neoclassical microeconomic theory. Moreover, we use the most recent data, published by the U.S. Energy Information Administration (EIA), and in addition to investigating interfuel substitution possibilities in total U.S. energy demand, we follow Serletis et al. (2009) and also examine interfuel substitution possibilities in energy demand by sector. Moreover, we test for weak separability, with the objective of discovering the structure of the functional form in total energy demand as well as energy demand by sector. (author)

Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κN2ethane]nickel(II bis(trifluoromethanesulfonate dihydrate

Directory of Open Access Journals (Sweden)

Ganna Lyubartseva

2013-10-01

Full Text Available In the title salt, [Ni(C12H14N6O2](CF3SO32·2H2O, the NiII cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-methoxy-2,2,2-tris(pyrazol-1-ylethane ligands in a distorted octahedral geometry. The Ni—N distances range from 2.0594 (12 to 2.0664 (12 Å, intra-ligand N—Ni—N angles range from 84.59 (5 to 86.06 (5°, and adjacent inter-ligand N—Ni—N angles range between 93.94 (5 and 95.41 (5°. In the crystal, inversion-related pyrazole rings are π–π stacked, with an interplanar spacing of 3.4494 (18 Å, forming chains that propagate parallel to the a-axis direction. Intermolecular O—H...O hydrogen bonds are present between water molecules and trifluoromethanesulfonate anions.

Bicolor Light-Emitting Diode Based on Zinc Oxide Nanorod Arrays and Poly(2-methoxy,5-octoxy)-1,4-phenylenevinylene

Science.gov (United States)

Song, Jizhong; He, Ying; Chen, Jie; Zhu, Di; Pan, Zhaodong; Zhang, Yaofei; Wang, Jun-An

2012-03-01

The current study reports a novel inorganic/organic light-emitting diode (LED), consisting of zinc oxide (ZnO) nanorod arrays and poly(2-methoxy, 5-octoxy)-1,4-phenylenevinylene (MOPPV). ZnO nanorod arrays passivated using polyacrylamide (PAM) with 70 nm diameter were successfully prepared by a simple polymer-assisted chemical method. Enhancement of the ZnO defect emission is caused by PAM passivation, as observed in photoluminescence spectra. Infrared absorption spectra reveal that PAM is chemically or physically adsorbed on the surfaces of ZnO nanorod arrays. The electroluminescence (EL) spectrum shows bluish light at 406 nm from ZnO transition emission, and light emission with center at 600 nm from exciton emission in MOPPV. The potential EL mechanism is electron transition to zinc vacancy in PAM/ZnO nanorod arrays, and exciton radiation luminescence in MOPPV film. This novel PAM/ZnO-MOPPV device may be helpful to promote development of multicolor LEDs.

40 CFR Appendix H to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes, Effective May 28, 1999

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 17 2010-07-01 2010-07-01 false Substitutes Subject to Use Restrictions and Unacceptable Substitutes, Effective May 28, 1999 H Appendix H to Subpart G of Part 82... STRATOSPHERIC OZONE Significant New Alternatives Policy Program Pt. 82, Subpt. G, App. H Appendix H to Subpart G...

Multifaceted Material Substitution: The Case of NdFeB Magnets, 2010-2015

Science.gov (United States)

Smith, Braeton J.; Eggert, Roderick G.

2016-07-01

Substitution is an important response for material users when faced with disruption to the availability or price of an essential material. In economic terms, substitution refers to the ability of firms to alter their patterns of material use in response to exogenous market shocks. Substitution comes in different forms which vary from situation to situation. This paper uses expert opinion to identify the specific forms of substitution that occurred in permanent magnets, specifically neodymium-iron-boron magnets, following the significant increase in rare earth prices in 2010-2011. The paper provides a framework for understanding the multifaceted nature of substitution and assesses the relative importance of five different types of substitution. Technology-for-element, grade-for-grade, and system-for-system substitution appear to have been more important than element-for-element and magnet-for-magnet substitution. Cost pass-through and absorption were also important responses.

Cannabis as a substitute for alcohol and other drugs

Directory of Open Access Journals (Sweden)

Reiman Amanda

2009-12-01

Full Text Available Abstract Background Substitution can be operationalized as the conscious choice to use one drug (legal or illicit instead of, or in conjunction with, another due to issues such as: perceived safety; level of addiction potential; effectiveness in relieving symptoms; access and level of acceptance. This practice of substitution has been observed among individuals using cannabis for medical purposes. This study examined drug and alcohol use, and the occurrence of substitution among medical cannabis patients. Methods Anonymous survey data were collected at the Berkeley Patient's Group (BPG, a medical cannabis dispensary in Berkeley, CA. (N = 350 The sample was 68% male, 54% single, 66% White, mean age was 39; 74% have health insurance (including MediCal, 41% work full time, 81% have completed at least some college, 55% make less than $40,000 a year. Seventy one percent report having a chronic medical condition, 52% use cannabis for a pain related condition, 75% use cannabis for a mental health issue. Results Fifty three percent of the sample currently drinks alcohol, 2.6 was the average number of drinking days per week, 2.9 was the average number of drinks on a drinking occasion. One quarter currently uses tobacco, 9.5 is the average number of cigarettes smoked daily. Eleven percent have used a non-prescribed, non OTC drug in the past 30 days with cocaine, MDMA and Vicodin reported most frequently. Twenty five percent reported growing up in an abusive or addictive household. Sixteen percent reported previous alcohol and/or drug treatment, and 2% are currently in a 12-step or other recovery program. Forty percent have used cannabis as a substitute for alcohol, 26% as a substitute for illicit drugs and 66% as a substitute for prescription drugs. The most common reasons given for substituting were: less adverse side effects (65%, better symptom management (57%, and less withdrawal potential (34% with cannabis. Conclusion The substitution of one

Neutron kerma factors, and water equivalence of some tissue substitutes

International Nuclear Information System (INIS)

Singh, V. P.; Badiger, N. M.; Vega C, H. R.

2014-08-01

The kerma factors and kerma relative to air and water of 24 compounds used as tissue substitutes were calculated for neutron energy from 2.53 x 10 -8 up to 29 MeV. The kerma ratio of the tissue substitutes relative to air and water were calculated by the ratio of kerma factors of the tissue substitute to air and water respectively. The water equivalence of the selected tissue substitutes was observed above neutron energies 100 eV. Kerma ratio relative to the air for Poly-vinylidene fluoride and Teflon are found to be nearest to unity in very low energy (up to 1 eV) and above 63 eV respectively. It was found that the natural rubber as a water equivalent tissue substitute compound. The results of the kerma factors in our investigation shows a very good agreement with those published in ICRU-44. We found that at higher neutron energies, the kerma factors and kerma ratios of the selected tissue substitute compounds are approximately same, but differences are large for energies below 100 eV. (Author)

Synthesis, antimicrobial and cytotoxicity studies of some novel modified Strobilurin derivatives

Energy Technology Data Exchange (ETDEWEB)

Sridhara, Ajjanna M.; Gopinath, Vadiraj S.; Bose, Prosenjit; Goud, Sanath Kumar [Advinus Therapeutics Pvt. Ltd., Bangalore (India); Reddy, Kallam R. Venugopala, E-mail: venurashmi30@rediffmail.co [Advinus Therapeutics Pvt. Ltd., Bangalore (India). Dept. of Studies in Industrial Chemistry; Keshavayya, Jathi [Advinus Therapeutics Pvt. Ltd., Bangalore (India). Dept. of Studies in Chemistry; Ambika, Dasannana Malige S. [Kuvempu University, Jnana Sahyadri, Karnataka (India). Dept. of Biochemistry; Peethambar, Sanenahalli K. [Kuvempu University, Jnana Sahyadri, Karnataka (India). Dept. of Plant Pathology

2011-07-01

A series of some new 3-isoxazoline substituted methyl-3-methoxy-2-(4-oxo-3,4- dihydrophthalazine-1-yl)prop-2-enoate derivatives were designed and synthesized from methyl- (4-oxo-3,4-dihydrophthalazine-1-yl)acetate, which in turn was prepared from phthalic anhydride. The structures of synthesized new compounds were characterized by spectral data and studied for their antimicrobial activities and cytotoxicity. Several of these compounds showed good antimicrobial activity (author)

Synthesis, in-vitro cytotoxicity of 1H-benzo[f]chromene derivatives and structure-activity relationships of the 1-aryl group and 9-position.

Science.gov (United States)

Mohamed, Hany M; Fouda, Ahmed M; Khattab, Essam S A E H; Agrody, Ahmed M El-; Afifi, Tarek H

2017-05-01

A series of 1H-benzo[f]chromene-2-carbonitriles was synthesized and evaluated for their cytotoxic activities against MCF-7, HCT-116, and HepG-2 cancer cells. The SAR studies reported that the substitution in the phenyl ring at 1-position of 1H-benzo[f]chromene nucleus with the specific group, H atom, or methoxy group at 9-position increases the ability of the molecule against the different cell lines.

Smart Phones and their Substitutes

DEFF Research Database (Denmark)

Bødker, Mads; Gimpel, Gregory; Hedman, Jonas

2009-01-01

Drawing on data from a longitudinal field study, this paper investigates the influence of existing, better and stand-alone technology substitutes on the use of smart phones. By applying prospect theory, media richness theory, and business model literature, the purpose of this paper is to improve...... our understanding of the role of substitutes, device content fit issues, and implications for business models by asking the question: What is an effective business model to address the relationship between user preference and the fit of the smart phone and everyday task? The field study data suggest...... the need for business models to recognize that adoption decisions are reference-dependent and strongly influenced by the fit between task and smart phone....

Development of an avidin sensor based on the poly(methoxy amino-β-styryl terthiophene)-coated glassy carbon electrode

KAUST Repository

Mehenni, Hakim

2012-03-01

In this study, a simple and direct biosensor was proposed, which was based on biotin immobilized onto a conducting polymer-coated electrode, for the determination of avidin, a highly stable glycoprotein found in egg whites. Biotin was immobilized onto the electrode by covalent coupling to the primary amine group on poly-3′-(2-methoxy-5-amino-β-styryl)-(2,2′: 5′,2″-terthiophene) (PMAST), and the biotin-avidin interaction was monitored by square-wave voltammetry. Incubation of the PMAST/biotin-modified coated electrode with avidin in a phosphate-buffered saline solution caused a significant change to its square-wave voltammogram, which was explained by the binding of avidin by biotin, and resulted in restricted ion transfer to and from the conducting polymer. This change was then utilized to determine avidin. Importantly, we found a linear relationship for the avidin sensor in the range of 4 × 10 -14 to 3 × 10 -4 mol/L, and the detection limit was determined to be approximately 10 -14 mol/L. © 2012 Published by NRC Research Press.

Labour migration and substitution (updated) : Second, revised version

NARCIS (Netherlands)

Cremers, Jan

2017-01-01

This (revised) paper compares the outcomes of several national and international studies on substitution as a consequence of migrants entering the labour market. Substitution appears if finding a job by one person results in the job loss (or non-obtaining of a job) of another person. The recruitment

US veterans use vitamins and supplements as substitutes for prescription medication.

Science.gov (United States)

Goldstein, Jennifer N; Long, Judith A; Arevalo, Doris; Ibrahim, Said A; Mao, Jun J

2014-12-01

Vitamins and supplements are the most commonly used form of complementary and alternative medicine in the United States. Growing research suggests that patients substitute vitamins and supplements for their prescription medications. The reasons might include cost of prescription medications and discordant patient and doctor health belief systems. To investigate the prevalence of substitution of vitamins and supplements for prescription medications among veterans who receive care in the VA health care system and whether substitution is associated with prescription rationing due to cost, treatment beliefs, or distrust of the health system. Cross-sectional observational survey. Primary care patients (n=275) at the Philadelphia VA Medical Center. Medication substitution, prescription medication rationing, treatment beliefs, and health system distrust were measured with structured instruments. Multivariate logistic regression was performed with substitution as the dependent variable. A significant number of primary care patients in the VA system use vitamins and supplements 206 (75%). The prevalence of medication substitution is high 48 (18%). Medication substitution is strongly associated with prescription rationing due to cost (adjusted odds ratio 6.3, 95% confidence interval: 2.0-19.5, P=0.001). Similarly, greater belief in complementary and alternative approaches to care positively predicts medication substitution (adjusted odds ratio 1.08, 95% confidence interval: 1.01-1.15, P=0.011). There is no significant association between health system distrust and likelihood of medication substitution. Medication substitution is prevalent in this sample of inner city primary care patients who receive care in the VA system. Cost of prescriptions and belief in the value of complementary and alternative approaches to care appear to be associated with this patient-driven treatment decision.

Si-substituted hydroxyapatite nanopowders: Synthesis, thermal stability and sinterability

International Nuclear Information System (INIS)

Bianco, Alessandra; Cacciotti, Ilaria; Lombardi, Mariangela; Montanaro, Laura

2009-01-01

Synthetic hydroxyapatites incorporating small amounts of Si have shown improved biological performances in terms of enhanced bone apposition, bone in-growth and cell-mediated degradation. This paper reports a systematic investigation on Si-substituted hydroxyapatite (Si 1.40 wt%) nanopowders produced following two different conventional wet methodologies: (a) precipitation of Ca(NO 3 ) 2 .4H 2 O and (b) titration of Ca(OH) 2 . The influence of the synthesis process on composition, thermal behaviour and sinterability of the resulting nanopowders is studied. Samples were characterised by electron microscopy, induced coupled plasma atomic emission spectroscopy, thermal analysis, infrared spectroscopy, N 2 adsorption measurements, X-ray diffraction and dilatometry. Semicrystalline Si-substituted hydroxyapatite powders made up of needle-like nanoparticles were obtained, the specific surface area ranged between 84 and 110 m 2 /g. Pure and Si-substituted hydroxyapatite nanopowders derived from Ca(NO 3 ) 2 .4H 2 O decomposed around 1000 deg. C. Si-substituted hydroxyapatite nanopowders obtained from Ca(OH) 2 were thermally stable up to 1200 deg. C and showed a distinct decreased thermal stability with respect to the homologous pure sample. Si-substituted hydroxyapatites exhibited higher sintering temperature and increased total shrinkage with respect to pure powders. Nanostructured dense ceramics were obtained by sintering at 1100 deg. C Si-substituted hydroxyapatites derived from Ca(OH) 2

From incremental to fundamental substitution in chemical alternatives assessment

DEFF Research Database (Denmark)

Fantke, Peter; Weber, Roland; Scheringer, Martin

2015-01-01

to similarity in chemical structures and, hence, similar hazard profiles between phase-out and substitute chemicals, leading to a rather incremental than fundamental substitution. A hampered phase-out process, the lack of implementing Green Chemistry principles in chemicals design, and lack of Sustainable...... an integrated approach of all stakeholders involved toward more fundamental and function-based substitution by greener and more sustainable alternatives. Our recommendations finally constitute a starting point for identifying further research needs and for improving current alternatives assessment practice....

Computational Modeling of Degradation of Substituted Benzyltrimethyl Ammonium: Preprint

Energy Technology Data Exchange (ETDEWEB)

Long, H.; Pivovar, B. S.

2014-09-01

The degradation of cations on the alkaline exchange membranes is the major challenge for alkaline membrane fuel cells. In this paper, we investigated the degradation barriers by density functional theory for substituted benzyltrimethyl ammonium (BTMA+) cations, which is one of the most commonly used cations for alkaline exchange membranes. We found that substituted cations with electron-releasing substituent groups at meta-position of the benzyl ring could result in improved degradation barriers. However, after investigating more than thirty substituted BTMA+ cations with ten different substituent groups, the largest improvement of degradation barriers is only 1.6 kcal/mol. This implies that the lifetime of alkaline membrane fuel cells could increase from a few months to a few years by using substituted BTMA+ cations, an encouraging but still limited improvement for real-world applications.

Industrialization in Sub-Saharan Africa and import substitution policy

Directory of Open Access Journals (Sweden)

Ana Paula F. Mendes

2014-03-01

Full Text Available This article aims to contribute to the understanding of the process of import substitution in Sub-Saharan Africa. The process of industrialization in Sub-Saharan Africa occurred in two phases: a first step, even very early during the colonial regime began around the 1920s and ended in the late forties; a second phase of industrialization began in the late fifties and gained momentum in the sixties, when import substitution was implemented more widely. Although these countries were the last to embark on the strategy of import substitution, they followed the same steps of Latin American countries, and as the structural domestic and external constraints were too strong, the failure of the policy of import substitution arrived early and the negative impact on these economies had a greater magnitude.

Novel Br-DPQ blue light-emitting phosphors for OLED.

Science.gov (United States)

Dahule, H K; Thejokalyani, N; Dhoble, S J

2015-06-01

A new series of blue light-emitting 2,4-diphenylquinoline (DPQ) substituted blue light-emitting organic phosphors namely, 2-(4-methoxy-phenyl)-4-phenyl-quinoline (OMe-DPQ), 2-(4-methyl-phenyl)-4-phenylquinoline (M-DPQ), and 2-(4-bromo-phenyl)-4-phenylquinoline (Br-DPQ) were synthesized by substituting methoxy, methyl and bromine at the 2-para position of DPQ, respectively by Friedländer condensation of 2-aminobenzophenone and corresponding acetophenone. The synthesized phosphors were characterized by different techniques, e.g., Fourier transform infra-red (FTIR), differential scanning calorimeter (DSC), UV-visible absorption and photoluminescence spectra. FTIR spectra confirms the presence of chemical groups such as C=O, NH, or OH in all the three synthesized chromophores. DSC studies show that these complexes have good thermal stability. Although they are low-molecular-weight organic compounds, they have the potential to improve the stability and operating lifetime of a device made out of these complexes. The synthesized polymeric compounds demonstrate a bright emission in the blue region in the wavelength range of 405-450 nm in solid state. Thus the attachment of methyl, methoxy and bromine substituents to the diphenyl quinoline ring in these phosphors results in colour tuning of the phosphorescence. An electroluminescence (EL) cell of Br-DPQ phosphor was made and its EL behaviour was studied. A brightness-voltage characteristics curve of Br-DPQ cell revealed that EL begins at 400 V and then the brightness increases exponentially with applied AC voltage, while current-voltage (I-V) characteristics revealed that the turn on voltage of the fabricated EL cell was 11 V. Hence this phosphor can be used as a promising blue light material for electroluminescent devices. Copyright © 2014 John Wiley & Sons, Ltd.

N-acetylcolchinol O-methyl ether and thiocolchicine, potent analogs of colchicine modified in the C ring. Evaluation of the mechanistic basis for their enhanced biological properties

International Nuclear Information System (INIS)

Kang, G.J.; Getahun, Z.; Muzaffar, A.; Brossi, A.; Hamel, E.

1990-01-01

Two colchicine analogs with modifications only in the C ring are better inhibitors than colchicine of cell growth and tubulin polymerization. Radiolabeled thiocolchicine (with a thiomethyl instead of a methoxy group at position C-10) and N-acetylcolchinol O-methyl ether (NCME) (with a methoxy-substituted benzenoid instead of the methoxy-substituted tropone C ring) were prepared for comparison with colchicine. Scatchard analysis indicated a single binding site with KD values of 1.0-2.3 microM. Thiocolchicine was bound 2-4 times as rapidly as colchicine, but the activation energies of the reactions were nearly identical (18 kcal/mol for colchicine, 20 kcal/mol for thiocolchicine). NCME bound to tubulin in a biphasic reaction. The faster phase was 60 times as fast as colchicine binding at 37 degrees C, and a substantial reaction occurred at 0 degrees C. The rate of the faster phase of NCME binding changed relatively little as a function of temperature, so the activation energy was only 7.0 kcal/mol. Dissociation reactions were also evaluated, and at 37 degrees C the half-lives of the tubulin-drug complexes were 11 min for NCME, 24 h for thiocolchicine, and 27 h for colchicine. Relative dissociation rates as a function of temperature varied little among the drug complexes. Activation energies for the dissociation reactions were 30 kcal/mol for thiocolchicine, 27 kcal/mol for NCME, and 24 kcal/mol for colchicine. Comparison of the activation energies of association and dissociation yielded free energies for the binding reactions of -20 kcal/mol for NCME, -10 kcal/mol for thiocolchicine, and -6 kcal/mol for colchicine. The greater effectiveness of NCME and thiocolchicine as compared with colchicine in biological assays probably derives from their more rapid binding to tubulin and the lower free energies of their binding reactions

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

Science.gov (United States)

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

2003-01-01

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

A first-principles study of light non-metallic atom substituted blue phosphorene

Energy Technology Data Exchange (ETDEWEB)

Sun, Minglei [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Tang, Wencheng, E-mail: 101000185@seu.edu.cn [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Ren, Qingqiang [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, Hunan (China); Wang, Sa-ke [Department of Physics, Southeast University, Nanjing 210096, Jiangsu (China); Yu, Jin [School of Materials Science and Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189, Jiangsu (China); Du, Yanhui [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China)

2015-11-30

Graphical abstract: - Highlights: • All the impurities are covalently bonded to blue phosphorene (with a single vacancy). • All the substituted systems are semiconductors. • B-substituted system exhibits direct bandgap semiconductor behavior. • The band gaps with spin polarization are found in C and O-substituted systems. • Our works can paves a new route at nanoscale for novel functionalities of optical and spintronics devices. - Abstract: First-principles calculations are implemented to study the geometric, electronic and magnetic properties of light non-metallic atom (B, C, N, O and F) substituted blue phosphorene. All the substituted systems are highly stable. The B-substituted system is a direct bandgap semiconductor with a bandgap size about 1.5 eV. The C, O-substituted systems are promising systems to explore two-dimensional diluted magnetic semiconductors. Magnetism is observed for C and O substitution, while for the other impurities no magnetic moment is detected. Our works paves a new route at nanoscale for novel functionalities of optical and spintronics devices.

SUBSTITUTION OF CADMIUM CYANIDE ELECTROPLATING WITH ZINC CHLORIDE ELECTROPLATING

Science.gov (United States)

The study evaluated the zinc chloride electroplating process as a substitute for cadmium cyanide electroplating in the manufacture of industrial connectors and fittings at Aeroquip Corporation. The process substitution eliminates certain wastes, specifically cadmium and cyanide, ...

Plasma 3-methoxy-4-hydroxyphenylglycol and homovanillic acid measurements in deficit and nondeficit forms of schizophrenia.

Science.gov (United States)

Thibaut, F; Ribeyre, J M; Dourmap, N; Ménard, J F; Dollfus, S; Petit, M

1998-01-01

Discrepancies in the biochemical research on negative symptoms in schizophrenia may be ascribed to the lack of differentiation into primary and secondary negative symptoms. We have used Carpenter's criteria to define the deficit syndrome of schizophrenia as the presence of enduring and primary negative symptoms and measured catecholaminergic parameters in deficit as compared with nondeficit schizophrenics. We have investigated plasma homovanillic acid (pHVA) and 3-methoxy-4-hydroxyphenylglycol (pMHPG) concentrations in 34 DSM-III-R neuroleptic-treated schizophrenic patients who were classified into deficit (n = 14) and nondeficit (n = 20) forms of schizophrenia. All these patients were in a stable clinical and therapeutic status for the preceding 12 months. The 14 deficit schizophrenic patients had lower plasma levels of pHVA and higher plasma concentrations of pMHPG from 9 AM to 12 AM as compared with the 20 nondeficit schizophrenic patients. The two groups did not differ on any demographic, therapeutic, or clinical variable considered. Our data are consistent with the postulated distinct pathophysiological basis for the deficit syndrome of schizophrenia and suggest that opposite alterations in the pHVA or pMHPG levels may reflect specific changes in noradrenergic and dopaminergic functions in these deficit patients.

A Group Action Method for Construction of Strong Substitution Box

Science.gov (United States)

Jamal, Sajjad Shaukat; Shah, Tariq; Attaullah, Atta

2017-06-01

In this paper, the method to develop cryptographically strong substitution box is presented which can be used in multimedia security and data hiding techniques. The algorithm of construction depends on the action of a projective general linear group over the set of units of the finite commutative ring. The strength of substitution box and ability to create confusion is assessed with different available analyses. Moreover, the ability of resistance against malicious attacks is also evaluated. The substitution box is examined by bit independent criterion, strict avalanche criterion, nonlinearity test, linear approximation probability test and differential approximation probability test. This substitution box is equated with well-recognized substitution boxes such as AES, Gray, APA, S8, prime of residue, Xyi and Skipjack. The comparison shows encouraging results about the strength of the proposed box. The majority logic criterion is also calculated to analyze the strength and its practical implementation.

Substitution of wastes for fuels and raw materials in high-temperature processes; Substitution von Brennstoffen und Rohstoffen durch Abfaelle in Hochtemperaturprozessen

Energy Technology Data Exchange (ETDEWEB)

Scholz, R. [Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany). Inst. fuer Energieverfahrenstechnik; Beckmann, M. [Clausthaler Umwelttechnik-Institut GmbH (CUTEC), Clausthal-Zellerfeld (Germany)

1998-09-01

The physical recycling and energy conversion of wastes has for a long time been a topic of discussion. Some of the most interesting questions in this connection concern specific applications such as the co-combustion of sewage sludge in power plants, substitution of plastic wastes for primary fuels in burning processes in the cement industry etc. This paper also undertakes a comparative study of different applications, giving additional consideration to the state of the art in thermal waste treatment. Different processes can of course only be compared by taking the entirety of expenditures on additives and auxiliary energy into account and assuming equal side constraints for all processes. A further requirement is that the waste materials` specific properties that are relevant to the application in question have to be taken into account. This concerns in particular the effects of the substitution of waste-derived fuels (secondary fuels) for primary fuels on, for example, heat transfer conditions during the combustion process, flow conditions, and the resultant temperature distribution, transport of feedstock, and specific energy expenditure. Secondary fuels must be suited for substitution in various respects, e.g. in their material properties, and their combustion and thermal behaviour. The present paper deals in particular with the requirements on wastes as substitutes for primary fuels with regard to combustion and thermal behaviour. For this purpose it briefly discusses some important aspects of heat transfer in firing plants and industrial furnaces. An important criterion in assessing fuel substitution is the energy exchange ratio, which expresses value of the substitute fuel relative to that of the primary fuel and should be duly considered when making comparative studies. Focussing on aspects of process engineering the paper also deals exemplarily with the influence of fuel substitution on, e.g. furnace temperature, exhaust gas quantities etc. in clinker

Carbolanthanation of substituted alkynes

International Nuclear Information System (INIS)

Kalinin, V.N.; Kazimirchuk, E.I.; Vitt, S.V.; Khandozhko, V.N.; Beletskaya, I.P.

1993-01-01

Using the reaction between CH 3 YbI and substituted alkynes as an example, agents can enter into carbolanthanation reaction via transfer of a methyl group to carbon atom of acetylene bond with the production of a new olefin carbanion. 5 refs.; 1 fig.; 3 tabs

Synthesis, characterization and modelling of zinc and silicate co-substituted hydroxyapatite.

Science.gov (United States)

Friederichs, Robert J; Chappell, Helen F; Shepherd, David V; Best, Serena M

2015-07-06

Experimental chemistry and atomic modelling studies were performed here to investigate a novel ionic co-substitution in hydroxyapatite (HA). Zinc, silicate co-substituted HA (ZnSiHA) remained phase pure after heating to 1100 °C with Zn and Si amounts of 0.6 wt% and 1.2 wt%, respectively. Unique lattice expansions in ZnSiHA, silicate Fourier transform infrared peaks and changes to the hydroxyl IR stretching region suggested Zn and silicate co-substitution in ZnSiHA. Zn and silicate insertion into HA was modelled using density functional theory (DFT). Different scenarios were considered where Zn substituted for different calcium sites or at a 2b site along the c-axis, which was suspected in singly substituted ZnHA. The most energetically favourable site in ZnSiHA was Zn positioned at a previously unreported interstitial site just off the c-axis near a silicate tetrahedron sitting on a phosphate site. A combination of experimental chemistry and DFT modelling provided insight into these complex co-substituted calcium phosphates that could find biomedical application as a synthetic bone mineral substitute. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Synthesis, characterization and modelling of zinc and silicate co-substituted hydroxyapatite

Science.gov (United States)

Friederichs, Robert J.; Chappell, Helen F.; Shepherd, David V.; Best, Serena M.

2015-01-01

Experimental chemistry and atomic modelling studies were performed here to investigate a novel ionic co-substitution in hydroxyapatite (HA). Zinc, silicate co-substituted HA (ZnSiHA) remained phase pure after heating to 1100°C with Zn and Si amounts of 0.6 wt% and 1.2 wt%, respectively. Unique lattice expansions in ZnSiHA, silicate Fourier transform infrared peaks and changes to the hydroxyl IR stretching region suggested Zn and silicate co-substitution in ZnSiHA. Zn and silicate insertion into HA was modelled using density functional theory (DFT). Different scenarios were considered where Zn substituted for different calcium sites or at a 2b site along the c-axis, which was suspected in singly substituted ZnHA. The most energetically favourable site in ZnSiHA was Zn positioned at a previously unreported interstitial site just off the c-axis near a silicate tetrahedron sitting on a phosphate site. A combination of experimental chemistry and DFT modelling provided insight into these complex co-substituted calcium phosphates that could find biomedical application as a synthetic bone mineral substitute. PMID:26040597

Modelling energy and non-energy substitution: A brief survey of elasticities

International Nuclear Information System (INIS)

Frondel, Manuel

2011-01-01

Estimating the degree of substitution between energy and non-energy inputs is the key for any evaluation of environmental and energy policies. Yet, given the variety of substitution elasticities, the central question arises as to which measure would be most appropriate. Apparently, Allen's elasticities of substitution have been the most-used measures in applied production analysis. In line with , this paper argues that cross-price elasticities are preferable for many practical purposes. This conclusion is based on a survey of classical substitution measures, such as those from Allen, Morishima, and McFadden. The survey highlights the fact that cross-price elasticities are their essential ingredients. - Highlights: → Given the large variety of substitution elasticities, the central question arises as to which measure would be most appropriate. Apparently, Allen's elasticities of substitution have been the most-used measures in applied production analysis. → In line with , this paper argues that cross-price elasticities are preferable for many practical purposes. → This conclusion is based on a survey of classical substitution measures, such as those from Allen, Morishima, and McFadden. → The survey also highlights the fact that cross-price elasticities are their essential ingredients.

Sublattice imbalance of substitutionally doped nitrogen in graphene

DEFF Research Database (Denmark)

Lawlor, James A.; Gorman, Paul D.; Power, Stephen

2014-01-01

Motivated by the recently observed sublattice asymmetry of substitutional nitrogen impurities in CVD grown graphene, we show, in a mathematically transparent manner, that oscillations in the local density of states driven by the presence of substitutional impurities are responsible for breaking......, but should be present in other impurities. (C) 2014 Elsevier Ltd. All rights reserved....

Hydrothermal synthesis and characterizations of Ti substituted Mn-ferrites

Energy Technology Data Exchange (ETDEWEB)

Mostafa, Nasser Y., E-mail: nmost69@yahoo.com [Faculty of Science, Taif University, P.O. Box 888 Al-Haweiah, Taif (Saudi Arabia); Chemistry Department, Faculty of Science, Suez Canal University, Ismailia 41522 (Egypt); Hessien, M.M. [Faculty of Science, Taif University, P.O. Box 888 Al-Haweiah, Taif (Saudi Arabia); Advanced materials Division-Central metallurgical R and D Institute (CMRDI), P.O. Box 87 Helwan, Cairo (Egypt); Shaltout, Abdallah A. [Faculty of Science, Taif University, P.O. Box 888 Al-Haweiah, Taif (Saudi Arabia); Spectroscopy Department, Physics Division, National Research Center, El Behooth Str., 12622 Dokki, Cairo (Egypt)

2012-07-15

Highlights: Black-Right-Pointing-Pointer Hydrothermal synthesized of well-crystallized Ti-substituted MnFe{sub 2}O{sub 4} nanoparticles at 180 Degree-Sign C without any calcination step. The chemical composition was represented by Mn{sub 1-2x}Ti{sub x}Fe{sub 2}O{sub 4} with x having values 0.0, 0.1, 0.2, 0.3 and 0.4. Black-Right-Pointing-Pointer The change in lattice parameter and saturation magnetization with increasing Ti-substitution was investigated and explained. Black-Right-Pointing-Pointer The change in microstructure due to Ti{sup 4+} ions substitutions was investigated using TEM analysis. - Abstarct: A series of well-crystallized Mn{sub 1-2x}Ti{sub x}Fe{sub 2}O{sub 4} nanoparticles with x values of 0.0, 0.1, 0.2, 0.3 and 0.4 have been synthesized by hydrothermal route at 180 Degree-Sign C in the presence of NaOH as mineralizer. The obtained ferrite samples were characterized by X-ray diffraction (XRD), transmission electron microscope (TEM) and vibrating sample magnetometer (VSM). The XRD analysis showed that pure single phases of cubic ferrites were obtained with x up to 0.2. However, samples with x > 0.2 showed traces of unreacted anatase. The increase in Ti-substitution up to x = 0.2 leads to an increase in the lattice parameter of the prepared ferrites. On the other hand, the increase in Ti-substitution over x = 0.2 leads to a decrease in the lattice parameter. The average crystallite size was in the range of 39-57 nm, where it is increased by increasing the Ti-substitution up to x = 0.3, then decreased for x = 0.4. According to VSM results, the saturation magnetization increased with Ti ion substitution of x = 0.1 and decreased for x > 0.1.

Hydrophobic core substitutions in calbindin D9k

DEFF Research Database (Denmark)

Kragelund, B B; Jönsson, M; Bifulco, G

1998-01-01

Hydrophobic core residues have a marked influence on the Ca2+-binding properties of calbindin D9k, even though there are no direct contacts between these residues and the bound Ca2+ ions. Eleven different mutants with substitutions in the hydrophobic core were produced, and their equilibrium Ca2+...... that the hydrophobic core residues promote Ca2+ binding both by contributing to the preformation of the Ca2+ sites in the apo state and by preferentially stabilizing the Ca2+-bound state.......Hydrophobic core residues have a marked influence on the Ca2+-binding properties of calbindin D9k, even though there are no direct contacts between these residues and the bound Ca2+ ions. Eleven different mutants with substitutions in the hydrophobic core were produced, and their equilibrium Ca2...... that the mutation causes only very minimal perturbations in the immediate vicinity of residue 61. Substitutions of alanines or glycines for bulky residues in the center of the core were found to have significant effects on both Ca2+ affinity and dissociation rates. These substitutions caused a reduction in affinity...

New banana-type liquid crystal with a methoxy group substituted near the central ring

Czech Academy of Sciences Publication Activity Database

Kašpar, Miroslav; Hamplová, Věra; Novotná, Vladimíra; Glogarová, Milada; Vaněk, Přemysl

2002-01-01

Roč. 12, - (2002), s. 2221-2224 ISSN 0959-9428 Institutional research plan: CEZ:AV0Z1010914 Keywords : bent-shaped liquid crystal * nm-chiral * B 2 phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.683, year: 2002

Effect of lateral methoxy substitution on mesomorphic and structural properties of ferroelectric liquid crystals

Czech Academy of Sciences Publication Activity Database

Bubnov, Alexej M.; Kašpar, Miroslav; Novotná, Vladimíra; Hamplová, Věra; Glogarová, Milada; Kapernaum, N.; Giesselmann, F.

2008-01-01

Roč. 35, č. 11 (2008), s. 1329-1337 ISSN 0267-8292 R&D Projects: GA ČR GA202/05/0431; GA AV ČR IAA100100710 Grant - others:DAAD-ASCR(XE) D11-CZ7/06-07; DAAD-ASCR(XE) D7-CZ8/08-09 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectric liquid crystal * chiral materials * x-ray diffraction * dielectric properties * layer shrinkage * spontaneous polarisation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.132, year: 2008

39 CFR 762.43 - Issuance of substitute disbursement postal money order.

Science.gov (United States)

2010-07-01

... 39 Postal Service 1 2010-07-01 2010-07-01 false Issuance of substitute disbursement postal money...; DISBURSEMENT POSTAL MONEY ORDERS DISBURSEMENT POSTAL MONEY ORDERS Issuance of Substitutes for Lost, Destroyed, Mutilated, and Defaced Disbursement Postal Money Orders § 762.43 Issuance of substitute disbursement postal...

Control of Chemical Risks by Substitution of Harmful Substances

DEFF Research Database (Denmark)

Jacobsen, Thomas

1997-01-01

Substitution of volatile, organic solvents with non-volatile, low-toxic esters of fatty acids for cleaning purposes in offset printing has successfully been implemented in several European countries. Similar substitutions in other industrial cleaning processes seem possible, especially regarding...

N′-[Bis(benzylsulfanylmethylidene]-4-methoxybenzohydrazide

Directory of Open Access Journals (Sweden)

Jerry P. Jasinski

2010-08-01

Full Text Available In the title compound, C23H22N2O2S2, the dihedral angles between the 4-methoxy-substituted phenyl ring and the other two phenyl rings are 84.4 (4 and 77.7 (1°, respectively, while the dihedral angle between the two phenyl rings is 57.5 (2°. The amino group is not involved in an N—H hydrogen bond. The crystal packing is established by intermolecular C—H...O packing interactions involving a relatively rare weak three-center hydrogen bond between the keto O atom and H atoms of the two nearby phenyl rings, which link the molecules into chains running along the a axis. Additional weak intermolecular hydrogen-bond interactions between the 4-methoxy O atom and one of the phenyl rings and provide added stability to the crystal packing.

Influence of higher sodium substitutions on magnetic entropy ...

Indian Academy of Sciences (India)

The change in entropy also decreases with increase in substitution of sodium. A notable change ... of substituting elements for A and B ions, valence states of. Mn and the oxygen ... applied external magnetic field of 7 T.17 Sodium substitu- ..... Bohigas X, Tejada J, Del Barco E, Zhang X X and Sales M. 1998 Appl. Phys. Lett.

Consumer acceptance and appropriateness of meat substitutes in a meal context

NARCIS (Netherlands)

Elzerman, J.E.; Hoek, A.C.; Boekel, van M.A.J.S.; Luning, P.A.

2011-01-01

The replacement of meat by meat substitutes could help to reduce the environmental burden of our food production systems. However, the acceptance of most meat substitutes is still low. This study investigated the role of meal context on the acceptance of meat substitutes. In a central location test

Photochemical reaction of Si-substituted ethynylsilanes with 1,2-ethanedithiol

Energy Technology Data Exchange (ETDEWEB)

Voronkov, M.G.; Brodskaya, E.I.; Kalabin, G.A.; Vlasova, N.N.; Yarosh, O.G.; Zhila, G.Y.

1985-12-01

The authors investigate the chief products of the photochemical reactions of Si-substituted ethynylsilanes with 1,2,-ethanedithiol at 60-70 C. It is found that the chief products are 2-triorganylsilyl-substituted 1,4-dithiacyclopentanes and 1,4-dithiacyclohexanes. On lowering the temperature to -30 C, formation of bis (triorganylsilyl)-substituted 1,4,7,10-tetrathiacyclododecanes occurs along with the abo ve-mentioned five- and six-membered heterocycles.

Hyperfine magnetic fields in substituted Finemet alloys

Energy Technology Data Exchange (ETDEWEB)

Brzózka, K., E-mail: k.brzozka@uthrad.pl [University of Technology and Humanities in Radom, Department of Physics (Poland); Sovák, P. [P.J. Šafárik University, Institute of Physics (Slovakia); Szumiata, T.; Gawroński, M.; Górka, B. [University of Technology and Humanities in Radom, Department of Physics (Poland)

2016-12-15

Transmission Mössbauer spectroscopy was used to determine the hyperfine fields of Finemet-type alloys in form of ribbons, substituted alternatively by Mn, Ni, Co, Al, Zn, V or Ge of various concentration. The comparative analysis of magnetic hyperfine fields was carried out which enabled to understand the role of added elements in as-quenched as well as annealed samples. Moreover, the influence of the substitution on the mean direction of the local hyperfine magnetic field was examined.

Substituting telecommunications for travel - Feasible or desirable

Science.gov (United States)

Van Vleck, E. M.

1974-01-01

This paper reviews recent advances in telecommunications and examines the detailed structure of travel to estimate the feasibility of substituting telecommunications for various travel objectives. The impact of travel is analyzed from a social, economic, energy, and pollution standpoint to assess the desirability of substitution. Perhaps 35-50% of the nation's travel could, in theory, be replaced by very advanced telecommunications (such as a much improved large-screen teleconferencing network), but public resistance would be massive. Much economic dislocation would result since, for example, over 25% of retail sales are travel-related. The energy savings would be modest since only 25% of the nation's energy is consumed by transportation. However, all pollution would be reduced substantially since transportation accounts for 75% of the carbon monoxide, 60% of the hydrocarbon, and 55% of the nitrogen oxide pollution in the nation. Problems related to the implementation of large-scale substitution are discussed.

Surface properties of nanostructured NiO undergoing electrochemical oxidation in 3-methoxy-propionitrile

International Nuclear Information System (INIS)

Bonomo, Matteo; Marrani, Andrea Giacomo; Novelli, Vittoria; Awais, Muhammad; Dowling, Denis P.; Vos, Johannes G.; Dini, Danilo

2017-01-01

Highlights: • NiO porous thin films were prepared via RDS technique. • NiO electrodes were characterized in a nitrile based electrochemical cell. • NiO electrodes were studied by means of XPS. • The XP spectra excluded the formation of phases other than NiO. • The presence of ClO 4 − as charge balancing species was evidenced. - Abstract: Nanostructured nickel oxide (NiO) was deposited in the configuration of thin film (thickness, l = 2–6 μm) onto fluorine-doped tin oxide (FTO) substrates via plasma-assisted rapid discharge sintering (RDS). Electrochemical cycling of RDS NiO in 3-methoxy-propionitrile (3-MPN) revealed two characteristic peaks of NiO oxidation which were associated to the surface-confined redox processes Ni(II) → Ni(III) and Ni(III) → Ni(IV). Grazing angle X-ray photoelectron spectroscopy (XPS) was conducted ex-situ on NiO electrodes in both pristine and oxidized states. Oxidized NiO samples for XPS experiments were obtained in the potentiostatic mode through the polarization of NiO at its two characteristic potentials of oxidation. The XPS analysis allowed to ascertain the electronic structure of the nanoporous NiO framework, and verify the adsorption of perchlorate and chloride anions onto NiO surface due to the compensation of the charge stored in oxidized NiO. XPS also revealed that the spectrum within the region characteristic of Ni 2p ionization does not vary considerably with the state of charge of the nickel centres. This finding is in evident contrast to what has been observed for the same system when it undergoes electrochemical oxidation in aqueous electrolyte.

Surface properties of nanostructured NiO undergoing electrochemical oxidation in 3-methoxy-propionitrile

Energy Technology Data Exchange (ETDEWEB)

Bonomo, Matteo [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Marrani, Andrea Giacomo, E-mail: andrea.marrani@uniroma1.it [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Novelli, Vittoria [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Awais, Muhammad [Department of Industrial Engineering, “King Abdulaziz” University, Rabigh (Saudi Arabia); Solar Energy Conversion Strategic Research Cluster, University College Dublin (UCD), Belfield, Dublin 4 (Ireland); Dowling, Denis P. [Solar Energy Conversion Strategic Research Cluster, University College Dublin (UCD), Belfield, Dublin 4 (Ireland); School of Mechanical and Materials Engineering, University College Dublin (UCD), Belfield, Dublin 4 (Ireland); Vos, Johannes G. [School of Chemical Sciences, Dublin City University (DCU), Glasnevin, Dublin 9 (Ireland); Dini, Danilo [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Solar Energy Conversion Strategic Research Cluster, University College Dublin (UCD), Belfield, Dublin 4 (Ireland)

2017-05-01

Highlights: • NiO porous thin films were prepared via RDS technique. • NiO electrodes were characterized in a nitrile based electrochemical cell. • NiO electrodes were studied by means of XPS. • The XP spectra excluded the formation of phases other than NiO. • The presence of ClO{sub 4}{sup −} as charge balancing species was evidenced. - Abstract: Nanostructured nickel oxide (NiO) was deposited in the configuration of thin film (thickness, l = 2–6 μm) onto fluorine-doped tin oxide (FTO) substrates via plasma-assisted rapid discharge sintering (RDS). Electrochemical cycling of RDS NiO in 3-methoxy-propionitrile (3-MPN) revealed two characteristic peaks of NiO oxidation which were associated to the surface-confined redox processes Ni(II) → Ni(III) and Ni(III) → Ni(IV). Grazing angle X-ray photoelectron spectroscopy (XPS) was conducted ex-situ on NiO electrodes in both pristine and oxidized states. Oxidized NiO samples for XPS experiments were obtained in the potentiostatic mode through the polarization of NiO at its two characteristic potentials of oxidation. The XPS analysis allowed to ascertain the electronic structure of the nanoporous NiO framework, and verify the adsorption of perchlorate and chloride anions onto NiO surface due to the compensation of the charge stored in oxidized NiO. XPS also revealed that the spectrum within the region characteristic of Ni 2p ionization does not vary considerably with the state of charge of the nickel centres. This finding is in evident contrast to what has been observed for the same system when it undergoes electrochemical oxidation in aqueous electrolyte.

Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi_0_._9_8B_0_._0_2

International Nuclear Information System (INIS)

Sun, Hui; Lu, Xu; Morelli, Donald T.

2016-01-01

Boron-added CoSi, CoSi_0_._9_8B_0_._0_2, possesses a very high thermoelectric power factor of 60 μW cm"−"1 K"−"2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms is intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi_0_._9_8B_0_._0_2 has been studied. Here, we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands, while Ge substitution only shifts the Fermi level upward into the conduction band. Our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.

40 CFR 721.5278 - Substituted naphthalenesulfonic acid, alkali salt.

Science.gov (United States)

2010-07-01

..., alkali salt. 721.5278 Section 721.5278 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.5278 Substituted naphthalenesulfonic acid, alkali salt. (a) Chemical... as a substituted naphthalenesulfonic acid, alkali salt (PMN P-95-85) is subject to reporting under...

40 CFR 721.8900 - Substituted halogenated pyridinol, alkali salt.

Science.gov (United States)

2010-07-01

..., alkali salt. 721.8900 Section 721.8900 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.8900 Substituted halogenated pyridinol, alkali salt. (a) Chemical... as substituted halogenated pyridinols, alkali salts (PMNs P-88-1271 and P-88-1272) are subject to...

Molecular Structure and Chemical Shift Assignments of 4-(2-Methoxy-4-Methylphenoxy)Phthalonitrile (C16H12N2O2) By DFT And AB Initio HF Calculations

International Nuclear Information System (INIS)

Tarcan, E.

2008-01-01

The molecular geometry, gauge including atomic orbital (GIAO) 1 H and 13 C chemical shift values of 4-(2-Methoxy-4-methylphenoxy)phthalonitrile (C 1 6H 1 2N 2 O 2 ) in the ground state have been calculated by using the Hartree-Fock (HF) and density functional methods (B3LYP and BLYP) with 6-31G(d) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The optimized bond length numbers with bond angels are in good agreement with the X-ray data

Substitution possibilities and determinants of energy intensity for China

International Nuclear Information System (INIS)

Ma, Hengyun; Oxley, Les; Gibson, John

2009-01-01

This paper measures technological change, factor demand and inter-factor and inter-fuel substitutability measures for China. We use individual fuel price data and a two-stage approach to estimate total factor cost functions and fuel share equations. Both inter-factor and inter-fuel substitution elasticities are calculated and the change in energy intensity is decomposed into its driving forces. The results suggest that energy is substitutable for capital regionally and for labor nationally. Capital substitutes for energy more easily than labor does. Energy intensity changes vary by region but the major drivers seem to be 'budget effect' and the adoption of energy-intensive technologies, which might be embodied in high-level energy-using exports and sectors, capital investment and even old technique and equipment imports. Whether the trend in rising energy intensity continues will be significant for China and the rest of the world. (author)

Substitution possibilities and determinants of energy intensity for China

Energy Technology Data Exchange (ETDEWEB)

Ma, Hengyun [College of Economics and Management, Henan Agricultural University, 95 Wenhua Road, Zhengzhou 450002 (China); Department of Economics, University of Canterbury, Private bag 4800, Christchurch 8140 (New Zealand); Oxley, Les [Department of Economics, University of Canterbury, Private bag 4800, Christchurch 8140 (New Zealand); Gibson, John [Department of Economics, University of Waikato, Private Bag 3105, Hamilton (New Zealand)

2009-05-15

This paper measures technological change, factor demand and inter-factor and inter-fuel substitutability measures for China. We use individual fuel price data and a two-stage approach to estimate total factor cost functions and fuel share equations. Both inter-factor and inter-fuel substitution elasticities are calculated and the change in energy intensity is decomposed into its driving forces. The results suggest that energy is substitutable for capital regionally and for labor nationally. Capital substitutes for energy more easily than labor does. Energy intensity changes vary by region but the major drivers seem to be 'budget effect' and the adoption of energy-intensive technologies, which might be embodied in high-level energy-using exports and sectors, capital investment and even old technique and equipment imports. Whether the trend in rising energy intensity continues will be significant for China and the rest of the world. (author)

Synthesis and Biological Evaluation of Indolyl-Pyridinyl-Propenones Having Either Methuosis or Microtubule Disruption Activity

OpenAIRE

Trabbic, Christopher J.; Overmeyer, Jean H.; Alexander, Evan M.; Crissman, Emily J.; Kvale, Heather M.; Smith, Marcie A.; Erhardt, Paul W.; Maltese, William A.

2015-01-01

Methuosis is a form of nonapoptotic cell death characterized by an accumulation of macropinosome-derived vacuoles with eventual loss of membrane integrity. Small molecules inducing methuosis could offer significant advantages compared to more traditional anticancer drug therapies that typically rely on apoptosis. Herein we further define the effects of chemical substitutions at the 2- and 5-indolyl positions on our lead compound 3-(5-methoxy-2-methyl-1H-indol-3-yl)-1-(4-pyridinyl)-2-propene-1...

Controlled Synthesis of AB2 amphiphilic triarm star-shaped block copolymers by ring-opening polymerization

OpenAIRE

Petrova, Svetla; Riva, Raphaël; Jérôme, Christine; Lecomte, Philippe; Mateva, Rosa

2009-01-01

This paper describes the synthesis of a novel amphiphilic AB2 triarm star-shaped copolymer with A = non-toxic and biocompatible hydrophilic poly(ethylene oxide) (PEO) and B = biodegradable and hydrophobic poly(ε-caprolactone) (PCL). A series of AB2 triarm star-shaped copolymers with different molecular weights for the PCL block were successfully synthesized by a three-step procedure. α-methoxy-ω-epoxy-poly(ethylene oxide) (PEO-epoxide) was first synthesized by the nucleophilic substitution of...

Pesticide Substitution: Combining Food Safety with Environmental Quality

DEFF Research Database (Denmark)

Fantke, Peter

2015-01-01

Various pesticides are authorized for use on agricultural food crops. Despite regulatory risk assessments aiming at ensuring consumer and environmental safety, pesticides contribute to human and environmental impacts. Guidance is needed to optimize pesticide use practice and minimize human...... and environmental exposure. Comparative pesticide substitution scenarios are presented to address this need. In a case study on wheat, different pesticides have been compared with respect to their substitution potential with focus on human health. Results demonstrate that health impacts can be reduced up to 99......% by defining adequate substitution scenarios. Comprehensive scenarios need to also consider worker and environmental burden, and information on crop rotation, pest pressure, environmental conditions, application costs and efficacy. Such scenarios help to increase food safety and more sustainable use...

Generic medicines and generic substitution: contrasting perspectives of stakeholders in Ireland.

Science.gov (United States)

O'Leary, A; Usher, C; Lynch, M; Hall, M; Hemeryk, L; Spillane, S; Gallagher, P; Barry, M

2015-12-15

The Health (Pricing and Supply of Medical Goods) Act 2013 passed into law in July 2013 and legislated for generic substitution in Ireland. The aim of the study was to ascertain the knowledge and perceptions of stakeholders i.e. patients, pharmacists and prescribers, of generic medicines and to generic substitution with the passing of legislation. Three stakeholder specific questionnaires were developed to assess knowledge of and perceptions to generic medicines and generic substitution. Purposive samples of patients, prescribers and pharmacists were analysed. Descriptive quantitative and qualitative analyses were undertaken. A total of 762 healthcare professionals and 353 patients were recruited. The study highlighted that over 84% of patients were familiar with generic medicines and are supportive of the concept of generic substitution. Approximately 74% of prescribers and 84% of pharmacists were supportive of generic substitution in most cases. The main areas of concern highlighted by the healthcare professionals that might impact on the successful implementation of the policy, were the issue of bioequivalence with generic medicines, the computer software systems used at present in general practitioner (GP) surgeries and the availability of branded generics. The findings from this study identify a high baseline rate of acceptance to generic medicines and generic substitution among patients, prescribers and pharmacists in the Irish setting. The concerns of the main stakeholders provide a valuable insight into the potential difficulties that may arise in its implementation, and the need for on-going reassurance and proactive dissemination of the impact of the generic substitution policy. The existing positive attitude to generic medicines and generic substitution among key stakeholders in Ireland to generic substitution, combined with appropriate support and collaboration should result in the desired increase in rates of prescribing, dispensing and use of generic

synthesis, antimicrobial and phytotoxic activity of amide derivatives of L-(+)-2,3-diacetoxy-4-methoxy-4-oxo-butanoic acid

International Nuclear Information System (INIS)

Malik, M.; Khan, S.W.; Zaidi, J.H.; Khan, K.M.; Hussain, S.

2014-01-01

A short, versatile, an efficient asymmetric synthesis of substituted aromatic amides is described. L-Tartaric acid conveniently converted into diacetyl-L-tartaric anhydride. Diacetyl-L-tartaric anhydride was then transformed into half ester which was then reacted with substituted anilines to yield respective chiral amides 3-8. These chiral amides were characterized by spectroscopic techniques i.e. 1H-NMR, 13C-NMR, IR and mass spectrometry. Amides 3-8 were tested for their antimicrobial as well as phytotoxic activities. (author)

Testing of currency substitution effect on exchange rate volatility in Serbia

Directory of Open Access Journals (Sweden)

Petrović Predrag

2016-01-01

Full Text Available Despite numerous different definitions existing in the literature, currency substitution is generally understood as a phenomenon when domestic residents prefer to use foreign currency rather than domestic currency. The main reasons for such phenomenon include high and volatile inflation, strong depreciation of national currency and high interest rate differential in favour of foreign currency. Currency substitution, as a monetary phenomenon, is widely spread in Latin American, Eastern European and some Asian countries. This paper is dedicated to the influence of currency substitution on exchange rate volatility in Serbia. The research included testing of three hypotheses: (i currency substitution positively affects depreciation rate volatility, (ii depreciation rate volatility has stronger responses to the past negative than to the past positive depreciation shocks, and (iii currency substitution positively affects expected depreciation rate. The analysis was implemented for the period 2002:m1-2015:m12 (2004:m1- 2015:m12, applying modified EGARCH-M model. Based on the obtained results, all three hypotheses have been supremely rejected regardless of the manner of quantification of currency substitution.

A test of the substitution-habitat hypothesis in amphibians.

Science.gov (United States)

Martínez-Abraín, Alejandro; Galán, Pedro

2017-12-08

Most examples that support the substitution-habitat hypothesis (human-made habitats act as substitutes of original habitat) deal with birds and mammals. We tested this hypothesis in 14 amphibians by using percentage occupancy as a proxy of habitat quality (i.e., higher occupancy percentages indicate higher quality). We classified water body types as original habitat (no or little human influence) depending on anatomical, behavioral, or physiological adaptations of each amphibian species. Ten species had relatively high probabilities (0.16-0.28) of occurrence in original habitat, moderate probability of occurrence in substitution habitats (0.11-0.14), and low probability of occurrence in refuge habitats (0.05-0.08). Thus, the substitution-habitat hypothesis only partially applies to amphibians because the low occupancy of refuges could be due to the negligible human persecution of this group (indicating good conservation status). However, low occupancy of refuges could also be due to low tolerance of refuge conditions, which could have led to selective extinction or colonization problems due to poor dispersal capabilities. That original habitats had the highest probabilities of occupancy suggests amphibians have a good conservation status in the region. They also appeared highly adaptable to anthropogenic substitution habitats. © 2017 Society for Conservation Biology.

Physico-chemical studies of the experimental and theoretical properties of organic nonlinear optical material 4-chloro-4'methoxy benzylideneaniline

Science.gov (United States)

George, Merin; John, Nimmy L.; Saravana Kumar, M.; Subashini, A.; Sajan, D.

2017-01-01

The FT-IR, FT-Raman and UV-visible spectral analysis of 4-chloro 4'-methoxy benzylidene aniline were done experimentally and interpreted with the aid of normal coordinate analysis based on density functional theory (DFT) at the B3LYP/6-311++G (d, p) level of theory. Natural Bond orbital analysis was performed to understand the charge transfer interactions and reactive sites within the system. HOMO-LUMO analysis and first static and dynamic hyperpolarizability calculations were carried out in order to confirm the NLO activity of CMOBA. Photophysical characterization was done to understand the fluorescence emission and lifetime of CMOBA leading to application in blue OLEDs. The Molecular Electrostatic Potential Map was simulated to identify the active sites for electrophilic and nucleophilic attack or the active sites of the molecule which can bind to proteins. Molecular docking analysis revealed its potential as an inhibitor for different proteins which are responsible for cancer and many inflammatory diseases such as rheumatoid arthritis, inflammatory bowel disease, Crohn's disease and psoriasis. Experimental studies of invitro antiproliferative effect by MTT assay verified the anticancer properties of CMOBA.

A New Substitution Cipher - Random-X

Directory of Open Access Journals (Sweden)

Falguni Patel

2015-08-01

Full Text Available Ciphers are the encryption methods to prepare the algorithm for encryption and decryption. The currently known ciphers are not strong enough to protect the data. A new substitution cipher Random-X that we introduce in this paper can be used for password encryption and data encryption. Random-X cipher is a unique substitution cipher which replaces the units of plaintext with triplets of letters. The beauty of this cipher is that the encrypted string of the same plain text is not always same. This makes it strong and difficult to crack. This paper covers the principle the implementation ideas and testing of Random-X cipher.

Substitution between cars within the household

DEFF Research Database (Denmark)

De Borger, Bruno; Mulalic, Ismir; Rouwendal, Jan

The purpose of this paper is to study to what extent two-car households substitute the use of their less fuel efficient car by the use of their more fuel efficient car after an increase in fuel prices. Based on a simple theoretical framework we use a large sample of detailed Danish data on two-car...... households to estimate, for each car owned by the household, own and cross-price effects of increases in fuel costs per kilometer. The empirical results point at important substitution effects, so that models that estimate responses to fuel prices on the implicit or explicit assumption of one car per...

Biomaterials in search of a meniscus substitute.

Science.gov (United States)

Rongen, Jan J; van Tienen, Tony G; van Bochove, Bas; Grijpma, Dirk W; Buma, Pieter

2014-04-01

The menisci fulfill key biomechanical functions in the tibiofemoral (knee) joint. Unfortunately meniscal injuries are quite common and most often treated by (partial) meniscectomy. However, some patients experience enduring symptoms, and, more importantly, it leads to an increased risk for symptomatic osteoarthritis. Over the past decades, researchers have put effort in developing a meniscal substitute able to prevent osteoarthritis and treat enduring clinical symptoms. Grossly, two categories of substitutes are observed: First, a resorbable scaffold mimicking biomechanical function which slowly degrades while tissue regeneration and organization is promoted. Second, a non resorbable, permanent implant which mimics the biomechanical function of the native meniscus. Numerous biomaterials with different (material) properties have been used in order to provide such a substitute. Nevertheless, a clinically applicable cartilage protecting material is not yet emerged. In the current review we provide an overview, and discuss, these different materials and extract recommendations regarding material properties for future developmental research. Copyright © 2014 Elsevier Ltd. All rights reserved.

Thermodynamic studies on charge-coupled substituted synthetic monazite

Energy Technology Data Exchange (ETDEWEB)

Rawat, D. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Phapale, S. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Mishra, R., E-mail: mishrar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Dash, S. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

2017-04-15

Phosphate-based monazite ceramic is considered worldwide as a potential crystalline host matrix for immobilization of long-lived tri- and tetra-valent actinides present in high-level nuclear waste. Monazite is chemically stable with respect to the leaching processes and has high radiation stability. The present paper describes the influence of charged coupled (Ca{sup 2+}, Th{sup 4+}) substitution in place of La{sup 3+} on thermodynamic stability of synthetic monazite ceramics. XRD-analysis of Ca, Th substituted LaPO{sub 4} viz., La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} (0 ≤ x ≤ 1) points to the formation of ideal solid-solution in the entire range of composition. However, thermodynamic analysis indicates deviation from ideal solid-solution with a minima at x = 0.25. The substituted La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} system is found to be iso-entropic and stabilized mainly by enthalpy. Enthalpies of formation as a function of Ca{sup 2+}, Th{sup 4+} substitution were analysed to provide insights into the development of thermodynamically stable nuclear waste matrix.

Implementing opioid substitution in Lebanon: Inception and challenges.

Science.gov (United States)

El-Khoury, Joseph; Abbas, Zeinab; Nakhle, Pascale E; Matar, Marie-Therese

2016-05-01

Opioid Substitution Treatment (OST) is a firmly established method of treating and managing dependence to opioids in Europe, the US and rest of the developed world. It has a solid evidence base and a positive safety track record. Dissemination of its practice, in parallel to the acceptance of harm reduction as an effective approach, is still timid in low and middle Income countries. After years of advocacy on the parts of clinicians and the voluntary sector, the government of Lebanon launched a national opioid substitution program in 2011 using buprenorphine as the substance of substitution. Lebanon is one of the first countries in the MENA region to establish such a program despite a difficult socio-political context. This paper provides the background of harm reduction efforts in the region and presents the outline of the program from inception to present date. Challenges and recommendations for the future are also discussed. The Lebanese experience with opioid substitution is encouraging so far and can be used as a template for others in the region who might be contemplating broadening the range of services available to tackle addiction to heroin and related substances. Copyright © 2016 Elsevier B.V. All rights reserved.

SO2 policy and input substitution under spatial monopoly

International Nuclear Information System (INIS)

Gerking, Shelby; Hamilton, Stephen F.

2010-01-01

Following the U.S. Clean Air Act Amendments of 1990, electric utilities dramatically increased their utilization of low-sulfur coal from the Powder River Basin (PRB). Recent studies indicate that railroads hauling PRB coal exercise a substantial degree of market power and that relative price changes in the mining and transportation sectors were contributing factors to the observed pattern of input substitution. This paper asks the related question: To what extent does more stringent SO 2 policy stimulate input substitution from high-sulfur coal to low-sulfur coal when railroads hauling low-sulfur coal exercise spatial monopoly power? The question underpins the effectiveness of incentive-based environmental policies given the essential role of market performance in input, output, and abatement markets in determining the social cost of regulation. Our analysis indicates that environmental regulation leads to negligible input substitution effects when clean and dirty inputs are highly substitutable and the clean input market is mediated by a spatial monopolist. (author)

Modified broken rice starch as fat substitute in sausages

Directory of Open Access Journals (Sweden)

Valéria Maria Limberger

2011-09-01

Full Text Available The demand for low-fat beef products has led the food industry to use fat substitutes such as modified starch. About 14% of broken rice is generated during processing. Nevertheless, this by-product contains high levels of starch; being therefore, great raw material for fat substitution. This study evaluated the applicability of chemically and physically modified broken rice starch as fat substitute in sausages. Extruded and phosphorylated broken rice was used in low-fat sausage formulation. All low-fat sausages presented about 55% reduction in the fat content and around 28% reduction in the total caloric value. Fat replacement with phosphorylated and extruded broken rice starch increased the texture acceptability of low-fat sausages, when compared to low-fat sausages with no modified broken rice. Results suggest that modified broken rice can be used as fat substitute in sausage formulations, yielding lower caloric value products with acceptable sensory characteristics.

The applied theory of energy substitution in production

International Nuclear Information System (INIS)

Thompson, Henry

2006-01-01

This paper reviews the applied theory of energy cross price partial elasticities of substitution, and presents it in a transparent fashion. It uses log linear and translog production and cost functions due to their economic properties and convenient estimating forms, but the theory applies other functional forms. The objective is to encourage increased empirical research that would deepen understanding and appreciation of energy substitution. (author)

Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi{sub 0.98}B{sub 0.02}

Energy Technology Data Exchange (ETDEWEB)

Sun, Hui, E-mail: huisun3@iflytek.com [Department of Basic Teaching, Anhui Institute of Information Technology, Wuhu, Anhui 241000 (China); Lu, Xu [College of Physics, Chongqing University, Chongqing 401331 (China); Morelli, Donald T. [Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824 (United States)

2016-07-21

Boron-added CoSi, CoSi{sub 0.98}B{sub 0.02}, possesses a very high thermoelectric power factor of 60 μW cm{sup −1} K{sup −2} at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms is intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi{sub 0.98}B{sub 0.02} has been studied. Here, we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands, while Ge substitution only shifts the Fermi level upward into the conduction band. Our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.

Nonsynonymous substitution in abalone sperm fertilization genes exceeds substitution in introns and mitochondrial DNA

Science.gov (United States)

Metz, Edward C.; Robles-Sikisaka, Refugio; Vacquier, Victor D.

1998-01-01

Strong positive Darwinian selection acts on two sperm fertilization proteins, lysin and 18-kDa protein, from abalone (Haliotis). To understand the phylogenetic context for this dramatic molecular evolution, we obtained sequences of mitochondrial cytochrome c oxidase subunit I (mtCOI), and genomic sequences of lysin, 18-kDa, and a G protein subunit. Based on mtDNA differentiation, four north Pacific abalone species diverged within the past 2 million years (Myr), and remaining north Pacific species diverged over a period of 4–20 Myr. Between-species nonsynonymous differences in lysin and 18-kDa exons exceed nucleotide differences in introns by 3.5- to 24-fold. Remarkably, in some comparisons nonsynonymous substitutions in lysin and 18-kDa genes exceed synonymous substitutions in mtCOI. Lysin and 18-kDa intron/exon segments were sequenced from multiple red abalone individuals collected over a 1,200-km range. Only two nucleotide changes and two sites of slippage variation were detected in a total of >29,000 nucleotides surveyed. However, polymorphism in mtCOI and a G protein intron was found in this species. This finding suggests that positive selection swept one lysin allele and one 18-kDa allele to fixation. Similarities between mtCOI and lysin gene trees indicate that rapid adaptive evolution of lysin has occurred consistently through the history of the group. Comparisons with mtCOI molecular clock calibrations suggest that nonsynonymous substitutions accumulate 2–50 times faster in lysin and 18-kDa genes than in rapidly evolving mammalian genes. PMID:9724763

Mass spectrometric investigation of vinyl-substituted organic boron compounds

International Nuclear Information System (INIS)

Tarielashvili, V.O.; Ordzhonikidze, K.G.; Parulava, L.P.; Vakhaniya, G.V.

1992-01-01

Mass spectrometric investigation of vinyl-substituted organic compounds was conducted. Ionization was performed by electron shock. Possibility of determining boron isotope content is all analyzed organic boron vinyl-substituted compounds by direct method is shown. This simplifies sufficiently and lowers the price of analysis, improves its accuracy and rapidity

CodonTest: modeling amino acid substitution preferences in coding sequences.

Directory of Open Access Journals (Sweden)

Wayne Delport

2010-08-01

Full Text Available Codon models of evolution have facilitated the interpretation of selective forces operating on genomes. These models, however, assume a single rate of non-synonymous substitution irrespective of the nature of amino acids being exchanged. Recent developments have shown that models which allow for amino acid pairs to have independent rates of substitution offer improved fit over single rate models. However, these approaches have been limited by the necessity for large alignments in their estimation. An alternative approach is to assume that substitution rates between amino acid pairs can be subdivided into rate classes, dependent on the information content of the alignment. However, given the combinatorially large number of such models, an efficient model search strategy is needed. Here we develop a Genetic Algorithm (GA method for the estimation of such models. A GA is used to assign amino acid substitution pairs to a series of rate classes, where is estimated from the alignment. Other parameters of the phylogenetic Markov model, including substitution rates, character frequencies and branch lengths are estimated using standard maximum likelihood optimization procedures. We apply the GA to empirical alignments and show improved model fit over existing models of codon evolution. Our results suggest that current models are poor approximations of protein evolution and thus gene and organism specific multi-rate models that incorporate amino acid substitution biases are preferred. We further anticipate that the clustering of amino acid substitution rates into classes will be biologically informative, such that genes with similar functions exhibit similar clustering, and hence this clustering will be useful for the evolutionary fingerprinting of genes.

Factor substitution and rebound effect in China’s food industry

International Nuclear Information System (INIS)

Lin, Boqiang; Xie, Xuan

2015-01-01

Highlights: • The basic information of China’s food industry is introduced in detail. • Inter-factor substitution relationship in China’s food industry is analyzed. • Direct rebound effect in the industry is measured. • Several relevant policy suggestions about energy conservation are provided. - Abstract: Energy efficiency improvement can reduce the energy consumption of an industry, and thus promote energy conservation. However, the reduction of effective energy prices caused by energy efficiency improvement will lower energy costs for enterprises, making them substitute energy for other input factors. Therefore, energy conservation brought about by efficiency improvement will be partly offset. This offset is called the energy rebound effect of an industry. This paper estimates the system of cost share equations in China’s food industry, analyzes the substitution relationship between each input factor, and calculates the direct rebound effect. The results show that: there exist substitution relationships between energy and other input factors, among which the substitution elasticity between energy and labor is the biggest, and the substitution of energy for capital dominates that of capital for energy. The direct rebound effect is approximately 34.39%, which means that about 34.39% of energy conservation caused by energy efficiency enhancement in the industry has been offset by the rebound effect. The paper proposes some policy suggestions on energy conservation according to the results of substitution relationship among input factors and the rebound effect of the industry. The policy suggestions include reducing the capital and labor costs of the food industry by decreasing financing costs of small businesses, optimizing personnel management, and rationalizing the energy pricing mechanism to form a reasonable energy price.

Resources, recycle, and substitution

International Nuclear Information System (INIS)

Wymer, R.G.

A two-fold strategy appears necessary to ensure that the resource needs of the developed and developing nations are met. First, recycle and substitution must be encouraged in those instances where they do find application. Although these measures have limited applicability, they may be of vital importance in those instances where they do apply; in any event, they buy time. Second, practical and economical technologies must be developed to exploit the lower-grade and marginal ores and the oftentimes abundant but highly refractory ores, as well as to greatly increase the recovery of secondary elements present in the ores - elements whose form and amounts in the ores make them economically unrecoverable by themselves, but which are economically recoverable as by-products. It is often the case that if these elements are not recovered during the initial mining and milling operations, they are rendered unrecoverable, in a practical sense, forever. Furthermore, they may even become environmental pollutants. Specific examples of recovery from refractory ores, by-product recovery, and recycle are given. Also, some suggestions of substitutes for important resources are tabulated

A theoretical study on 2-chloro-5-(2-hydroxyethyl-4-methoxy-6-methylpyrimidine by DFT/ab initio calculations

Directory of Open Access Journals (Sweden)

Gümüs Hacer Pir

2015-06-01

Full Text Available Quantum chemical calculations have been performed to study the molecular geometry, 1H and 13C NMR chemical shifts, conformational, natural bond orbital (NBO and nonlinear optical (NLO properties of the 2-chloro-5-(2-hydroxyethyl-4- methoxy-6-methylpyrimidine molecule in the ground state using DFT and HF methods with 6-311++G(d,p basis set. The optimized geometric parameters and 1H and 13C NMR chemical shifts have been compared with the experimental values of the title molecule. The results of the calculations show excellent agreement between the experimental and calculated frequencies at B3LYP/6-311++G(d,p level. In order to provide a full understanding of the properties of the title molecule in the context of molecular orbital picture, the highest occupied molecular energy level (EHOMO, the lowest unoccupied molecular energy level (ELUMO, the energy difference (DE between EHOMO and ELUMO, electronegativity (χ, hardness (η and softness (S have been calculated using B3LYP/6-311++G(d,p and HF/6-311++G(d,p levels. The calculated HOMO and LUMO energies show that the charge transfer occurs within the title molecule.

Convergent synthesis of 6-substituted phenanthridines via anionic ring closure

DEFF Research Database (Denmark)

Lysén, M.; Kristensen, Jesper Langgaard; Vedsø, P.

2002-01-01

Chemical equation presented The addition of organometallic derivatives to the cyano group of 2-(2-fluorophenyl)benzonitrile followed by intramolecular nucleophilic substitution produces 6-substituted phenanthridines. Alkyllithiums, aryllithiums, and sterically nondemanding lithium amides reacted ...

A Web service substitution method based on service cluster nets

Science.gov (United States)

Du, YuYue; Gai, JunJing; Zhou, MengChu

2017-11-01

Service substitution is an important research topic in the fields of Web services and service-oriented computing. This work presents a novel method to analyse and substitute Web services. A new concept, called a Service Cluster Net Unit, is proposed based on Web service clusters. A service cluster is converted into a Service Cluster Net Unit. Then it is used to analyse whether the services in the cluster can satisfy some service requests. Meanwhile, the substitution methods of an atomic service and a composite service are proposed. The correctness of the proposed method is proved, and the effectiveness is shown and compared with the state-of-the-art method via an experiment. It can be readily applied to e-commerce service substitution to meet the business automation needs.

1-Hydroxyethyl-2-Substituted Phenoxymethyl Benzimidazoles: Synthesis and Crystal Structures

International Nuclear Information System (INIS)

Wu, J.; Wang, Z.; Gu, H.; Chen, W.; Zhao, L.; Zhao, C.

2016-01-01

Five novel 1-hydroxyethyl-2-substituted phenoxymethyl benzimidazoles c1-c5 were successfully synthesized by a three-step route. Firstly, five substituted phenoxymethyl acids a1-a5 were prepared by the O-carboxymethylation reaction of the starting substituted phenols under microwave irradiation. Then, these compounds reacted with o-phenylendiamine to get the key intermediates 2-substituted phenoxymethyl benzimidazoles b1-b5. At last, the target compounds were synthesized by the N-hydroxyethylation reaction of b1-b5 with 2-chloroethyl alcohol through the solid-liquid phase transfer catalysis method, where tetrabutyl ammonium bromide (TBAB) was used as the catalyst. The structures of the target compounds were well characterized and verified by elemental analysis, MS, IR, 1H NMR, 13C NMR and single crystal X-ray diffraction analysis. (author)

Story of skeletally substituted benzenes

Indian Academy of Sciences (India)

Unknown

values are extensively used to define aromaticity quantitatively.3 In a recent study on ... studies were directed to unravel the subtle ways in which the stability, reactivity, and ..... The singlet–triplet gaps of all the skeletally substituted benzenes ...

49 CFR 383.77 - Substitute for driving skills tests.

Science.gov (United States)

2010-10-01

... 49 Transportation 5 2010-10-01 2010-10-01 false Substitute for driving skills tests. 383.77... Substitute for driving skills tests. At the discretion of a State, the driving skill test as specified in... acceptable skills test, or an applicant's driving record in combination with certain driving experience. The...

The Chapman-type rearrangement in pseudosaccharins: The case of 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide

Science.gov (United States)

Kaczor, A.; Proniewicz, L. M.; Almeida, R.; Gómez-Zavaglia, A.; Cristiano, M. L. S.; Matos Beja, A. M.; Ramos Silva, M.; Fausto, R.

2008-12-01

The thermal Chapman-type rearrangement of the pseudosaccharin 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (MBID) into 2-methyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide (MBIOD) was investigated on the basis of computational models and knowledge of the structure of the reactant and product in the isolated and solid phases. X-ray diffraction was used to obtain the structure of the substrate in the crystalline phase, providing fundamental structural data for the development of the theoretical models used to investigate the reaction mechanism in the condensed phase. The intra- and different intermolecular mechanisms were compared on energetic grounds, based on the various developed theoretical models of the rearrangement reactions. The energetic preference ( ca. 3.2 kJ mol -1, B3LYP/6-31+G(d,p)) of inter- over intramolecular transfer of the methyl group is predicted for the " quasi-simultaneous" transfer of the methyl groups model, explaining the potential of MBID towards [1,3']-isomerization to MBIOD in the condensed phases. The predicted lower energy of MBIOD relative to MBID ( ca. 60 kJ mol -1), due to the lower steric hindrance in the MBIOD molecule, acts as a molecular motor for the observed thermal rearrangement.

Synthesis and characterization of thermosensitive poly(organophosphazenes) with methoxy-poly(ethylene glycol) and alkylamines as side groups

International Nuclear Information System (INIS)

Lee, Bae Hoon; Song, Soo Chang; Lee, Young Moo; Sohn, Youn Soo

2002-01-01

Thermosensitive poly(organophosphazenes) bearing methoxy-poly(ethylene glycon) (MPEG) and alkylamine as substituents have been synthesized and characterized by elemental analysis, NMR spectroscopy, GPC, and DSC. All the polymers exhibited crystallinity, which was probably induced by the MPEG side chain of the polymers. All the polymers exhibited the lower critical solution temperature (LCSTs) in the range of 28 to 94 .deg. C depending on several factors such as mole ratio of the substituents, kinds of PEG and alkylamines. The higher content of MPEG and shorter chain length of alkylamines of the polymers afforded the higher LCST. The LCSTs of the polymers exhibited almost concentration-independent behavior in the range of 3-30 wt % of the polymers in aqueous solutions. The polymers showed the higher LCSTs in the acidic solutions than in the neutral and basic solutions. The ionic strength of the polymer solution affected the LCST,which decreased with increased NaCl concentration. The polymer bearing almost equimolar substituents with the -N-P-N unit has shown the LCST more sensitive to NaCl and pH than that with the -N-P-O- unit. The polymers were found to degrade in acidic solution but be very stable in alkali solution as well as in the buffer solution of pH 7.4

Immobilized laccase-based biosensor for the detection of disubstituted methyl and methoxy phenols - application of Box-Behnken design with response surface methodology for modeling and optimization of performance parameters.

Science.gov (United States)

Sarika, C; Rekha, K; Narasimha Murthy, B

2016-11-01

An amperometric principle-based biosensor, employing immobilized laccase enzyme from Trametes versicolor, was developed for the detection of disubstituted methyl and methoxy phenols. Three immobilization methods such as entrapment, cross-linking, and co-cross-linking, with bovine serum albumin (BSA) on nylon membrane have been compared. Among tested methods of immobilization, co-cross-linking method with BSA was superior to the other methods in terms of; sensitivity, limit of detection, response time, and operating stability. The increased sensitivity of the probe optimization of concentrations of laccase, BSA and glutaraldehyde can be achieved by, employing the Box-Behnken design of experiment.

Managing demand uncertainty: probabilistic selling versus inventory substitution

OpenAIRE

Zhang, Y.; Hua, Guowei; Wang, Shouyang; Zhang, Juliang; Fernández Alarcón, Vicenç

2018-01-01

Demand variability is prevailing in the current rapidly changing business environment, which makes it difficult for a retailer that sells multiple substitutable products to determine the optimal inventory. To combat demand uncertainty, both strategies of inventory substitution and probabilistic selling can be used. Although the two strategies differ in operation, we believe that they share a common feature in combating demand uncertainty by encouraging some customers to give up some specific ...

Cation substitution induced blue-shift of optical band gap

Indian Academy of Sciences (India)

Cation substitution induced blue-shift of optical band gap in nanocrystalline Zn ( 1 − x ) Ca x O thin films deposited by sol–gel dip coating technique ... thin films giving 13.03% enhancement in theenergy gap value due to the electronic perturbation caused by cation substitution as well as deterioration in crystallinity.

Toxicological evaluation of 5-methoxy-2-aminoindane (MEAI): Binge mitigating agent in development

Energy Technology Data Exchange (ETDEWEB)

Shimshoni, Jakob A., E-mail: jakobshimshoni@gmail.com [Kimron Veterinary Institute, Department of Toxicology, Bet Dagan (Israel); Winkler, Ilan [Pharmaseed Ltd, Ness Ziona (Israel); Edery, Nir [Kimron Veterinary Institute, Department of Pathology, Bet Dagan (Israel); Golan, Ezekiel; Wettum, René van [BSC BV Company, Veemarkt 61, Amsterdam (Netherlands); Nutt, David [Imperial College London, Neuropsychopharmacology Unit, London (United Kingdom)

2017-03-15

5-Methoxy-2-aminoindane (MEAI) is a psychoactive compound of the aminoindane class, which in recent years has been recreationally used by many people, who reported of a mild euphoric, alcohol-like tipsy experience and reduced desire to consume alcoholic beverages. In the light of these observations it was decided to progress MEAI through a preliminary drug development route and evaluate the acute and subacute toxicity of MEAI administrated orally to Sprague Dawley rats, as well as to determine potential in-vitro cytotoxic and mutagenic effects using state-of-the-art protocols. Furthermore, the interaction of MEAI at the highest non-toxic concentration (100 mg/L) with ethanol at cytotoxic levels of 6% and 7.5% was explored, in order to identify possible additive or synergistic effects. MEAI showed a good safety profile in rats at 10 and 30 mg/kg body weight, corresponding to the human doses of 1.6 mg/kg and 4.8 mg/kg body weight, respectively. Cytotoxic effect was demonstrated using concentrations of 500 and 1000 mg/L with calculated IC{sub 50} value of 368.2 mg/L for rat brain striatum primary neurons and 403.1 mg/L for human primary healthy hepatocytes. The combination of 6% or 7.5% ethanol with 100 mg/L MEAI revealed no statistically significant increase of cytotoxic effect. Further studies, especially long term chronic and addictive behavior studies, are required in-order to assess MEAI safety profile. - Highlights: • Single oral administration of MEAI (10 mg/kg) to rats was well tolerated. • Five-day oral administration of MEAI (30 mg/kg) to rats was well tolerated. • Low cytotoxicity was observed in the in vitro cytotoxicity assays. • Ethanol-MEAI mixtures induced no synergistic/additive neurotoxicity.

Toxicological evaluation of 5-methoxy-2-aminoindane (MEAI): Binge mitigating agent in development

International Nuclear Information System (INIS)

Shimshoni, Jakob A.; Winkler, Ilan; Edery, Nir; Golan, Ezekiel; Wettum, René van; Nutt, David

2017-01-01

5-Methoxy-2-aminoindane (MEAI) is a psychoactive compound of the aminoindane class, which in recent years has been recreationally used by many people, who reported of a mild euphoric, alcohol-like tipsy experience and reduced desire to consume alcoholic beverages. In the light of these observations it was decided to progress MEAI through a preliminary drug development route and evaluate the acute and subacute toxicity of MEAI administrated orally to Sprague Dawley rats, as well as to determine potential in-vitro cytotoxic and mutagenic effects using state-of-the-art protocols. Furthermore, the interaction of MEAI at the highest non-toxic concentration (100 mg/L) with ethanol at cytotoxic levels of 6% and 7.5% was explored, in order to identify possible additive or synergistic effects. MEAI showed a good safety profile in rats at 10 and 30 mg/kg body weight, corresponding to the human doses of 1.6 mg/kg and 4.8 mg/kg body weight, respectively. Cytotoxic effect was demonstrated using concentrations of 500 and 1000 mg/L with calculated IC 50 value of 368.2 mg/L for rat brain striatum primary neurons and 403.1 mg/L for human primary healthy hepatocytes. The combination of 6% or 7.5% ethanol with 100 mg/L MEAI revealed no statistically significant increase of cytotoxic effect. Further studies, especially long term chronic and addictive behavior studies, are required in-order to assess MEAI safety profile. - Highlights: • Single oral administration of MEAI (10 mg/kg) to rats was well tolerated. • Five-day oral administration of MEAI (30 mg/kg) to rats was well tolerated. • Low cytotoxicity was observed in the in vitro cytotoxicity assays. • Ethanol-MEAI mixtures induced no synergistic/additive neurotoxicity.

Synthesis, DFT band structure calculations, optical and photoelectrical characterizations of the novel 5-hydroxy-4-methoxy-7-oxo-7H-furo[3,2-g]chromene-6-carbonitrile (HMOFCC)

Science.gov (United States)

Ibrahim, Magdy A.; Halim, Shimaa Abdel; Roushdy, N.; Farag, A. A. M.; El-Gohary, Nasser M.

2017-11-01

Reaction of 4-methoxy-5-oxo-5H-furo[3,2-g]chromene-6-carboxaldehyde (1) with hydroxylamine hydrochloride resulted in ring transformation producing the novel 5-hydroxy-4-methoxy-7-oxo-7H-furo[3,2-g]chromene-6-carbonitrile (HMOFCC). The structure was deduced based on its correct elemental analysis and spectral data (IR, 1H NMR, 13C NMR and mass spectra). The geometries of the HMOFCC were completely optimized by means of DFT-B3LYP/6-311++G (d,p) theoretical level. The ground state properties such as; total energy, the energy of HOMO and LUMO and Mulliken atomic charges were also determined. In addition, the two solvents; polar (methanol) and nonpolar (dioxane) were utilized to extract the electronic absorption spectra. The assignment of the detected bands was discussed by TD-DFT calculations. A cauliflower-like, as well as, needle-like leaves morphologies were observed using scanning electron microscope images. Two direct optical band gaps were extracted from the photon energy dependence of absorption coefficient at the band edges and found to be 1.16 and 2.56 eV. A characteristic emission peak of photoluminescence spectrum was observed and shifted depending on the solvent type. A remarkable rectification characteristic of HMOFCC/p-Si heterojunction confirms the diode-like behavior. The main important parameters like series resistance, shunt resistance and reverse saturation current show illumination dependence under influence of the illumination intensity range 20-100 mW/cm2. The heterojunction based HMOFCC showed phototransient properties under various illumination intensities which give the recommendation for the studied heterojunction in the field of optoelectronic device application.

Osseointegration of subperiosteal implants using bovine bone substitute and various membranes

DEFF Research Database (Denmark)

Aaboe, Merete; Schou, S.; Hjørting-Hansen, E.

2000-01-01

Osseointegration, subperiosteal implant, bone substitute, bovine bone, guided bone, regeneration, histology, rabbits......Osseointegration, subperiosteal implant, bone substitute, bovine bone, guided bone, regeneration, histology, rabbits...

Novel synthesis and characterization of an AB-type carbonate-substituted hydroxyapatite.

Science.gov (United States)

Gibson, Iain R; Bonfield, William

2002-03-15

A novel synthesis route has been developed to produce a high-purity mixed AB-type carbonate-substituted hydroxyapatite (CHA) with a carbonate content that is comparable to the type and level observed in bone mineral. This method involves the aqueous precipitation in the presence of carbonate ions in solution of a calcium phosphate apatite with a Ca/P molar ratio greater than the stoichiometric value of 1.67 for hydroxyapatite (HA). The resulting calcium-rich carbonate-apatite is sintered/heat-treated in a carbon dioxide atmosphere to produce a single-phase, crystalline carbonate-substituted hydroxyapatite. In contrast to previous methods for producing B- or AB-type carbonate-substituted hydroxyapatites, no sodium or ammonium ions, which would be present in the reaction mixture from the sodium or ammonium carbonates commonly used as a source of carbonate ions, were present in the final product. The chemical and phase compositions of the carbonate-substituted hydroxyapatite was characterized by X-ray fluorescence and X-ray diffraction, respectively, and the level and nature of the carbonate substitution were studied using C-H-N analysis and Fourier transform infrared spectroscopy, respectively. The carbonate substitution improves the densification of hydroxyapatite and reduces the sintering temperature required to achieve near-full density by approximately 200 degrees C compared to stoichiometric HA. Initial studies have shown that these carbonate-substituted hydroxyapatites have improved mechanical and biologic properties compared to stoichiometric hydroxyapatite. Copyright 2001 John Wiley & Sons, Inc. J Biomed Mater Res 59: 697-708, 2002

Amino acid substitutions in random mutagenesis libraries: lessons from analyzing 3000 mutations.

Science.gov (United States)

Zhao, Jing; Frauenkron-Machedjou, Victorine Josiane; Kardashliev, Tsvetan; Ruff, Anna Joëlle; Zhu, Leilei; Bocola, Marco; Schwaneberg, Ulrich

2017-04-01

The quality of amino acid substitution patterns in random mutagenesis libraries is decisive for the success in directed evolution campaigns. In this manuscript, we provide a detailed analysis of the amino acid substitutions by analyzing 3000 mutations of three random mutagenesis libraries (1000 mutations each; epPCR with a low-mutation and a high-mutation frequency and SeSaM-Tv P/P) employing lipase A from Bacillus subtilis (bsla). A comparison of the obtained numbers of beneficial variants in the mentioned three random mutagenesis libraries with a site saturation mutagenesis (SSM) (covering the natural diversity at each amino acid position of BSLA) concludes the diversity analysis. Seventy-six percent of the SeSaM-Tv P/P-generated substitutions yield chemically different amino acid substitutions compared to 64% (epPCR-low) and 69% (epPCR-high). Unique substitutions from one amino acid to others are termed distinct amino acid substitutions. In the SeSaM-Tv P/P library, 35% of all theoretical distinct amino acid substitutions were found in the 1000 mutation library compared to 25% (epPCR-low) and 26% (epPCR-high). Thirty-six percent of distinct amino acid substitutions found in SeSaM-Tv P/P were unobtainable by epPCR-low. Comparison with the SSM library showed that epPCR-low covers 15%, epPCR-high 18%, and SeSaM-Tv P/P 21% of obtainable beneficial amino acid positions. In essence, this study provides first insights on the quality of epPCR and SeSaM-Tv P/P libraries in terms of amino acid substitutions, their chemical differences, and the number of obtainable beneficial amino acid positions.

26 CFR 601.505 - Revocation, change in representation and substitution or delegation of representative.

Science.gov (United States)

2010-04-01

... authorizes the substitution or delegation. An employee of a recognized representative may not be substituted... substitution or delegation of representative. 601.505 Section 601.505 Internal Revenue INTERNAL REVENUE SERVICE... Practice Requirements § 601.505 Revocation, change in representation and substitution or delegation of...

Antioxidative and antiradical properties of plant phenolics.

Science.gov (United States)

Sroka, Zbigniew

2005-01-01

The plant phenolic compounds such as flavonoids, tannins and phenolic acids appeared to be strong antiradical and antioxidant compounds. The number of hydroxy groups and the presence of a 2,3-double bond and orthodiphenolic structure enhance antiradical and antioxidative activity of flavonoids. The glycosylation, blocking the 3-OH group in C-ring, lack of a hydroxy group or the presence of only a methoxy group in B-ring have a decreasing effect on antiradical or antioxidative activity of these compounds. Tannins show strong antioxidative properties. Some tannins in red wine or gallate esters were proved to have antioxidative effect in vivo. The number of hydroxy groups connected with the aromatic ring, in ortho or para position relative to each other, enhance antioxidative and antiradical activity of phenolic acids. The substitution of a methoxy group in ortho position to the OH in monophenols seems to favour the antioxidative activity of the former.

Domino approach to 2-aroyltrimethoxyindoles as novel heterocyclic combretastatin A4 analogues.

Science.gov (United States)

Arthuis, Martin; Pontikis, Renée; Chabot, Guy G; Quentin, Lionel; Scherman, Daniel; Florent, Jean-Claude

2011-01-01

Two series of 2-aroyltrimethoxyindoles were designed to investigate the effects of the replacement of the trimethoxyphenyl ring of phenstatin with a trimethoxyindole moiety. These compounds were efficiently prepared through a domino palladium-catalyzed sequence from 2-gem-dibromovinylanilines substituted by three methoxy groups and arylboronic acids under carbon monoxide atmosphere. These novel heterocyclic combretastatin A4 analogues were evaluated for their cell growth inhibitory properties and their ability to inhibit the tubulin polymerization. Copyright © 2010 Elsevier Masson SAS. All rights reserved.

3-Hydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-ylmethyl]-5,5-dimethylcyclohex-2-en-1-one

Directory of Open Access Journals (Sweden)

Xiao-Hui Yang

2011-02-01

Full Text Available In the title compound, C25H32O7, the 3-hydroxy-5,5-dimethylcyclohex-2-enone rings adopt slightly distorted envelope conformations with the two planes at the base of the envelope forming dihedral angles of 57.6 (4 and 53.9 (9° with the benzene ring. There is an intramolecular hydroxy–ketone O—H...O interaction between the two substituted cyclohexane rings as well as a short intramolecular phenol–methoxy O—H...O interaction.

Directed ortho metalation-based methodology. Halo-, nitroso-, and boro-induced ipso-desilylation. Link to an in situ Suzuki reaction.

Science.gov (United States)

Zhao, Zhongdong; Snieckus, Victor

2005-06-23

[reaction: see text] Treatment of DoM-derived silylated aromatics 2-4 under standard electrophilic halogenation conditions cleanly affords ipso-desilyation products 5-7, while nitration of methoxy-substituted analogues 8, 9 leads to non-ipso isomers 10, 12 and 11, 13, controlled by a silicon steric effect. Sequential ipso-borodesilylation of 2a, 3a, and 20 followed by treatment with aryl halides under Pd-catalyzed conditions constitutes an in situ Suzuki-Miyaura cross-coupling protocol to biaryls and heterobiaryls 23.

Generation time, life history and the substitution rate of neutral mutations.

Science.gov (United States)

Lehtonen, Jussi; Lanfear, Robert

2014-11-01

Our understanding of molecular evolution is hampered by a lack of quantitative predictions about how life-history (LH) traits should correlate with substitution rates. Comparative studies have shown that neutral substitution rates vary substantially between species, and evidence shows that much of this diversity is associated with variation in LH traits. However, while these studies often agree, some unexplained and contradictory results have emerged. Explaining these results is difficult without a clear theoretical understanding of the problem. In this study, we derive predictions for the relationships between LH traits and substitution rates in iteroparous species by using demographic theory to relate commonly measured life-history traits to genetic generation time, and by implication to neutral substitution rates. This provides some surprisingly simple explanations for otherwise confusing patterns, such as the association between fecundity and substitution rates. The same framework can be applied to more complex life histories if full life-tables are available. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Currency Substitution and The Law of One Price

OpenAIRE

Gabriele Camera; Johannes Winkler

2000-01-01

We study endogenous currency substitution in a decentralized trade environment. Sellers maximize profits from sales of imperfectly substitutable goods by posting prices in either one of two currencies. A unique symmetric equilibrium exists where goods are priced only in the local currency. This occurs if foreign trade is sporadic, there is sufficient but not excessive liquidity, and discounting is low. Excess or scarcity of liquidity, however, induces sellers to extract all surplus from buyer...

Bone healing and bone substitutes.

Science.gov (United States)

Costantino, Peter D; Hiltzik, David; Govindaraj, Satish; Moche, Jason

2002-02-01

With the advent of new biomaterials and surgical techniques, the reconstructive surgeon has a wider range of treatment modalities for the rehabilitation and reconstruction of craniofacial skeletal deformities than ever before. These innovative substances act as true bone graft substitutes, thereby allowing the surgeon to avoid the use of autogenous bone grafts and their associated donor site morbidity. Surgeons have long been interested in producing a composite graft that can heal faster by induction, incorporate with surrounding tissues, and be remodeled to resemble native bone. Currently, there are a host of bone graft substitutes available that vary in both their composition and properties. Craniomaxillofacial surgeons must therefore become comfortable with numerous biomaterials to best tailor the treatment for each patient individually. Ongoing investigations into the next phase of tissue engineering will continue to bring us closer to the ability to regenerate or replace bone.

Substituting oil by electric power

International Nuclear Information System (INIS)

Lichtenberg, H.

1981-01-01

Parting from the development of primary energy use the author refers to the latest investigations and results presented on the 1980 World Energy Conference and with special regard to oil points out the threatening exhaustion of fossil energy resources. Maintaining the economic structure of the Federal Republic of Germany implies an orientation away from oil. Due to its flexible application technology and quasi-inexhaustible energy resources electric power may substantially contribute to oil substitution which as a matter of fact is of particular interest in connection with the heat market. Coal alone cannot substitute both oil and nuclear energy. Thus, the above postulates the use of the latter. Leaving nuclear energy inactive today will effect an increase in the demand for oil the negative consequences of which would weight heavily upon the anyhow unbalanced import/export ratio of the Federal Republic of Germany. (orig.) [de

Stochastic demography and the neutral substitution rate in class-structured populations.

Science.gov (United States)

Lehmann, Laurent

2014-05-01

The neutral rate of allelic substitution is analyzed for a class-structured population subject to a stationary stochastic demographic process. The substitution rate is shown to be generally equal to the effective mutation rate, and under overlapping generations it can be expressed as the effective mutation rate in newborns when measured in units of average generation time. With uniform mutation rate across classes the substitution rate reduces to the mutation rate.

Synthesis and application of trifluoroethoxy-substituted phthalocyanines and subphthalocyanines

Directory of Open Access Journals (Sweden)

Satoru Mori

2017-10-01

Full Text Available Phthalocyanines and subphthalocyanines are attracting attention as functional dyes that are applicable to organic solar cells, photodynamic therapy, organic electronic devices, and other applications. However, phthalocyanines are generally difficult to handle due to their strong ability to aggregate, so this property must be controlled for further applications of phthalocyanines. On the other hand, trifluoroethoxy-substituted phthalocyanines are known to suppress aggregation due to repulsion of the trifluoroethoxy group. Furthermore, the electronic characteristics of phthalocyanines are significantly changed by the strong electronegativity of fluorine. Therefore, it is expected that trifluoroethoxy-substituted phthalocyanines can be applied to new industrial fields. This review summarizes the synthesis and application of trifluoroethoxy-substituted phthalocyanine and subphthalocyanine derivatives.

Association of Dietary Proportions of Macronutrients with Visceral Adiposity Index: Non-Substitution and Iso-Energetic Substitution Models in a Prospective Study.

Science.gov (United States)

Moslehi, Nazanin; Ehsani, Behnaz; Mirmiran, Parvin; Hojjat, Parvane; Azizi, Fereidoun

2015-10-26

We aimed to investigate associations between dietary macronutrient proportions and prospective visceral adiposity index changes (ΔVAI). The study included 1254 adults (18-74 years), from the Tehran Lipid and Glucose Study (TLGS), who were followed for three years. Dietary intakes were assessed twice using food frequency questionnaires. Associations of dietary macronutrient with ΔVAI and risk of visceral adiposity dysfunction (VAD) after three years were investigated. The percentage of energy intake from protein in the total population, and from fat in women, were associated with higher increases in VAI. A 5% higher energy intake from protein substituted for carbohydrate, monounsaturated fatty acids (MUFAs), and polyunsaturated fatty acids (PUFAs) was associated with higher ΔVAI. Higher energy intake from animal protein substituted for PUFAs was positively associated with ΔVAI. Substituting protein and PUFAs with MUFAs were related to higher ΔVAI. The associations were similar in men and women, but reached significance mostly among women. Risk of VAD was increased when 1% of energy from protein was replaced with MUFAs. Substituting protein for carbohydrate and fat, and fat for carbohydrate, resulted in increased risk of VAD in women. Higher dietary proportions of protein and animal-derived MUFA may be positively associated with ΔVAI and risk of VAD.

Capital-Energy Substitution and Shifts in Factor Demand. A Meta-Analysis

Energy Technology Data Exchange (ETDEWEB)

Koetse, M.J. [Department of Spatial Economics, Vrije Universiteit Amsterdam (Netherlands); De Groot, Henri L.F. [Tinbergen Institute, Amsterdam (Netherlands); Florax, R.J.G.M. [Department of Agricultural Economics, Purdue University, West Lafayette (United States)

2006-07-01

This paper presents results of a meta-regression analysis on empirical estimates of capital-energy substitution. Theoretically it is clear that a distinction should be made between Morishima substitution elasticities and cross-price elasticities. The former represent purely technical substitution possibilities while the latter include an income effect and therefore represent economic substitution potential. We estimate a meta-regression model with separate coefficients for the two elasticity samples. Our findings suggest that primary model assumptions on returns to scale, technological change and separability of input factors matter for the outcome of a primary study. Aggregation of variables and the type of data used in empirical research are also relevant sources of systematic effect-size variation. Taking these factors into consideration, we compute ideal-typical elasticities for the short, medium and long run. The resulting figures clearly show that substitution elasticities are substantially higher than cross price elasticities. Therefore, despite considerable technical opportunities for capital-energy substitution, they are almost entirely outweighed by the negative income effect brought about by energy price increases; the short and medium run cross price elasticities are not statistically different from zero. In the long run this pattern does not hold. Our findings therefore suggest that actual changes in the demand for capital due to energy price increases take time.

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...

Carbonate hydroxyapatite and silicon-substituted carbonate hydroxyapatite

DEFF Research Database (Denmark)

Bang, L T; Long, B D; Othman, R

2014-01-01

The present study investigates the chemical composition, solubility, and physical and mechanical properties of carbonate hydroxyapatite (CO3Ap) and silicon-substituted carbonate hydroxyapatite (Si-CO3Ap) which have been prepared by a simple precipitation method. X-ray diffraction (XRD), Fourier......(3-)) site and also entered simultaneously into the hydroxyapatite structure. The Si-substituted CO3Ap reduced the powder crystallinity and promoted ion release which resulted in a better solubility compared to that of Si-free CO3Ap. The mean particle size of Si-CO3Ap was much finer than that of CO3Ap...

Characterization of hydroxyapatite substituted with silicon

International Nuclear Information System (INIS)

Silva, H.M. da; Soares, G.A.; Mateescu, M.; Anselme, K.; Palard, M.; Champion, E.

2009-01-01

Incorporation of silicon (Si) ions into hydroxyapatite structure (HA) influences on physical, chemical and physiological properties. Some studies reported the improved bioactivity Si substitution, and it also accelerates the biomineralization process. The main objective of this work is to characterize stoichiometric hydroxyapatite and hydroxyapatite substituted with 1.13% in weight of Si (SiHA) using a wet precipitation method followed by a heat treatment. SEM/EDS, AFM, DRX and FTIR analyses were used to characterize the samples. EDS and FTIR results confirmed the presence of Si. Silicon induces small changes on crystal structure of HA, not detected on X-ray diffraction patterns of sintered tablets of SiHA and HA. No secondary phases were observed, that indicates the Si had entered the HA lattice. (author)

Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines

Energy Technology Data Exchange (ETDEWEB)

Booth, Corwin H.; Kazhdan, Daniel; Werkema, Evan L.; Walter, Marc D.; Lukens, Wayne W.; Bauer, Eric D.; Hu, Yung-Jin; Maron, Laurent; Eisenstein, Odile; Head-Gordon, Martin; Andersen, Richard A.

2011-01-25

Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2} Yb(Me{sub x}-bipy). In contrast to Cp*{sub 2} Yb(bipy) and other substituted-bipy complexes, the nature of both the ground state and the first excited state are altered by changing the position of the methyl or dimethyl substitutions on the bipyridine rings. In particular, certain substitutions result in multiconfigurational, intermediate valent open-shell singlet states in both the ground state and the first excited state. These conclusions are reached after consideration of single-crystal x-ray diffraction (XRD), the temperature dependence of x-ray absorption near-edge structure (XANES), extended x-ray absorption fine-structure (EXAFS), and magnetic susceptibility data, and are supported by CASSCF-MP2 calculations. These results place the various Cp*{sub 2}Yb(bipy) complexes in a new tautomeric class, that is, intermediate-valence tautomers.

The elasticity of substitution of superlative price indices

OpenAIRE

Petter Frenger

2005-01-01

Abstract: The paper presents a method for computing the curvature implicit in the use of superlative price indices. It extends the quadratic lemma and allows us to compute the elasticity of substitution of the underlying preferences in the direction of the observed price change for the Törnqvist and the quadratic mean of order r indices. It derives the expressions for the directional shadow elasticity of substitution and applies the results to the Norwegian CPI data base. Ke...

Tunable ferromagnetic resonance in La-Co substituted barium hexaferrites at millimeter wave frequencies

Science.gov (United States)

Korolev, Konstantin A.; Wu, Chuanjian; Yu, Zhong; Sun, Ke; Afsar, Mohammed N.; Harris, Vincent G.

2018-05-01

Transmittance measurements have been performed on La-Co substituted barium hexaferrites in millimeter waves. Broadband millimeter-wave measurements have been carried out using the free space quasi-optical spectrometer, equipped with a set of high power backward wave oscillators covering the frequency range of 30 - 120 GHz. Strong absorption zones have been observed in the millimeter-wave transmittance spectra of all La-Co substituted barium hexaferrites due to the ferromagnetic resonance. Linear shift of ferromagnetic resonance frequency as functions of La-Co substitutions have been found. Real and imaginary parts of dielectric permittivity of La-Co substituted barium hexaferrites have been calculated using the analysis of recorded high precision transmittance spectra. Frequency dependences of magnetic permeability of La-Co substituted barium hexaferrites, as well as saturation magnetization and anisotropy field have been determined based on Schlömann's theory for partially magnetized ferrites. La-Co substituted barium hexaferrites have been further investigated by DC magnetization to assess magnetic behavior and compare with millimeter wave data. Consistency of saturation magnetization determined independently by both millimeter wave absorption and DC magnetization have been found for all La-Co substituted barium hexaferrites. These materials seem to be quite promising as tunable millimeter wave absorbers, filters, circulators, based on the adjusting of their substitution parameters.

The Use of Substitutes - Continuity and the-Group-as-a-Whole

DEFF Research Database (Denmark)

Nielsen, Jan; Thygesen, Bente; Aagaard, Søren

2009-01-01

of continuity, i.e. the self- sustaining power of the group and the limits of this is illustrated and discussed in connection with planned versus unplanned substitute periods, showing the importance of preparation when the therapist has to be away, and a substitute is used. Key words: substitute, locum......, continuity, conductor, leadership, group-as-a-whole...

Muonium substituted molecules

International Nuclear Information System (INIS)

Cox, S.F.J.

1990-12-01

The manner in which Muon Spin Rotation and Level Crossing Resonance are used to characterise muonium substituted organic radicals is described, and illustrated with spectra for the ethyl radical and related species. Comparison with electron spin resonance data for the unsubstituted radicals reveals significant structural and hyperfine isotope effects which can be traced to the effects of zero point motion. The first comparable results for a diamagnetic species, exhibiting a quadrupole isotope effect by comparison with conventional nuclear quadrupole resonance data, are presented and discussed. (author)

40 CFR 721.3810 - Formaldehyde, polymers with substituted phenols (generic).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Formaldehyde, polymers with... New Uses for Specific Chemical Substances § 721.3810 Formaldehyde, polymers with substituted phenols... identified generically as Formaldehyde, polymers with substituted phenols (PMN P-99-0558) is subject to...

Behavioral service substitution (Chapter 9)

NARCIS (Netherlands)

Stahl, C.; Aalst, van der W.M.P.; Bouguettaya, A.; Sheng, Q.Z.; Daniel, F.

2014-01-01

Service-oriented design supports system evolution and encourages reuse and modularization. A key ingredient of service orientation is the ability to substitute one service by another without reconfiguring the overall system. This chapter aims to give an overview of the state of the art and open

Laser ablation of Bi-substituted gadolinium iron garnet films

International Nuclear Information System (INIS)

Watanabe, N.; Hayashida, K.; Kawano, K.; Higuchi, K.; Ohkoshi, M.; Tsushima, K.

1995-01-01

Bi-substituted gadolinium iron garnet films were deposited by laser ablation. The composition, the structure and the magnetic properties of the films were found to be strongly dependent both on the compositions of the targets and on the pressure of oxygen. The highest values of Bi-substitution up to x=1.44 with uniform composition were obtained, after annealing in air. ((orig.))

Tissue reaction and material characteristics of four bone substitutes

DEFF Research Database (Denmark)

Jensen, S S; Aaboe, M; Pinholt, E M

1996-01-01

and Interpore 500 HA/CC) were implanted into 5-mm bur holes in rabbit tibiae. There was no difference in the amount of newly formed bone around the four biomaterials. Interpore 500 HA/CC resorbed completely, whereas the other three biomaterials did not undergo any detectable biodegradation. Bio......The aim of the present study was to qualitatively and quantitatively compare the tissue reactions around four different bone substitutes used in orthopedic and craniofacial surgery. Cylinders of two bovine bone substitutes (Endobon and Bio-Oss) and two coral-derived bone substitutes (Pro Osteon 500......-Oss was osseointegrated to a higher degree than the other biomaterials. Material characteristics obtained by diffuse reflectance infrared Fourier transform spectrometry analysis and energy-dispersive spectrometry did not explain the differences in biologic behavior....

How Firms Substitute for Authority in Strategic Decision-Making

DEFF Research Database (Denmark)

Dobrajska, Magdalena; Billinger, Stephan; Becker, Markus C.

Strategic decisions are often made by multiple organizational members who form decision-making structures specialized for a given strategic decision. We study a series of strategic decisions in a business unit of a global Fortune 500 firm, identifying for each decision the hierarchical...... takes place in response to changes in decision characteristics, including decision complexity, decision importance, CEO proximity, and the degree to which a decision is routine. We show various manifestations of the substitution mechanism and discuss implications for strategic decision-making....... and departmental positions of all participating organizational members. We find that firms substitute between different structural components in decision-making structures to combine hierarchical authority with cross-departmental coordination and redundant knowledge. This substitution between structural components...

Substitution and Complementarity of Alcohol and Cannabis: A Review of the Literature.

Science.gov (United States)

Subbaraman, Meenakshi Sabina

2016-09-18

Whether alcohol and cannabis are used as substitutes or complements remains debated, and findings across various disciplines have not been synthesized to date. This article is a first step towards organizing the interdisciplinary literature on alcohol and cannabis substitution and complementarity. Electronic searches were performed using PubMed and ISI Web of Knowledge. Behavioral studies of humans with "alcohol" (or "ethanol") and "cannabis" (or "marijuana") and "complement(*)" (or "substitut(*)") in the title or as a keyword were considered. Studies were organized according to sample characteristics (youth, general population, clinical and community-based). These groups were not set a priori, but were informed by the literature review process. Of the 39 studies reviewed, 16 support substitution, ten support complementarity, 12 support neither and one supports both. Results from studies of youth suggest that youth may reduce alcohol in more liberal cannabis environments (substitute), but reduce cannabis in more stringent alcohol environments (complement). Results from the general population suggest that substitution of cannabis for alcohol may occur under more lenient cannabis policies, though cannabis-related laws may affect alcohol use differently across genders and racial groups. Alcohol and cannabis act as both substitutes and complements. Policies aimed at one substance may inadvertently affect consumption of other substances. Future studies should collect fine-grained longitudinal, prospective data from the general population and subgroups of interest, especially in locations likely to legalize cannabis.

Supramolecular patterns and Hirshfeld surface analysis in the crystal structure of bis(2-amino-4-methoxy-6-methylpyrimidinium isophthalate

Directory of Open Access Journals (Sweden)

Muthaiah Jeevaraj

2017-10-01

Full Text Available In the title molecular salt, 2C6H10N3O+·C8H4O42−, the N atom of each of the two 2-amino-4-methoxy-6-methylpyrimidine molecules lying between the amine and methyl groups has been protonated. The dihedral angles between the pyrimidine rings of the cations and the benzene ring of the succinate dianion are 5.04 (8 and 7.95 (8°. Each of the cations is linked to the anion through a pair of N—H...O(carboxylate hydrogen bonds, forming cyclic R22(8 ring motifs which are then linked through inversion-related N—H...O hydrogen bonds, giving a central R24(8 motif. Peripheral amine N—H...O hydrogen-bonding interactions on either side of the succinate anion, also through centrosymmetric R22(8 extensions, form one-dimensional ribbons extending along [211]. The crystal structure also features π–π stacking interactions between the aromatic rings of the pyrimidine cations [minimum ring centroid separation = 3.6337 (9 Å]. The intermolecular interactions were also investigated using Hirshfeld surface studies and two-dimensional fingerprint images.

Bis{bis[1-methoxy-2-(2-methoxyethoxyethane-κ3O,O′,O′′]sodium} 1,1,2,2-tetraphenylethane-1,2-diide

Directory of Open Access Journals (Sweden)

Mikhail E. Minyaev

2014-07-01

Full Text Available Crystals of the title salt, [Na(C6H14O32]2(C26H20, were grown from a tetrahydrofuran/diglyme/Et2O solvent mixture [diglyme is 1-methoxy-2-(2-methoxyethoxyethane]. The cations and dianion are separated in the crystal structure, unlike in the other three structurally characterized dialkali metal tetraphenylethylene salts. The asymmetric unit contains one [Na(diglyme2]+ cation and one half of the [Ph2CCPh2]2− dianion. The latter lies on a twofold rotation axis. C—C bond-length redistribution displays that excessive electron density of the dianion is predominantly located at the C atoms of a former double bond and at all eight ortho positions. The studied crystal was a twin, with the ratio of two major components being 0.2143 (9:0.7857 (9. The twin operation is a twofold rotation around the a axis.

A solid-contact Pb2+-selective electrode using poly(2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene) as ion-to-electron transducer

International Nuclear Information System (INIS)

Yu Shunyang; Li Fuhai; Yin Tanji; Liu Yongming; Pan, Dawei; Qin Wei

2011-01-01

Highlights: → All reagents used for the electrodes preparation were commercially available. → The lower detection limit of the proposed electrode reached subnanomolar levels. → No water film was observed with conventional commercially available PVC ion-sensing membranes. → This research provides an excellent strategy for fabrication of robust polymeric ion sensors. - Abstract: In this work, a novel all-solid-state polymeric membrane Pb 2+ -selective electrode was developed by using for the first time poly(2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene) (MEH-PPV) as solid contact. To demonstrate the ion-to-electron transducing ability of MEH-PPV, chronopotentiometry and electrochemical impedance spectroscopy measurements were carried out. The proposed electrodes showed a Nernstian response of 29.1 mV decade -1 and a lower detection limit of subnanomolar level. No water film was observed with the conventional plasticized PVC membrane. This work demonstrates a new strategy for the fabrication of robust potentiometric ion sensors.

Relationship between Al content and substitution mechanism of Al-bearing anhydrous bridgmanites

Science.gov (United States)

Noda, M.; Inoue, T.; Kakizawa, S.

2017-12-01

It is considered that two substitution mechanisms, Tschermak substitution and oxygen vacancy substitution, exist in MgSiO3 bridgmanite for the incorporation of Al in anhydrous condition. Kubo and Akaogi (2000) has conducted the phase equilibrium experiment in the system MgSiO3-Al2O3, and established the phase diagram up to 28 GPa. However the careful observation in the bridgmanite shows that the chemical compositions are slightly deviated from Tschermak substitution join. The same tendency can be also observed in the run products by Irifune et al. (1996). This result indicates that pure Tschermak substitution bridgmanite cannot be stable even in the MgSiO3-Al2O3 join experiment. However, the previous studies used powder samples as the starting materials, so the absorbed water may affect the results. Therefore, we tried to conduct the experiment in the join MgSiO3-Al2O3 in extremely anhydrous condition to clarify whether the pure Tschermak substitution bridgmanite can be stable or not. In addition, we also examined the stability of oxygen vacancy bridgmanite in the extremely anhydrous condition for the comparison. The high pressure synthesis experiments were conducted at 28 GPa and 1600-1700° for 1hour using a Kawai-type multi-anvil apparatus. Four different Al content samples were prepared as the starting materials along the ideal substitution line of Tschermak (Al=0.025, 0.05, 0.1, 0.15 mol) and oxygen-vacancy (Al=0.025, 0.05, 0.075, 0.1 mol) substitutions, respectively (when total cation of 2). The glass rods were used as the starting materials to eliminate the absorbed water on the sample surface. The chemical compositions of the synthesized bridgmanite could not be measured by EPMA because of small grain size less than submicron. Therefore the chemical compositions were estimated from the result of the XRD pattern by subtracting the amount of the other phases. The estimated chemical compositions of Tschermak substitution bridgmanites were consistent with the

Orbital-selective Mott phase of Cu-substituted iron-based superconductors

International Nuclear Information System (INIS)

Liu, Yang; Zhao, Yang-Yang; Song, Yun

2016-01-01

We study the phase transition in Cu-substituted iron-based superconductors with a new developed real-space Green’s function method. We find that Cu substitution has strong effect on the orbital-selective Mott transition introduced by the Hund’s rule coupling. The redistribution of the orbital occupancy which is caused by the increase of the Hund’s rule coupling, gives rise to the Mott–Hubbard metal-insulator transition in the half-filled d xy orbital. We also find that more and more electronic states appear inside that Mott gap of the d xy orbital with the increase of Cu substitution, and the in-gap states around the Fermi level are strongly localized at some specific lattice sites. Further, a distinctive phase diagram, obtained for the Cu-substituted Fe-based superconductors, displays an orbital-selective insulating phase, as a result of the cooperative effect of the Hund’s rule coupling and the impurity-induced disorder. (paper)

The Doubting System 1: Evidence for automatic substitution sensitivity.

Science.gov (United States)

Johnson, Eric D; Tubau, Elisabet; De Neys, Wim

2016-02-01

A long prevailing view of human reasoning suggests severe limits on our ability to adhere to simple logical or mathematical prescriptions. A key position assumes these failures arise from insufficient monitoring of rapidly produced intuitions. These faulty intuitions are thought to arise from a proposed substitution process, by which reasoners unknowingly interpret more difficult questions as easier ones. Recent work, however, suggests that reasoners are not blind to this substitution process, but in fact detect that their erroneous responses are not warranted. Using the popular bat-and-ball problem, we investigated whether this substitution sensitivity arises out of an automatic System 1 process or whether it depends on the operation of an executive resource demanding System 2 process. Results showed that accuracy on the bat-and-ball problem clearly declined under cognitive load. However, both reduced response confidence and increased response latencies indicated that biased reasoners remained sensitive to their faulty responses under load. Results suggest that a crucial substitution monitoring process is not only successfully engaged, but that it automatically operates as an autonomous System 1 process. By signaling its doubt along with a biased intuition, it appears System 1 is "smarter" than traditionally assumed.

Substitution rate and natural selection in parvovirus B19

Science.gov (United States)

Stamenković, Gorana G.; Ćirković, Valentina S.; Šiljić, Marina M.; Blagojević, Jelena V.; Knežević, Aleksandra M.; Joksić, Ivana D.; Stanojević, Maja P.

2016-01-01

The aim of this study was to estimate substitution rate and imprints of natural selection on parvovirus B19 genotype 1. Studied datasets included 137 near complete coding B19 genomes (positions 665 to 4851) for phylogenetic and substitution rate analysis and 146 and 214 partial genomes for selection analyses in open reading frames ORF1 and ORF2, respectively, collected 1973–2012 and including 9 newly sequenced isolates from Serbia. Phylogenetic clustering assigned majority of studied isolates to G1A. Nucleotide substitution rate for total coding DNA was 1.03 (0.6–1.27) x 10−4 substitutions/site/year, with higher values for analyzed genome partitions. In spite of the highest evolutionary rate, VP2 codons were found to be under purifying selection with rare episodic positive selection, whereas codons under diversifying selection were found in the unique part of VP1, known to contain B19 immune epitopes important in persistent infection. Analyses of overlapping gene regions identified nucleotide positions under opposite selective pressure in different ORFs, suggesting complex evolutionary mechanisms of nucleotide changes in B19 viral genomes. PMID:27775080

Property of electrocardiogram gated single photon emission tomography by 99mTc-methoxy isobutyl isonitrile

International Nuclear Information System (INIS)

Imai, Kamon; Nishio, Yukari; Araki, Yasushi; Saito, Satoshi; Ozawa, Yukio; Yasugi, Tadao; Hagiwara, Kazuo; Kamata, Rikisaburo

1992-01-01

99m Tc-methoxy isobutyl isonitrile (MIBI) is a new developed myocardial perfusion imaging agent. Because this compound has higher photon energy than thallium (Tl), electrocardiogram gated single photon emission tomography (SPECT): end-diastolic (ED) and end-systolic (ES) short axis (SA) images could be taken. To investigate property of gated MIBI SPECT, MIBI myocardial scintigraphy, Tl scintigraphy (TMS) and analysis of left ventricular wall motion were performed in 6 patients with myocardial infarction. Left ventricule was divided into 8 segments. Perfusion defect (PD) was scored: '0' (normal), '1' (hypo-perfusion), '2' (defect). Wall motion abnormality (WMA) was also scored: '0' (normo-kinesis), '1' (hypo-kinesis), '2' (a-, dys-kinesis). Severity and extent of PD and WMA were calculated. Severity of WMA was 3.0±2.0 (M±SD), severity of PD was 3.3±1.7 in TMS, 3.7±1.3 in no-gated MIBI, 5.0±0.6 in ES-MIBI, 7.3±2.0 in ED-MIBI. Extent of WMA was 2.3±1.0. Extent of PD was 2.5±1.3 in TMS, 3.0±1.6 in no-gated MIBI, 3.5±0.8 in ES-MIBI, 4.8±1.0 in ED-MIBI. Compared with wall motion abnormality, severity and extent of PD in ED-MIBI was larger. From our data, it is concluded that perfusion defect in ED-MIBI was overestimated significantly. When we evaluate gated MIBI image, we must consider this property. (author)

Preparation and assessment of [{sup 99m}Tc]technetium aquacarbonyl complexes with 1,2-diaminoethane-N-substituted ligands for tumor detection; Preparo e avaliacao de complexos de [{sup 99m}Tc]tecnecio aquacarbonil com ligantes 1,2-diaminoetano-N-substituidos para deteccao de tumores

Energy Technology Data Exchange (ETDEWEB)

Radin, Adriano

2010-07-01

Over least 15 years the complex [[{sup 99m}Tc](H{sub 2}0){sub 3}(CO){sub 3}]{sup +} has been used as an intermediary to obtain technetium radiopharmaceuticals for applications in cardiology, neurology and oncology. Two important characteristics of this molecule are: the facility for obtaining that compound from aqueous solutions and the easiness of substituting H{sub 2}O molecules by atoms of other ligand molecules. In this project we prepared new complexes [[{sup 99m}Tc](CMN{sup S001-3})(H{sub 2}O)(CO){sub 3}]{sup +}, where (CMNS001) = N-[(4-methoxy) benzyl]-1,2-diaminoethane, (CMNS003) = N,N'-bis-[(4-methoxy)benzyl]-1,2-diaminoethane, and assessed the uptake of these complexes in murine melanoma cancer cell B16F10 and breast cells MCF-7 and MDA-MD-231, and compared with [[{sup 99m}](MIBI){sub 6}]{sup +} uptake. In vitro uptake for both new technetium complex reached values close to 5%, for all cell lines, whereas the [[{sup 99m}Tc](MIBI){sub 6}]{sup +} uptake was close to 1 %. The assessment of subcellular distribution showed high accumulation of the new complex in the membrane fraction, for MDAMB-231, while for B16F10 accumulation occurred both in membrane and cytoplasm; the concentration of [[{sup 99m}Tc](MIBI){sub 6}]{sup +} was mainly in the cytoplasm portion. Biodistribution study in mice allowed to observe the capture of up to 1.6% of the administered dose per gram of tumor tissue for the complex [[{sup 99m}Tc](CMNS001)(H{sub 2}O)(CO){sub 3}]{sup +}, whereas other organs such as heart, lung and muscle, showed uptake of about 5.6%, 6.4% and 2%, respectively. The complexes in this work showed a high rate of uptake in vitro, but was not reproduced in vivo model, which can be related to low concentration of the complexes inside the cells and reduced vascularity of tumor tissue, with lower intake of complex through the blood system. (author)

40 CFR 721.7220 - Polymer of substituted phenol, formaldehyde, epichlorohydrin, and disubstituted benzene.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Polymer of substituted phenol... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.7220 Polymer of substituted phenol... subject to reporting. (1) The chemical substance identified generically as polymer of substituted phenol...

Selected polyethylene glycols as DOP substitutes. Addendum 1

International Nuclear Information System (INIS)

Gerber, B.V.

1981-01-01

The recommendation is made that Polyethylene glycol (PEG) 400 be considered as a substitute for DOP in aerosol generators producing a polydisperse distribution for testing the integrity of filters and for testing respirator fit. Further, the recommendation is made that pentaethylene glycol (PTAEG) and possibly hexaethylene glycol be considered as a substitute for DOP in aerosol generators thermally producing monodisperse aerosol for quality acceptance tests according tu US federal specifications and standards. The toxicology data base available on the polyethylene glycol family of chemical compounds is discussed and the conclusion is drawn that the probability of approval and acceptance as a non-hazardous substance in the filter and filter media test role is high. Data and analysis supporting PTAEG performance equivalent to DOP in the filter and filter media test role are given or referenced. Cost and availability of the substitute materials is discussed. Conclusions based on the present data and information are given and recommendations for further work are made

Electrophoretic deposition of zinc-substituted hydroxyapatite coatings.

Science.gov (United States)

Sun, Guangfei; Ma, Jun; Zhang, Shengmin

2014-06-01

Zinc-substituted hydroxyapatite nanoparticles synthesized by the co-precipitation method were used to coat stainless steel plates by electrophoretic deposition in n-butanol with triethanolamine as a dispersant. The effect of zinc concentration in the synthesis on the morphology and microstructure of coatings was investigated. It is found that the deposition current densities significantly increase with the increasing zinc concentration. The zinc-substituted hydroxyapatite coatings were analyzed by X-ray diffraction, scanning electron microscopy and Fourier transform infrared spectroscopy. It is inferred that hydroxyapatite and triethanolamine predominate in the chemical composition of coatings. With the increasing Zn/Ca ratios, the contents of triethanolamine decrease in the final products. The triethanolamine can be burnt out by heat treatment. The tests of adhesive strength have confirmed good adhesion between the coatings and substrates. The formation of new apatite layer on the coatings has been observed after 7days of immersion in a simulated body fluid. In summary, the results show that dense, uniform zinc-substituted hydroxyapatite coatings are obtained by electrophoretic deposition when the Zn/Ca ratio reaches 5%. Copyright © 2014 Elsevier B.V. All rights reserved.

Transport properties and Raman spectra of impurity substituted MgB2

International Nuclear Information System (INIS)

Masui, T.

2007-01-01

Recent advances in the study of MgB 2 are reviewed, with focus on the transport properties and Raman scattering measurements for impurity substituted crystals. Carbon and Aluminium substitution change band filling, introduce intraband and interband scattering. These effects are seen in the temperature dependence of resistivity, Hall coefficients, and phonon peak of Raman spectra. Manganese substitution introduces magnetic scattering, that increases resistivity but gives little change in Raman spectra. The effect of disorder in neutron irradiated samples is also discussed

Size effects on cation heats of formation. I. Methyl substitutions in nitrogenous compounds

International Nuclear Information System (INIS)

Leach, Sydney

2012-01-01

Graphical abstract: Heat of formation of cations as a function of ln(n) where n is the number of atoms in the ion: methyl substituted immonium cations. N = substitution at nitrogen sites, C = substitution at carbon sites. Highlights: ► Heats of formation of nitrogenous cations by graphical method relating to ion size. ► Methyl substitution in formamides, acetamides, immonium, amine, and imine cations. ► Methyl substitution in ammonium and amino cations. ► New studies ionization energies and heats of formation required in several cases. - Abstract: The heats of formation of molecular ions are often not known to better than 10 or 20 kJ/mol. The present study on nitrogenous compounds adopts the graphical approach of Holmes and Lossing which relates cation heats of formation to cation size. A study of methyl substitution in formamides and acetamides is followed by an examination of heat of formation data on carbon-site and nitrogen-site methyl substitution in immonium, amine, imine, ammonium and amino cations. The results provide tests of the validity of this graphical method and also suggest investigating or re-investigating the ionization energies and the heats of formation of several of the molecules studied.

Hydrophosphorylation of substituted alkynes by phosphonic acids

International Nuclear Information System (INIS)

Nifant'ev, E.F.; Solovetskaya, L.A.; Maslennikova, V.I.; Sergeev, N.M.

1987-01-01

Hydrophosphorylation of functionally substituted alkynes by phosphonic acids can be a convenient method for synthesis of functionally substituted mono- and diphosphine oxides. The ease of hydrophosphorylation is determined by the strength of the negative inductive effect of the substituents on the triple bond and the steric factor. The structure of the bis-adducts was confirmed by elementary analysis and the 31 P and 13 C NMR spectra. The 31 P NMR spectrum is an AB two-spin system. The values of the chemical shifts and spin-spin interaction constants 3 J/sub PP/ are in agreement with the data in the literature for similar compounds

Srtucture and properties of intracomplexes of 2-substituted 8-mercaptoquinoline derivatives

International Nuclear Information System (INIS)

Sturis, A.P.; Bankovskij, Yu.A.; Pech, L.Ya.

1990-01-01

The results of investigation of the molecular and crystal structure of 2-substituted 8-mercaptoquinoline internal complexes (in particular complexes of cadmium and indium) have been reviewed. Substitution of hydrogen atom in o-position in relation to the nitrogen atom in the ligand molecule causes the steric hindrance in the molecules of complexes. Due to it the changes in structure of the central atom coordination center in the MR 2 complexes from the planar (8-mercaptoquinolinates) to the distored tetrahedral (2-substituted 8-mercaptoquinolinates) occur. The ascertainment of such effect allows to explain the changes in physicochemical properties of 2-substituted 8-mercaptoquinolinates (hypsochromic shift of absorption maxima, decrease of the amount of ligands connected to the central atom, decrease of stability, increase of solubility in organic solvents) in comparison with 8-mercaptoquinolinates

Petroleum, alcohol, and energy substitution in Brazil: Theoretical and empirical issues

International Nuclear Information System (INIS)

Biller, D.

1991-01-01

As in other Latin American nations, the petroleum industry has always been surrounded by controversy in Brazil. Issues related to exploration, exploitation, and import of crude have received special attention by Brazilian decision makers. In the past decade, an additional relevant issue was brought into play by the oil crisis. An import substitution program for energy was implemented by the development of alternative indigenous energy sources. Among these sources, sugarcane was viewed as a reliable renewable resource for the production of fuel alcohol and, very recently, of electricity. Brazil engaged in a gigantic program of fuel substitution, which is now facing severe problems due to the fall of petroleum prices. This study analyzes the recent energy import substitution program in Brazil, specifically concentrating on microeconomic and environmental aspects of fuel substitution

Thermodynamic stability of binary systems involving metal ions and the 4-methoxy benzylidenepyruvate in aqueous solution

International Nuclear Information System (INIS)

Redigolo, H.

1989-01-01

A review on studies previously carried out in this laboratory involving metal ions and benzylidene-pyruvate, in aqueous solutions, is presented; emphasis is mainly placed on complexes comprising 4-Dimethyl-amino-benzylidene-pyruvate (DMBP, p K a 3.79) and 2-Chloro-4-Dimethyl-amino-benzylidene-pyruvate (2 Cl-DMBP, p k a = 3.08). In an endeavour to extend the previous work, the dissociation constant of 4-methoxy-benzylidene-pyruvic acid (H-4-Me O-BP) was determined spectrophotometrically at 25.0 +- 0.1 0 C and ionic strength 0.500 M, held with sodium perchlorate (p k a = 1.473). The complex formation equilibria in M-4-Me O-BP systems, where M = Cu(II), La(III), Pr(III), Sm(III), Lu(III), Sc (III), In(III), Ga(III) or Th(IV) were investigated, also spectrophotometrically, in the above mentioned experimental conditions. In addition, the system involving Sm(III) was reinvestigated at ionic strengths 0.100 and 2.00 M, the remaining experimental conditions being maintained. The study is mostly concerned with the determination of formation constants of 1:1 complex species (β 1 ) and spectrophotometric parameters associated with these species. The investigation of possible higher binary complexes (ML n , n > 1) was prevented by solubility limitations. For all considered metal ions, log β 1 (DMBP) > log β 1 (4-Me O-BP) indicating that the stability is governed, at least in part, by ligand basicity. (author). 121 refs, 36 figs, 20 tabs

Chitosan grafted methoxy poly(ethylene glycol)-poly(ε-caprolactone) nanosuspension for ocular delivery of hydrophobic diclofenac.

Science.gov (United States)

Shi, Shuai; Zhang, Zhaoliang; Luo, Zichao; Yu, Jing; Liang, Renlong; Li, Xingyi; Chen, Hao

2015-06-12

This study aimed to develop a cationic nanosuspension of chitosan (CS) and methoxy poly(ethylene glycol)-poly(ε-caprolactone) (MPEG-PCL) for ocular delivery of diclofenac (DIC). MPEG-PCL-CS block polymer was synthesized by covalent coupling of MPEG-PCL with CS. The critical micelle concentration of the MPEG-PCL-CS block polymer was 0.000692 g/L. DIC/MPEG-PCL-CS nanosuspension (mean particle size = 105 nm, zeta potential = 8 mV) was prepared and characterized by Fourier transform infrared spectroscopy, X-ray diffraction, and differential scanning calorimetry. The nanosuspension was very stable without apparent physical property changes after storage at 4 °C or 25 °C for 20 days, but it was unstable in the aqueous humor solution after 24 h incubation. Sustained release of the encapsulated DIC from the nanosuspension occurred over 8 h. Neither a blank MPEG-PCL-CS nanosuspension nor a 0.1% (mass fraction) DIC/MPEG-PCL-CS nanosuspension caused ocular irritation after 24 h of instillation. Enhanced penetration and retention in corneal tissue was achieved with a Nile red/MPEG-PCL-CS nanosuspension compared with a Nile red aqueous solution. In vivo pharmacokinetics studies showed enhanced pre-corneal retention and penetration of the DIC/MPEG-PCL-CS nanosuspension, which resulted in a higher concentration of DIC (Cmax) in the aqueous humor and better bioavailability compared with commercial DIC eye drops (P < 0.01).

Asymmetric syntheses of 3,4-disubstituted tetrahydroquinoline derivatives using (+)- sparteine-mediated electrophilic substitution

International Nuclear Information System (INIS)

Choi, Yun Soo; Kang, Kyoung Hee; Park, Yong Sun

2015-01-01

Tetrahydroquinolines bearing substituents are frequently found as a substructure in a number of alkaloids and natural products. Since their individual stereoisomers displays different biological activities, it is desirable to develop a highly stereoselective synthetic method for tetrahydroquinolines. While some progress has recently been made toward the development of asymmetric synthetic methods for tetrahydroquinolines, it is still a challenging topic in organic synthesis. In order to investigate the source of diastereoselection attained in the substitution reaction with a racemic epoxide, we examined the substitution of 2 with an excess amount of racemic p-chlorophenyl-substituted oxirane. We have developed a novel method for the asymmetric synthesis of trans-3,4-diaryl-substituted tetrahy- droquinolines from ortho-substituted N-pivaloyl anilines. The enantioselective process includes (+)-sparteine-mediated stereoselective lithiati on, kinetic resolution of epoxides in substitution, and stereospecific Mitsu nobu cyclization as the key reactions. The simple protocol can provide highly functionalized tetrahydroqu inoline rings and would allow their further functionalization to access more complex target molecules

Cross-Cultural Comparison between German, French and Dutch Consumer Preferences for Meat Substitutes

Directory of Open Access Journals (Sweden)

Ramona Weinrich

2018-05-01

Full Text Available Sustainability is becoming an increasingly important consideration for consumers when purchasing food. As meat production has a significant impact on the environment, meat substitutes are becoming more and more popular in Europe. However, consumers who regularly buy meat substitutes are still the exception. Although there are some initial results indicating why this proportion is still low, most research has been concentrated in the Netherlands. This paper aims to compare reasons for consuming or not consuming meat substitutes in three European countries—Germany, the Netherlands and France. As very little is known about the underlying reasons, an explorative approach was chosen. Focus group discussions were carried out in all three countries, six altogether. The results show that all participants can enumerate meat substitutes. The main reason for not consuming meat substitutes is the taste of meat. Further, eating habits seem to be fixed and convenience might also be an impediment to reducing meat consumption in favour of meat substitutes, as is confusion regarding healthy eating.

Asymmetric syntheses of 3,4-disubstituted tetrahydroquinoline derivatives using (+)- sparteine-mediated electrophilic substitution

Energy Technology Data Exchange (ETDEWEB)

Choi, Yun Soo; Kang, Kyoung Hee; Park, Yong Sun [Dept. of Chemistry, Konkuk University, Seoul (Korea, Republic of)

2015-05-15

Tetrahydroquinolines bearing substituents are frequently found as a substructure in a number of alkaloids and natural products. Since their individual stereoisomers displays different biological activities, it is desirable to develop a highly stereoselective synthetic method for tetrahydroquinolines. While some progress has recently been made toward the development of asymmetric synthetic methods for tetrahydroquinolines, it is still a challenging topic in organic synthesis. In order to investigate the source of diastereoselection attained in the substitution reaction with a racemic epoxide, we examined the substitution of 2 with an excess amount of racemic p-chlorophenyl-substituted oxirane. We have developed a novel method for the asymmetric synthesis of trans-3,4-diaryl-substituted tetrahy- droquinolines from ortho-substituted N-pivaloyl anilines. The enantioselective process includes (+)-sparteine-mediated stereoselective lithiati on, kinetic resolution of epoxides in substitution, and stereospecific Mitsu nobu cyclization as the key reactions. The simple protocol can provide highly functionalized tetrahydroqu inoline rings and would allow their further functionalization to access more complex target molecules.

Substitution Relationship Between The Agency Problem Control Mechanisms in Malaysia: Simultaneous Equation Analysis

Directory of Open Access Journals (Sweden)

D. Agus Harjito

2009-05-01

Full Text Available This study investigates the substitution relationship (substitutability between debt policy, insider ownership, and dividend policy as the agency problem control mechanism in Malaysia. If the substitution relationship exists between the agency control mechanisms, the agency problem can be reduced through this relationship. Reducing the agency problem as a result can increase the firm value proxied by Tobin’s Q. This study employs 396 firms sample listed on Malaysian Bourse from 2001 to 2004. To achieves the objectives, this study uses two-stage least square method. The results of this study indicate that the substitutability between debt policy, insider ownership, and dividend policy as agency problem control mechanism does not fully exist in Malaysia. Apparently the substitutability only exists for debt policy and dividend. There is no substitution between debt policy and insider ownership as well as between dividend policy and insider ownership. Key words: debt policy, insider ownership, dividend policy, agency problem, firm value

Substitution of sugar-sweetened beverages with other beverage alternatives

DEFF Research Database (Denmark)

Zheng, Miaobing; Allman-Farinelli, Margaret; Heitmann, Berit Lilienthal

2015-01-01

alternatives on long-term health outcomes. METHOD: We systematically retrieved studies from six electronic databases from inception to November 2013. Prospective cohort studies and randomized controlled trials (RCTs) examining the effects of substituting beverage alternatives for SSBs on long-term health...... to high. Evidence from both cohort studies and RCTs showed substitution of SSBs by various beverage alternatives was associated with long-term lower energy intake and lower weight gain. However, evidence was insufficient to draw conclusions regarding the effect of beverage substitution on other health...... outcomes, and which beverage alternative is the best choice. CONCLUSIONS: Although studies on this topic are sparse, the available evidence suggests a potential beneficial effect on body weight outcomes when SSBs are replaced by water or low-calorie beverages. Further studies in this area are warranted...

Antimalarial Activity of C-10 Substituted Triazolyl Artemisinin.

Science.gov (United States)

Park, Gab-Man; Park, Hyun; Oh, Sangtae; Lee, Seokjoon

2017-12-01

We synthesized C-10 substituted triazolyl artemisinins by the Huisgen cycloaddition reaction between dihydroartemisinins (2) and variously substituted 1, 2, 3-triazoles (8a-8h). The antimalarial activities of 32 novel artemisinin derivatives were screened against a chloroquine-resistant parasite. Among them, triazolyl artemisinins with electron-withdrawing groups showed stronger antimalarial activities than those shown by the derivatives having electron-donating groups. In particularly, m-chlorotriazolyl artemisinin (9d-12d) showed antimalarial activity equivalent to that of artemisinin and could be a strong drug candidate.

3,5-Bis(4-meth­oxy­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole

OpenAIRE

Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.

2011-01-01

In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two methoxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C—H...π stacking interactions and weak π–π interactions [cen...

Gamma-ray decontamination of a milk substitute for calf feeding

International Nuclear Information System (INIS)

Blasco, M. I.; Roberti, A.; Horak, Celina I.; Narvaiz, Patricia; Kairiyama, Eulogia

1999-01-01

A contaminated milk substitute for calf feeding has been irradiated to reduce the content of bacteria and fungi. The results of microbiological, chemical and physico-chemical studies demonstrate that an irradiation doses of 7 kGy reduce to an acceptable level the content of contaminants without damaging the milk substitute. (author)

31 CFR 370.14 - Can substitute payment procedures be used?

Science.gov (United States)

2010-07-01

... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Can substitute payment procedures be used? 370.14 Section 370.14 Money and Finance: Treasury Regulations Relating to Money and Finance... FUNDS TRANSFERS RELATING TO UNITED STATES SECURITIES Credit ACH Entries § 370.14 Can substitute payment...

76 FR 8666 - Substitution in Case of Death of Claimant

Science.gov (United States)

2011-02-15

... DEPARTMENT OF VETERANS AFFAIRS 38 CFR Parts 3, 14, 20 RIN 2900-AN91 Substitution in Case of Death... Veterans Affairs (VA) proposes to amend its regulations concerning adjudication of claims, representation..., not later than one year after the death of the claimant, request to be substituted for the claimant...

Synthesis of methoxy substituted centrally chiral triynes as precursors of functionalised nonracemic helicene-like compounds

Czech Academy of Sciences Publication Activity Database

Krausová, Zuzana; Sehnal, Petr; Teplý, Filip; Stará, Irena G.; Starý, Ivo; Šaman, David; Cvačka, Josef; Fiedler, Pavel

2007-01-01

Roč. 72, č. 11 (2007), s. 1499-1522 ISSN 0010-0765 R&D Projects: GA MŠk LC512; GA ČR GA203/06/1792; GA ČR GA203/07/1664; GA MPO FI-IM/073; GA MŠk ME 857 Institutional research plan: CEZ:AV0Z40550506 Keywords : helical chirality * helicenes * Sonogashira reaction * alkynes Subject RIV: CC - Organic Chemistry Impact factor: 0.879, year: 2007

Cannabis as a substitute for prescription drugs – a cross-sectional study

Science.gov (United States)

Corroon, James M; Mischley, Laurie K; Sexton, Michelle

2017-01-01

Background The use of medical cannabis is increasing, most commonly for pain, anxiety and depression. Emerging data suggest that use and abuse of prescription drugs may be decreasing in states where medical cannabis is legal. The aim of this study was to survey cannabis users to determine whether they had intentionally substituted cannabis for prescription drugs. Methods A total of 2,774 individuals were a self-selected convenience sample who reported having used cannabis at least once in the previous 90 days. Subjects were surveyed via an online anonymous questionnaire on cannabis substitution effects. Participants were recruited through social media and cannabis dispensaries in Washington State. Results A total of 1,248 (46%) respondents reported using cannabis as a substitute for prescription drugs. The most common classes of drugs substituted were narcotics/opioids (35.8%), anxiolytics/benzodiazepines (13.6%) and antidepressants (12.7%). A total of 2,473 substitutions were reported or approximately two drug substitutions per affirmative respondent. The odds of reporting substituting were 4.59 (95% confidence interval [CI], 3.87–5.43) greater among medical cannabis users compared with non-medical users and 1.66 (95% CI, 1.27–2.16) greater among those reporting use for managing the comorbidities of pain, anxiety and depression. A slightly higher percentage of those who reported substituting resided in states where medical cannabis was legal at the time of the survey (47% vs. 45%, p=0.58), but this difference was not statistically significant. Discussion These patient-reported outcomes support prior research that individuals are using cannabis as a substitute for prescription drugs, particularly, narcotics/opioids, and independent of whether they identify themselves as medical or non-medical users. This is especially true if they suffer from pain, anxiety and depression. Additionally, this study suggests that state laws allowing access to, and use of, medical

Dodecatungstocobaltate and Sn (IV)-Substituted Polyoxometalate ...

African Journals Online (AJOL)

NICO

work metals, or substituting different cations for the protons to make their acidic or neutral ... corrosive materials in comparison with traditional Lewis acids. The importance of .... salt by treatment with potassium chloride. Finally, the cobalt (II).

Synthesis of 3-substituted 5-arylidene-1-methyl-2-thiohydantoins under microwave irradiation

DEFF Research Database (Denmark)

Khodari, A.I.; Nielsen, John

2002-01-01

A mono-modal microwave oven was used to expedite the synthesis of small libraries of 3-substituted 1-methyl-2-thiohydantoins and 3-substituted 5-arylidene-1-methyl-2-thiohydantoins. In comparison with the traditional reflux methods, similar or higher yields were obtained.......A mono-modal microwave oven was used to expedite the synthesis of small libraries of 3-substituted 1-methyl-2-thiohydantoins and 3-substituted 5-arylidene-1-methyl-2-thiohydantoins. In comparison with the traditional reflux methods, similar or higher yields were obtained....

Substitution and complementarity of alcohol and cannabis: A review of the literature

Science.gov (United States)

2016-01-01

Background Whether alcohol and cannabis are used as substitutes or complements remains debated, and findings across various disciplines have not been synthesized to date. Objective This paper is a first step towards organizing the interdisciplinary literature on alcohol and cannabis substitution and complementarity. Method Electronic searches were performed using PubMed and ISI Web of Knowledge. Behavioral studies of humans with ‘alcohol’ (or ‘ethanol’) and ‘cannabis’ (or ‘marijuana”) and ‘complement*’ (or ‘substitut*’) in the title or as a keyword were considered. Studies were organized according to sample characteristics (youth, general population, clinical and community-based). These groups were not set a priori, but were informed by the literature review process. Results Of the 39 studies reviewed, 16 support substitution, ten support complementarity, 12 support neither and one supports both. Results from studies of youth suggest that youth may reduce alcohol in more liberal cannabis environments (substitute), but reduce cannabis in more stringent alcohol environments (complement). Results from the general population suggest that substitution of cannabis for alcohol may occur under more lenient cannabis policies, though cannabis-related laws may affect alcohol use differently across genders and racial groups. Conclusions Alcohol and cannabis act as both substitutes and complements. Policies aimed at one substance may inadvertently affect consumption of other substances. Future studies should collect fine-grained longitudinal, prospective data from the general population and subgroups of interest, especially in locations likely to legalize cannabis. PMID:27249324

IR, FT-ICR-MS studies on (1'S, 6'S)-1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0] non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride salt.

Science.gov (United States)

Lin, Zhiwei

2014-01-01

The infrared spectra of (1'S, 6'S)-1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0] non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride salt (CLF-HCl) were studied and compared with free base. Their fragmentation pathways were investigated using tandem mass spectrometric (MS/MS) techniques on Fourier-transform ion cyclotron resonance spectrum, and many characteristic fragment ions were found. Copyright © 2013 Elsevier B.V. All rights reserved.

Physicochemical and sensory characteristics of soy sauce substituted with pigeon pea (Cajanus cajan (Linn.))

Science.gov (United States)

Retnaningsih, C.; Sumardi; Meiliana; Surya, A.

2018-01-01

The objective of this study wasto investigate the physicochemical and sensory properties of the soy sauce substituted with pigeon pea. Soybean was substituted by 20%, 50%, 75%, and 100% of pigeon pea. The observation included viscosity, total solids, protein levels, antioxidant activity, and sensory characteristics. The results showed that the more substitution of pigeon pea, the less the protein content of soy sauce and the more the antioxidant activity as well as total solids. The most favored group was 25% pigeon pea substitution. It is suggested that soy sauce could be prepared using 25% to 75% pigeon pea substitution.

Structural and magnetic properties of Co-substituted NiCu ferrite nanopowders

Energy Technology Data Exchange (ETDEWEB)

Li, Le-Zhong, E-mail: lezhongli@cuit.edu.cn; Zhong, Xiao-Xi; Wang, Rui; Tu, Xiao-Qiang; Peng, Long

2017-07-01

Highlights: • There are Fe{sub 2}O{sub 3} and CuO impurity phases when x ≤ 0.10. • The saturation magnetization and coercivity monotonically increase with the increase of Co substitution. • The anisotropy constant increases with the increase of Co substitution. • The calculated and observed values of magneton number are in close agreement with each other. - Abstract: Co-substituted NiCu ferrite nanopowders with the chemical formula Ni{sub 0.5−x}Cu{sub 0.5−x}Co{sub 2x}Fe{sub 2}O{sub 4} (0 ≤ x ≤ 0.50) were synthesized by sol-gel auto-combustion method. The effects of Co substitution on the cation distribution, structural and magnetic properties of the NiCu ferrite nanopowders have been investigated. Differential thermal analysis-thermogravimetry (DTA-TG), X-ray diffraction (XRD), transmission electron microscope (TEM) and vibrating sample magnetometer (VSM) measurements were used to characterize the chemical, structural and magnetic properties of the ferrite nanopowders, respectively. The DTA-TG results indicate that there are three steps of the combustion process. XRD results indicate that there are Fe{sub 2}O{sub 3} and CuO impurity phases when x ≤ 0.10. Furthermore, the lattice parameter increases, and the X-ray density and the average crystallite size decrease with increasing Co substitution. And the obtained particle size from TEM image is in very good agreement with the average crystallite size estimated by XRD measurements. The saturation magnetization and coercivity monotonically increase with the increase of Co substitution. The increase of the saturation magnetization is due to the substitution of Ni{sup 2+} and Cu{sup 2+} ions with lower magnetic moment by Co{sup 2+} ions with higher magnetic moment on the octahedral sites. And the increase of the coercivity is mainly due to the increase of magnetocrystalline anisotropy energy.

Accounting for product substitution in the analysis of food taxes targeting obesity.

Science.gov (United States)

Miao, Zhen; Beghin, John C; Jensen, Helen H

2013-11-01

We extend the existing literature on food taxes targeting obesity. We systematically incorporate the implicit substitution between added sugars and solid fats into a comprehensive food demand system and evaluate the effect of taxes on sugars and fats. The approach conditions how food and obesity taxes affect total calorie intake. The proposed methodology accounts for the ability of consumers to substitute leaner low-fat and low-sugar items for rich food items within the same food group. We calibrate this demand system approach using recent food intake data and existing estimates of price and income elasticities of demand. The demand system accounts for both the within-food group substitution and the substitution across these groups. Simulations of taxes on added sugars and solid fat show that the tax impact on consumption patterns is understated and the induced welfare loss is overstated when not allowing for the substitution possibilities within food groups. Copyright © 2012 John Wiley & Sons, Ltd.

Substitution between energy and classical factor inputs in the Chinese steel sector

International Nuclear Information System (INIS)

Smyth, Russell; Narayan, Paresh Kumar; Shi, Hongliang

2011-01-01

China's steel sector is the largest in the world and has been a major driving force behind China's high rate of economic growth. This sector, however, is also a major consumer of energy and, in particular, coal. As a result, the iron and steel sector in China is a major contributor to greenhouse gas emissions and other pollutants. In this article we examine the potential for inter-factor substitution between capital, energy and labor in the Chinese steel sector and find that capital and energy and energy and labor are substitutes. This result suggests that removal of price ceilings on energy would tend to reduce energy use and increase capital intensiveness. While the potential for substitution between energy and labor is less than that between energy and capital, the elasticity of substitution between energy and labor is high compared with previous findings for other countries. This fact suggests that there may be potential for substituting labor for energy, given China's abundance of labor.

Minority anion substitution by Ni in ZnO

CERN Document Server

Pereira, Lino Miguel da Costa; Correia, João Guilherme; Amorim, Lígia Marina; Silva, Daniel José; David-Bosne, Eric; Decoster, Stefan; da Silva, Manuel Ribeiro; Temst, Kristiaan; Vantomme, André

2013-01-01

We report on the lattice location of implanted Ni in ZnO using the $\\beta$− emission channeling technique. In addition to the majority substituting for the cation (Zn), a significant fraction of the Ni atoms occupy anion (O) sites. Since Ni is chemically more similar to Zn than it is to O, the observed O substitution is rather puzzling. We discuss these findings with respect to the general understanding of lattice location of dopants in compound semiconductors. In particular, we discuss potential implications on the magnetic behavior of transition metal doped dilute magnetic semiconductors.

Preparation and Reaction Chemistry of Novel Silicon-Substituted 1,3-Dienes

Directory of Open Access Journals (Sweden)

Partha P. Choudhury

2015-09-01

Full Text Available 2-Silicon-substituted 1,3-dienes containing non transferrable groups known to promote transmetallation were prepared by Grignard chemistry and enyne metathesis. These dienes participated in one pot metathesis/Diels-Alder reactions in regio- and diastereoselective fashions. Electron-rich alkenes showed the fastest rates in metathesis reactions, and ethylene, a commonly used metathesis promoter slowed enyne metathesis. 2-Pyridyldimethylsilyl and 2-thienyldimethylsilyl substituted Diels-Alder cycloadducts participated in cross-coupling chemistry and the 2-thienyldimethylsilyl substituted cycloadducts underwent cross-coupling under very mild reaction conditions.

Eight Ways to Make Sure Substitute Teachers Aren't Baby-Sitters.

Science.gov (United States)

Drury, William R.

1988-01-01

Substitutes might never be as good as regular teachers, but they still can provide high-quality instruction. Suggestions include meeting with them as a group twice a year, principal and peer support, and development workshops specifically for substitutes. (TE)

Conceptual approach to the development of an active process of import substitution

Directory of Open Access Journals (Sweden)

Yu. A. Salikov

2018-01-01

Full Text Available In the current political and economic situation, the process of import substitution is of particular importance. Modern processes of social globalization involve the expansion of cooperation and integration of all levels and types of social production. However, there is a risk of increasing risks in the areas of economic and defense security, openness of new technologies, consumer (food and commodity dependence, that is, increasing the risk of loss of stability of the socio-economic system. It is obvious that the main strategic objectives for socio-economic systems are different for each hierarchical level. At the macroeconomic level, these tasks are related not only to the formation of a system of priorities and incentives for the reorientation of the national reproductive complex to the production of import-substituting products, but also to the development of an institutional framework for initiating and launching import-substitution processes.. Import substitution is an active process of replacing imported goods with domestic analogues. It is important to note that for the Russian Federation import substitution is forced, because the beginning of the policy of substitution of foreign goods for goods produced domestically against Russia was introduced a number of trade and economic sanctions imposed by the countries of Europe and the United States. In addition, it should be emphasized that the process of import substitution in the domestic economy should a priori have realistic and objectively marked borders, as the the task of ensuring that excessive (as a limit – one hundred percent of replacement itself is not only achievable in principle, but requiring undue effort and material costs, can cause considerable damage to the national economy. The analysis of the theories of foreign direct investment. The scheme of construction of production on the basis of active import substitution was built. Thus, it is necessary to note the importance of

Mutations of different molecular origins exhibit contrasting patterns of regional substitution rate variation.

Directory of Open Access Journals (Sweden)

Navin Elango

2008-02-01

Full Text Available Transitions at CpG dinucleotides, referred to as "CpG substitutions", are a major mutational input into vertebrate genomes and a leading cause of human genetic disease. The prevalence of CpG substitutions is due to their mutational origin, which is dependent on DNA methylation. In comparison, other single nucleotide substitutions (for example those occurring at GpC dinucleotides mainly arise from errors during DNA replication. Here we analyzed high quality BAC-based data from human, chimpanzee, and baboon to investigate regional variation of CpG substitution rates. We show that CpG substitutions occur approximately 15 times more frequently than other single nucleotide substitutions in primate genomes, and that they exhibit substantial regional variation. Patterns of CpG rate variation are consistent with differences in methylation level and susceptibility to subsequent deamination. In particular, we propose a "distance-decaying" hypothesis, positing that due to the molecular mechanism of a CpG substitution, rates are correlated with the stability of double-stranded DNA surrounding each CpG dinucleotide, and the effect of local DNA stability may decrease with distance from the CpG dinucleotide.Consistent with our "distance-decaying" hypothesis, rates of CpG substitution are strongly (negatively correlated with regional G+C content. The influence of G+C content decays as the distance from the target CpG site increases. We estimate that the influence of local G+C content extends up to 1,500 approximately 2,000 bps centered on each CpG site. We also show that the distance-decaying relationship persisted when we controlled for the effect of long-range homogeneity of nucleotide composition. GpC sites, in contrast, do not exhibit such "distance-decaying" relationship. Our results highlight an example of the distinctive properties of methylation-dependent substitutions versus substitutions mostly arising from errors during DNA replication. Furthermore

Synthesis, Optical Properties and Applications for New Trianguleniums Derivatives

DEFF Research Database (Denmark)

Santella, Marco

The development of new types of emissive organic dyes is an exciting area of research due to the applicability of these compounds in a wide range of disciplines. Cationic triangulenium salts are highly stable carbenium ions with a planar conformation. The convenient and versatile synthetic proced...... focused on the synthesis of thioether para substituted dyes, where the reactivity of various para-methoxy substituted propeller shaped cations towards different alkyl thiols was examined. Furthermore, ringclosure reactions of these thioether bearing propellers in order to obtain trioxa...... structures. These dyes possess excellent emissive properties with possible applications as cell staining agents or as fluorescent probes. Lastly, I focused on the use of triangulenes as binding group for molecular electronics. It has been shown that TATA can form self-assembled monolayers (SAMs) on a gold...

2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) inhibits trichothecene production by Fusarium graminearum through suppression of Tri6 expression

DEFF Research Database (Denmark)

Etzerodt, Thomas; Maeda, Kazuyuki; Nakajima, Yuichi

2015-01-01

Fusarium head blight (FHB) is a devastating disease of wheat (Triticum aestivum L.) caused by a mycotoxigenic fungus Fusarium graminearum resulting in significantly decreased yields and accumulation of toxic trichothecenes in grains. We tested 7 major secondary metabolites from wheat for their ef...... role against the accumulation of trichothecenes in wheat grain. Breeding or engineering of wheat with increased levels of benzoxazinoids could provide varieties with increased resistance against trichothecene contamination of grain and lower susceptibility to FHB...... for their effect on trichothecene production in liquid cultures of F. graminearum producing trichothecene 15-acetyldeoxynivalenol (15-ADON). 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) benzoxazinoid completely abolished toxin production without any apparent effect on fungal growth. DIMBOA strongly...

Alkyl Substitution Effect on Oxidation Stability of Sulfone-Based Electrolytes

Energy Technology Data Exchange (ETDEWEB)

Su, Chi-Cheung [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; He, Meinan [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; Redfern, Paul [Materials Science Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; Curtiss, Larry A. [Materials Science Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; Liao, Chen [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; Zhang, Lu [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; Burrell, Anthony K. [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA; Zhang, Zhengcheng [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Ave. Argonne IL 60439 USA

2016-02-16

Organic sulfone compounds have been widely used as high-voltage electrolytes for lithium-ion batteries for decades. However, owing to the complexity of the synthesis of new sulfones, only a few commercially available sulfones have been studied. In this paper, we report the synthesis of new sulfone compounds with various substituent groups and the impact of the substituent group on the oxidation stability of sulfones. Electrochemical floating tests using a 5 V LiNi0.5Mn1.5O4 spinel cathode and density functional theory calculations showed that the cyclopentyl-substituted sulfone McPS suffered from oxidation instability, starting from 4.9 V versus Li+/Li, as observed by the large leakage currents. On the other hand, the isopropyl-substituted sulfone MiPS and tetramethylene substituted sulfone TMS showed much improved oxidation stability under identical testing conditions. The substitution structure of the sulfone plays a significant role in the determination of its oxidative stability and should first be considered for the development of new sulfone-based electrolytes for high-voltage, high-energy lithium-ion batteries.

Impacts of Vehicle Weight Reduction via Material Substitution on Life-Cycle Greenhouse Gas Emissions.

Science.gov (United States)

Kelly, Jarod C; Sullivan, John L; Burnham, Andrew; Elgowainy, Amgad

2015-10-20

This study examines the vehicle-cycle and vehicle total life-cycle impacts of substituting lightweight materials into vehicles. We determine part-based greenhouse gas (GHG) emission ratios by collecting material substitution data and evaluating that alongside known mass-based GHG ratios (using and updating Argonne National Laboratory's GREET model) associated with material pair substitutions. Several vehicle parts are lightweighted via material substitution, using substitution ratios from a U.S. Department of Energy report, to determine GHG emissions. We then examine fuel-cycle GHG reductions from lightweighting. The fuel reduction value methodology is applied using FRV estimates of 0.15-0.25, and 0.25-0.5 L/(100km·100 kg), with and without powertrain adjustments, respectively. GHG breakeven values are derived for both driving distance and material substitution ratio. While material substitution can reduce vehicle weight, it often increases vehicle-cycle GHGs. It is likely that replacing steel (the dominant vehicle material) with wrought aluminum, carbon fiber reinforced plastic (CRFP), or magnesium will increase vehicle-cycle GHGs. However, lifetime fuel economy benefits often outweigh the vehicle-cycle, resulting in a net total life-cycle GHG benefit. This is the case for steel replaced by wrought aluminum in all assumed cases, and for CFRP and magnesium except for high substitution ratio and low FRV.

Application of queuing theory in inventory systems with substitution flexibility

Science.gov (United States)

Seyedhoseini, S. M.; Rashid, Reza; Kamalpour, Iman; Zangeneh, Erfan

2015-03-01

Considering the competition in today's business environment, tactical planning of a supply chain becomes more complex than before. In many multi-product inventory systems, substitution flexibility can improve profits. This paper aims to prepare a comprehensive substitution inventory model, where an inventory system with two substitute products with ignorable lead time has been considered, and effects of simultaneous ordering have been examined. In this paper, demands of customers for both of the products have been regarded as stochastic parameters, and queuing theory has been used to construct a mathematical model. The model has been coded by C++, and it has been analyzed due to a real example, where the results indicate efficiency of proposed model.

Challenges of therapeutic substitution of drugs for economic reasons: focus on CVD prevention.

Science.gov (United States)

Johnston, Atholl

2010-04-01

Healthcare systems throughout the world are under increasing pressure to control and minimise costs. The substitution of initially-prescribed drugs with cheaper equivalents is an obvious option which presents a rapid and visible means to reduce these costs. Whether the substitution improves patient and/or population outcomes must be appraised and this paper highlights the conditions under which therapeutic substitution may require additional thought and consideration. In this paper, some of the medical evidence and the regulatory environment for and against the three types of therapeutic substitution - generic, within-class and between-class - are discussed. This article is not an exhaustive review of the literature, but captures some of the key clinical, pharmacological, economic, policy and ethical issues regarding generic and therapeutic substitution. Search criteria of the most commonly used terms, i.e. therapeutic substitution, switching, interchange, and bioequivalence, were applied to Embase, PubMed and Google Scholar to identify relevant publications. Although population studies support therapeutic substitution in principle, there is evidence that substitution may not always result in therapeutic equivalence in individual patients, with the consequent potential for greater risks of decreased efficacy and/or increased safety concerns. Factors such as patient choice and therapeutic equivalence also play an important role in the effectiveness of the treatment and overall management of the patient. The pan-European regulatory environment provides another contradiction, encouraging widespread cost containment through reduction in drug acquisition costs, while simultaneously promoting an increased role for patients in defining and managing their own treatment. There is a strong rationale for careful management in some patients with cardiovascular disease. Treatment decisions should be transparent and based on strong clinical evidence. If not, drug substitution on

Novel type of ornithine-glutathione double conjugate excreted as a major metabolite into the bile of rats administered clebopride.

Science.gov (United States)

Ishizuka, T; Komiya, I; Hiratsuka, A; Watabe, T

1990-06-01

Rats orally given radioactive Clebopride [[14C]CP; N-(1'-benzyl-4'-piperidyl)-2-[14C]methoxy-4-amino-5-chlorobenzamide++ +], an antiulcer agent, excreted a novel type of ornithine (Orn)-GSH double conjugate in the bile as a major metabolite [( 14C]BMCP), corresponding to 18% of the dose. The present study provides the first evidence for Orn conjugation of a xenobiotic in mammals and demonstrates that the structure of the radioactive conjugate differs fundamentally from those known in birds and reptiles. The structure of the biliary metabolite, [14C]BMCP, purified to homogeneity by silica gel thin layer and reverse phase high pressure liquid chromatography, was elucidated as S-[2-ornithylamino-4-[14C]methoxy-5-(1'-methyl-4'-piperidylamin o) carboxyphenyl]glutathione, based mainly on the following facts: 1) BMCP showed a protonated molecular ion (M + H)+ peak at m/z 683 in the secondary ion mass spectrum and 2) [14C]BMCP afforded Orn, glutamic acid, glycine, S-(2-amino-4-[14C]methoxy-5-carboxyphenyl)cysteine [( 14C]AMCC), and 1-methyl-4-aminopiperidine (MAP) quantitatively, in an equal molar ratio, by complete hydrolysis with peptidase. Thus, BMCP was a metabolite with three enzymatically hydrolyzable amide bonds in addition to the one existing originally in the parent structure of the drug, which produces MAP by peptic digestion. Of the three additional amide bonds of BMCP, one was a novel type of bond formed by condensation of the alpha-carboxylic acid group of Orn with the primary aromatic amino group of the drug and the other two were in the S-glutathionyl residue, substituted for the chlorine atom vicinal to the Orn-conjugating primary amino group in the aromatic ring and affording glutamic acid, glycine, and the S-cysteine conjugate AMCC by hydrolysis of BMCP with the peptidase. Substitution of a methyl group for the benzyl group at the piperidine ring nitrogen atom, leading to the formation of MAP by peptic digestion, also occurred during metabolism of CP to

Think Again: Higher Elasticity of Substitution Increases Economic Resilience

OpenAIRE

P. Dumas; S. Hallegatte

2009-01-01

This paper shows that, counter-intuitively, a higher elasticity of substitution in model production function can lead to reduced economic resilience and larger vulnerability to shocks in production factor prices. This result is due to the fact that assuming a higher elasticity of substitution requires a recalibration of the production function parameters to keep the model initial state unchanged. This result has consequences for economic analysis, e.g., on the economic vulnerability to climat...

Autonomy and Substitute Decision-Making with People with Intellectual Disabilities. Ethical Perspective

OpenAIRE

Xabier ETXEBERRIA MAULEON

2016-01-01

The text deals with the existing ethical tension between decision-making on behalf of people with intellectual disabilities and substitute decision-making, and the duty-bound respect for the person’s autonomy. The work begins by distinguishing decision- making on behalf of someone and substitute decision-making, consequently favoring the latter, as well as relating autonomy to interdependence. This first clarification leads to the construction of a basic and general criterion for substitute d...

Effect of Honey as Partial Sugar Substitute on Pasting Properties ...

African Journals Online (AJOL)

The effect of partial substitution of sugar with liquid honey on the pasting properties of cooked dough made from cassava-wheat composite (10:90) flour as well as the sensory preference and shelf stability of its bread was investigated. Sucrose (S) in the bread recipe formulation was substituted with honey (H) at levels 0, 10, ...

Design, Synthesis and Insecticidal Activities of Novel Phenyl Substituted Isoxazolecarboxamides

Institute of Scientific and Technical Information of China (English)

LIU Peng-fei; ZHANG Ji-feng; YAN Tao; XIONG Li-xia; LI Zheng-ming

2012-01-01

Thirteen novel phenyl substituted isoxazolecarboxamides were synthesized,and their structures were characterized by 1H NMR,elementary analysis and high-resolution mass spectrometry(HRMS) techniques.Their evaluated insecticidal activities against oriental armyworm(Mythimna separata) indicate that the phcnyl substituted isoxazolecarboxamides exhibited moderate insecticidal activities,among which compounds 9c and 9k showed comparatively higher activities.

Fine structure study on low concentration zinc substituted hydroxyapatite nanoparticles

International Nuclear Information System (INIS)

Hu, Wei; Ma, Jun; Wang, Jianglin; Zhang, Shengmin

2012-01-01

The fine structure of zinc substituted hydroxyapatite was studied using experimental analysis and first-principles calculations. The synthetic hydroxyapatite nanoparticles containing low Zn concentration show rod-like morphology. The crystallite sizes and unit-cell volumes tended to decrease with the increased Zn concentration according to X-ray diffraction patterns. The Zn K-edge X-ray absorption spectra and fitting results suggest that the hydroxyapatite doped with 0.1 mole% zinc is different in the zinc coordination environments compared with that containing more zinc. The density function theory calculations were performed on zinc substituted hydroxyapatite. Two mechanisms included replacing calcium by zinc and inserting zinc along the hydroxyl column and were investigated, and the related substitution energies were calculated separately. It is found that the substitution energies are negative and lowest for inserting zinc between the two oxygen atoms along the hydroxyl column (c-axis). Combined with the spectral analysis, it is suggested that the inserting mechanism is favored for low concentration zinc substituted hydroxyapatite. Highlights: ► We investigate the fine structure of hydroxyapatite with low content of Zn. ► XANES spectra are similar but a little different at low zinc content. ► Zinc ions influence hydroxyapatite crystal formation and lattice parameters. ► Formation energies are calculated according to plane-wave density function theory. ► Low content of zinc prefers to locate at hydroxyl column in hydroxyapatite lattice.

Synthesis, characterization and pharmacological evaluation of substituted phenoxy acetamide derivatives

Directory of Open Access Journals (Sweden)

Rani Priyanka

2015-01-01

Full Text Available A novel series of 2-(substituted phenoxy-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylacetamide and N-(2-bromocyclohexyl-2-(substituted phenoxyacetamide derivatives having cyclohexyl nucleus as common in both types were synthesized and assessed for their anti-inflammatory activity by a carrageenan induced rat paw oedema method, analgesic activity by Eddy’s hot plate method and antipyretic activity by brewer’s yeast induced pyrexia method. All the novel derivatives have been synthesized by the reaction of camphor and similar ketone having cyclohexane nucleus (e.g. 2-bromocyclohexanone with ammonium carbonate and formic acid resulting in the formation of aromatic amines (1a-b. These amines on further chloroacetylation with chloroacetylchloride give compounds (2a-b. Compounds (2a-b are converted to 2-(substituted phenoxy-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetamide and N-(2-bromocyclohexyl-2-(substituted phenoxyacetamide derivatives on treatment with substituted phenol. Among the series 3a-f, 3i, 3k, 3l compounds showed significant anti-inflammatory activity as compared to the standard drug diclofenac sodium and also compound 3a-f, 3h, 3j, 3k exhibit significant analgesic activity as compared to the standard drug. Compounds 3a-f and 3k showed antipyretic activity nearly to the standard drug indomethacin. Compounds 3a-f and 3k possess anti-inflammatory, analgesic and antipyretic activities near to the standard.

prismane structure by silicon substitution

Indian Academy of Sciences (India)

Using the second-order Møller–Plesset perturbation (MP2) theoretic method and the cc-pVDZ basis set, it is shown that with an increase in the number of carbon atoms substituted by silicon, the [6]-prismane structure becomes increasingly more stable, relative to the two isolated benzene (like) structures. A similar trend is ...

3-Substituted 2-phenyl-indoles

DEFF Research Database (Denmark)

Johansson, Karl Henrik; Jørgensen, T.B.; Gloriam, D.E.

2013-01-01

-indoles with a variety of substituents at the indole 3-position. Herein we describe the development of optimised and efficient synthetic routes to a series of new 2-phenyl-indole building blocks 3 to 9 and show that these can be used to generate a broad variety of 3-substituted 2-phenyl-indoles of interest to medicinal...

Kinetics on the reaction of substituted quinolines and p-substituted benzoylchlorides under various pressures

International Nuclear Information System (INIS)

Kim, Young Cheul; Lim, Jong Wan; Choi, Sung Yong; Kim, Se Kyong

1999-01-01

The reaction rates of substituted quinolines(6-CH 3 C 9 H 7 N, C 9 H 7 N) with p-substituted benzoylchlorides(p-CH 3 , p-H, p-NO 2 ) have been measured by conductometry in acetonitrile, and the rate constants are determined at various temperatures (10,15, 20, 25 .deg. C) and pressures(1, 200, 500, 1000bar). From the values of rate constants, the activation parameters(Ea, ΔV ≠ , ΔS ≠ , and ΔG ≠ ) and the pressure dependence of Hammett ρ values were determined. The rate constants increase as a function of temperatures and pressures, and are further increase by introduction the electron donor substituents in nucleophile(p-CH 3 ) or electron acceptor(p-NO 2 ) substituents in substrate. The activation volume, and the activation entropy are all negative. Hammett ρ values are also negative for nucleophile (ρ X ) and positive for the substrate (ρ Y ) over the pressure range studied. The results of kinetic studies for pressure and substituent show that these reactions proceed in typical S N 2 reaction mechanism and 'associative S N 2' in which bond formation favored with increasing pressures

Synthesis and molecular structures of 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles

International Nuclear Information System (INIS)

Wu, J.W.; Zhao, L.; Wang, Z.; Gu, H.; Chen, W.; Zhao, C.

2016-01-01

Five novel 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles were synthesized by a three-step route. Under microwave irradiation, the p-substituted phenols were firstly O-carboxymethylated to prepare the corresponding p-substituted phenoxymethyl acids, which then reacted with o-phenylendiamine to get the key intermediates 2-(p-substituted) phenoxymethyl benzimidazole. Finally, the solid-liquid phase transfer catalysis method, where tetrabutyl ammonium bromide (TBAB) was used as the catalyst, was applied to synthesize the target compounds c/sub 1/-c/sub 5/ by the N-hydroxyethylation reaction with 2-chloroethyl alcohol. The structures of the obtained compounds were well characterized and confirmed by elemental analysis, MS, IR, /sup 1/H NMR, /sup 13/C NMR and single-crystal X-ray diffraction analysis. (author)

Cannabis as a substitute for prescription drugs – a cross-sectional study

Directory of Open Access Journals (Sweden)

Corroon Jr JM

2017-05-01

Full Text Available James M Corroon Jr,1 Laurie K Mischley,2 Michelle Sexton3 1Center for Medical Cannabis Education, Del Mar, CA, 2Bastyr University Research Institute, Kenmore, WA, 3Department of Medical Research, Center for the Study of Cannabis and Social Policy, Seattle, WA, USA Background: The use of medical cannabis is increasing, most commonly for pain, anxiety and depression. Emerging data suggest that use and abuse of prescription drugs may be decreasing in states where medical cannabis is legal. The aim of this study was to survey cannabis users to determine whether they had intentionally substituted cannabis for prescription drugs.Methods: A total of 2,774 individuals were a self-selected convenience sample who reported having used cannabis at least once in the previous 90 days. Subjects were surveyed via an online anonymous questionnaire on cannabis substitution effects. Participants were recruited through social media and cannabis dispensaries in Washington State.Results: A total of 1,248 (46% respondents reported using cannabis as a substitute for prescription drugs. The most common classes of drugs substituted were narcotics/opioids (35.8%, anxiolytics/benzodiazepines (13.6% and antidepressants (12.7%. A total of 2,473 substitutions were reported or approximately two drug substitutions per affirmative respondent. The odds of reporting substituting were 4.59 (95% confidence interval [CI], 3.87–5.43 greater among medical cannabis users compared with non-medical users and 1.66 (95% CI, 1.27–2.16 greater among those reporting use for managing the comorbidities of pain, anxiety and depression. A slightly higher percentage of those who reported substituting resided in states where medical cannabis was legal at the time of the survey (47% vs. 45%, p=0.58, but this difference was not statistically significant.Discussion: These patient-reported outcomes support prior research that individuals are using cannabis as a substitute for prescription drugs

A safer alternative: Cannabis substitution as harm reduction.

Science.gov (United States)

Lau, Nicholas; Sales, Paloma; Averill, Sheigla; Murphy, Fiona; Sato, Sye-Ok; Murphy, Sheigla

2015-11-01

Substitution is operationalised as a conscious choice made by users to use one drug instead of, or in conjunction with another based on: perceived safety, level of addiction potential, effectiveness in relieving symptoms, access and level of acceptance. Harm reduction is a set of strategies that aim to minimise problems associated with drug use while recognising that for some users, abstinence may be neither a realistic nor a desirable goal. In this paper, we aim for deeper understandings of older adult cannabis users' beliefs and substitution practices as part of the harm reduction framework. We present selected findings from our qualitative study of Baby Boomer (born 1946-1964) marijuana users in the San Francisco Bay Area. Although the sample consisted of primary cannabis users, many had personal experience with other drugs throughout their lifetimes. Data collection consisted of an audio-recorded, semi-structured in-depth life history interview followed by a questionnaire and health survey. Qualitative interviews were analysed to discover users' harm reduction beliefs and cannabis substitution practices. Study participants described using cannabis as a safer alternative for alcohol, illicit drugs and pharmaceuticals based on their perceptions of less adverse side effects, low-risk for addiction and greater effectiveness at relieving symptoms, such as chronic pain. Cannabis substitution can be an effective harm reduction method for those who are unable or unwilling to stop using drugs completely. More research is needed on cannabis as a safer alternative. © 2015 Australasian Professional Society on Alcohol and other Drugs.

7 CFR 3015.311 - Simplification, consolidation, or substitution of State plans.

Science.gov (United States)

2010-01-01

... 7 Agriculture 15 2010-01-01 2010-01-01 false Simplification, consolidation, or substitution of... (Continued) OFFICE OF THE CHIEF FINANCIAL OFFICER, DEPARTMENT OF AGRICULTURE UNIFORM FEDERAL ASSISTANCE... Simplification, consolidation, or substitution of State plans. (a) As used in this section: (1) Simplify means...

Modeling Alkyl p-Methoxy Cinnamate (APMC) as UV absorber based on electronic transition using semiempirical quantum mechanics ZINDO/s calculation

Science.gov (United States)

Salmahaminati; Azis, Muhlas Abdul; Purwiandono, Gani; Arsyik Kurniawan, Muhammad; Rubiyanto, Dwiarso; Darmawan, Arif

2017-11-01

In this research, modeling several alkyl p-methoxy cinnamate (APMC) based on electronic transition by using semiempirical mechanical quantum ZINDO/s calculation is performed. Alkyl cinnamates of C1 (methyl) up to C7 (heptyl) homolog with 1-5 example structures of each homolog are used as materials. Quantum chemistry-package software Hyperchem 8.0 is used to simulate the drawing of the structure, geometry optimization by a semiempirical Austin Model 1 algorithm and single point calculation employing a semiempirical ZINDO/s technique. ZINDO/s calculations use a defined criteria that singly excited -Configuration Interaction (CI) where a gap of HOMO-LUMO energy transition and maximum degeneracy level are 7 and 2, respectively. Moreover, analysis of the theoretical spectra is focused on the UV-B (290-320 nm) and UV-C (200-290 nm) area. The results show that modeling of the compound can be used to predict the type of UV protection activity depends on the electronic transition in the UV area. Modification of the alkyl homolog relatively does not change the value of wavelength absorption to indicate the UV protection activity. Alkyl cinnamate compounds are predicted as UV-B and UV-C sunscreen.

Diastereoselective Au-Catalyzed Allene Cycloisomerizations to Highly Substituted Cyclopentenes.

Science.gov (United States)

Reeves, Ryan D; Phelps, Alicia M; Raimbach, William A T; Schomaker, Jennifer M

2017-07-07

Site- and regiocontrolled Au-catalyzed allene carbocyclizations furnish highly substituted cyclopentenes in >1:1 dr. Significant substitution on the substrate is tolerated, with potential to install five contiguous stereocenters after alkene functionalization. Major challenges include identifying a Au/Cu catalyst that controls both the relative rates of allene epimerization/cyclization and the facial selectivity in addition of a metal enolate to the allene. Experiments to achieve stereodivergent cyclizations and transform key cyclopentenes into useful synthetic building blocks are described.

A Novel Image Stream Cipher Based On Dynamic Substitution

OpenAIRE

Elsharkawi, A.; El-Sagheer, R. M.; Akah, H.; Taha, H.

2016-01-01

Recently, many chaos-based stream cipher algorithms have been developed. Traditional chaos stream cipher is based on XORing a generated secure random number sequence based on chaotic maps (e.g. logistic map, Bernoulli Map, Tent Map etc.) with the original image to get the encrypted image, This type of stream cipher seems to be vulnerable to chosen plaintext attacks. This paper introduces a new stream cipher algorithm based on dynamic substitution box. The new algorithm uses one substitution b...

complexes based on meso-substituted dipyrrins

Indian Academy of Sciences (India)

Keywords. Coordination polymers; meso-substituted dipyrrins; heteroleptic; acetylacetonato; ... Room temperature magnetic susceptibility measurements were ... After cooling to ambient tem- perature it ... crystals of 1 were obtained from CH2Cl2/ hexane (1. : 1) solution. .... are air-stable, crystalline solids, soluble in common.

Facile Synthesis of N -Substituted Benzimidazoles

NARCIS (Netherlands)

Kurhade, Santosh; Rossetti, Arianna; Dömling, Alexander

2016-01-01

A particularly mild and efficient one-pot synthesis of N-substituted benzimidazole derivatives was developed. 2-Fluoro-5-nitrophenylisocyanide reacts with a diverse set of primary amines to afford the respective products in moderate to very good yield (35-95%; 20 examples).

Use of rice straw ash as substitute of feldspar in triaxial porcelain

International Nuclear Information System (INIS)

Alvaro Guzman, A.; Silverio Delvasto, A.; Enrique Sanchez, V.; Vicente Amigo, B.

2013-01-01

The substitution of raw materials for processing high energy consumption materials by agricultural and agro-industrial wastes causes a positive impacts on the environment preservation. One of these residues is rice straw, which according to FAO estimation, its annual production is about 600 million tons. In this research was studied the use of rice straw ash as substitute of the use of feldspar in the white ware production. Clay-feldspar-quartz porcelains are referred to as triaxial white ware. Specimens of semidry triaxial mixtures, where feldspar was substituted for different percentages of CTA, were prepared by uniaxial pressing, followed by drying and sintering. Physical and mechanical properties of sintered bodies were evaluated. The porosity and the compressive strength of the fired pieces do increase with additions of up to 75% of CTA in substitution of feldspar. Their mineralogical phases were determined by DRX and SEM; grains of quartz, and needles of primary and secondary mullite were identified in a vitreous phase. It was concluded that feldspar can be substituted positively by CTA in white ware pastes. (Author) 22 refs.

The improved magnetic properties in phosphorus substituted Pr-Fe-P-B nanocomposites

International Nuclear Information System (INIS)

Jin, Z.Q.; Zhang, Y.; Wang, H.L.; Klaessig, A.; Bonder, M.; Hadjipanayis, G.C.

2003-01-01

Phosphorus substituted (Pr,Tb) 8 (Fe,Nb,Zr,P) 88 B 4 nanocomposites have been produced by melt-spinning. The effects of phosphorus substitution as well as wheel speed on the crystallization behavior and magnetic properties of the melt-spun samples have been investigated. With the substitution of phosphorus, the crystallization temperature of amorphous phase increases. The optimum wheel speed was found to be around 25 m/s for as-spun ribbons and 40 m/s for the annealed samples, both of which present excellent second quadrant hysteresis loop shapes due to the fine grain size of α-Fe which is around 20 nm. The addition of phosphorus also greatly improves the coercivity of Pr-Fe-B nanocomposites without a significant loss of saturation magnetization. A higher coercivity of 9.2 kOe in P-substituted samples was obtained as compared to 8.1 kOe in P-free samples. This is attributed to a narrower temperature span between the crystallization into TbCu 7 structure and the transformation into the 2:14:1 phase caused by the phosphorus substitution

Synthesis of Randomly Substituted Anionic Cyclodextrins in Ball Milling

Directory of Open Access Journals (Sweden)

László Jicsinszky

2017-03-01

Full Text Available A number of influencing factors mean that the random substitution of cyclodextrins (CD in solution is difficult to reproduce. Reaction assembly in mechanochemistry reduces the number of these factors. However, lack of water can improve the reaction outcomes by minimizing the reagent’s hydrolysis. High-energy ball milling is an efficient, green and simple method for one-step reactions and usually reduces degradation and byproduct formation. Anionic CD derivatives have successfully been synthesized in the solid state, using a planetary ball mill. Comparison with solution reactions, the solvent-free conditions strongly reduced the reagent hydrolysis and resulted in products of higher degree of substitution (DS with more homogeneous DS distribution. The synthesis of anionic CD derivatives can be effectively performed under mechanochemical activation without significant changes to the substitution pattern but the DS distributions were considerably different from the products of solution syntheses.

The electronic configuration of substitutional Fe in silicon

CERN Document Server

Weyer, G; Fanciulli, M; Fedosseev, V; Gunnlaugsson, H P; Mishin, V I; Sielemann, R

1999-01-01

Ion implantations of radioactive /sup 57/Mn/sup +/ into differently doped silicon single crystals held at 300-600 K have been utilized for /sup 57/Fe Mossbauer studies of interstitial and substitutional Fe. Site and charge state assignments have been made on the basis of the determined hyperfine interaction parameters and Debye temperatures. Substantial fractions of substitutional /sup 57/Mn probe atoms are proposed to occur due to annealing reactions. This site is maintained in the subsequent decay to /sup 57/Fe by

Ionic Liquids: An Environmentally Friendly Media for Nucleophilic Substitution Reactions

International Nuclear Information System (INIS)

Jorapur, Yogesh R.; Chi, Dae Yoon

2006-01-01

Ionic liquids are alternative reaction media of increasing interest and are regarded as an eco-friendly alternatives, of potential use in place of the volatile organic solvents typically used in current chemical processing methods. They are emerging as the smart and excellent solvents, which are made of positive and negative ions that they are liquids near room temperature. The nucleophilic substitution reaction is one of the important method for inserting functional groups into a carbon skeleton. Many nucleophilic substitution reactions have been found with enhanced reactivity and selectivity in ionic liquid. In this review, some recent interesting results of nucleophilic substitution reactions such as hydroxylations, ether cleavages, carbon-X (X = carbon, oxygen, nitrogen, fluorine) bond forming reactions, and ring opening of epoxides in ionic liquids are discussed

Inhibition of LPS-induced splenocyte proliferation by ortho-substituted polychlorinated biphenyl congeners

International Nuclear Information System (INIS)

Smithwick, L. Ashley; Smith, Andrew; Quensen, John F.; Stack, Allison; London, Lucille; Morris, Pamela J.

2003-01-01

Polychlorinated biphenyls (PCBs) are persistent environmental contaminants, and their ubiquitous nature has prompted studies of their potential health hazards. As a result of their lipophilic nature, PCBs accumulate in breast milk and subsequently affect the health of offspring of exposed individuals. Biological effects of PCBs in animals have mostly been attributed to coplanar congeners, although effects of ortho congeners also have been demonstrated. To investigate the relationship of immunotoxicity and chlorine substitution pattern, the effects of PCB congeners and mixtures of ortho and non-ortho-substituted constituents of Aroclor 1242 on splenocytes from C57B1/6 mice were examined. The immunotoxic endpoints investigated included splenocyte viability, lipopolysaccharide (LPS)-induced splenocyte proliferation, and LPS-induced antibody secretion. Congeners with multiple ortho chlorines preferentially inhibited splenocyte proliferation as compared with non- or mono-ortho-substituted congeners. However, mixtures of non- and mono-ortho-substituted congeners and multi-ortho-substituted congeners inhibited LPS-induced splenocyte proliferation and antibody secretion at similar concentrations. Exposure of splenocytes to these mixtures did not activate the aryl hydrocarbon receptor (AhR) signal transduction pathway. These results suggest individual multi-ortho-substituted congeners preferentially inhibit LPS-induced splenocyte proliferation, while congeners not exhibiting an effect individually may have additive effects in a mixture to produce an immunotoxic response through an AhR-independent pathway

[The social portrait of substitute families and modes of development of medical pedagogical monitoring].

Science.gov (United States)

Aver'ianova, N I; Khanova, N A

2014-01-01

The study demonstrated that in Russia the major cause of orphanage is a social life-style of biological parents of orphan children. The substitute families are more often large with number of children from 3 to 8 and quarter of them are incomplete. The mean age of substitute parent consists 47.8 ± 1.4 years. The leading motivation to take orphan child/or education in family is the availability of kindred relationship regarding child or "deserted nest syndrome". At the initial phase of establishing of substitute family the most of substitute parents/tutors face with problems of health status and behavioral deviations of foster children. The substitute parents are unsatisfied with quality of medical monitoring of foster children. They also suffer fromdeficiency of information concerning characteristics of development, health conditions and modes of rehabilitation of children. In the judgment of substitute parents/tutors placing child into family conditions effects positively on one's development and health, behavior and emotional background. In substitute families, conditions organized for children can be named as approximated to conditions of residing in biological (home) families. The system of medical psychological and pedagogical monitoring of children of this category is needed in further development.

Synthesis of 4-Triazolylamino- and 4-Benzothiazolylamino-3-nitro-2H-[1]-Benzopyran-2-ones and their Antimicrobial Activity

OpenAIRE

Ramiz Hoti; Aferdita Nura-Lama; Gjyle Mulliqi-Osmani; Naser Troni; Fatbardh Gashi; Hamit Ismaili; Veprim Thaci

2014-01-01

Novel substituted benzopyran-2-one derivatives were synthesized by catalytic condensation reactions under reflux conditions. 4-(1,2,4-Triazolyl-3-amino)-3-nitro-2H-[1]-benzopyran-2-ones 4(a-b) were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2) and corresponding 3-aminotriazoles 3(a-b). 4-(4’-methoxy-2-benzothiazolylamino)-3-nitro-2H-[1]-benzopyran-2-one (4c), 4-(6’-nitro-2-benzothiazolylamino)-3-nitro-2H-[1]-benzopyiran-2-one (4d) and 4-(6’-fluoro-2-benzothiazoly...

A novel non-toxic xylene substitute (SBO) for histology.

Science.gov (United States)

Kunhua, Wang; Chuming, Fan; Tao, Lai; Yanmei, Yang; Xin, Yang; Xiaoming, Zhang; Xuezhong, Guo; Xun, Lai

2012-01-01

Xylene has been generally used as a clearing and deparaffinizing agent in histology. Because of the potential toxic and flammable nature of xylene, its substitutes have been introduced into some laboratories. In this study, we introduced a novel, non-toxic xylene substitute (SBO), which was generated through a mixture of 86% of white oil No.2 and 14% of N-heptane. SBO had a high boiling point (188°C) and flash point (144°C) coupled with a scentless and decreased volatility. To compare the effectiveness of SBO and xylene in histology, a wide range of tissue samples from rats and human beings were processed in parallel in SBO and xylene, subjected to various staining procedures. Similar to the xylene-processed paraffin blocks, the SBO-processed counterparts were easy to section without any evidence of cell shrinkage. Assessment of the SBO-treated sections stained with hematoxylin-eosin revealed a good maintenance of cell morphology and structure, and a clear definition of the cytoplasm and the nucleus. Moreover, comparable good results were achieved between the SBO- and xylene-processed tissues in other histochemical and immunohistochemical stainings. Six-month clinical applications at one department of pathology supported the potentials of SBO as a xylene substitute. In conclusion, we suggest that SBO is a safe and efficient substitute of xylene and may probably replace xylene without losing valuable diagnostic information.

Enantioconvergent synthesis by sequential asymmetric Horner-Wadsworth-Emmons and palladium-catalyzed allylic substitution reactions

DEFF Research Database (Denmark)

Pedersen, Torben Møller; Hansen, E. Louise; Kane, John

2001-01-01

A new method for enantioconvergent synthesis has been developed. The strategy relies on the combination of an asymmetric Horner-Wadsworth-Emmons (HWE) reaction and a palladium-catalyzed allylic substitution. Different $alpha@-oxygen-substituted, racemic aldehydes were initially transformed by asy...... the allylic stereocenter and the alkene geometry. Thus, a single $gamma@-substituted ester was obtained as the overall product, in high isomeric purity. The method was applied to a synthesis of a subunit of the iejimalides, a group of cytotoxic macrolides.......A new method for enantioconvergent synthesis has been developed. The strategy relies on the combination of an asymmetric Horner-Wadsworth-Emmons (HWE) reaction and a palladium-catalyzed allylic substitution. Different $alpha@-oxygen-substituted, racemic aldehydes were initially transformed...... by asymmetric HWE reactions into mixtures of two major $alpha@,$beta@-unsaturated esters, possessing opposite configurations at their allylic stereocenters as well as opposite alkene geometry. Subsequently, these isomeric mixtures of alkenes could be subjected to palladium-catalyzed allylic substitution...

Inconsistent Distances in Substitution Matrices can be Avoided by Properly Handling Hydrophobic Residues

Directory of Open Access Journals (Sweden)

J. Baussand

2008-01-01

Full Text Available The adequacy of substitution matrices to model evolutionary relationships between amino acid sequences can be numerically evaluated by checking the mathematical property of triangle inequality for all triplets of residues. By converting substitution scores into distances, one can verify that a direct path between two amino acids is shorter than a path passing through a third amino acid in the amino acid space modeled by the matrix. If the triangle inequality is not verified, the intuition is that the evolutionary signal is not well modeled by the matrix, that the space is locally inconsistent and that the matrix construction was probably based on insufficient biological data. Previous analysis on several substitution matrices revealed that the number of triplets violating the triangle inequality increases with sequence divergence. Here, we compare matrices which are dedicated to the alignment of highly divergent proteins. The triangle inequality is tested on several classical substitution matrices as well as in a pair of “complementary” substitution matrices recording the evolutionary pressures inside and outside hydrophobic blocks in protein sequences. The analysis proves the crucial role of hydrophobic residues in substitution matrices dedicated to the alignment of distantly related proteins.

Convergent evolution of marine mammals is associated with distinct substitutions in common genes

Science.gov (United States)

Zhou, Xuming; Seim, Inge; Gladyshev, Vadim N.

2015-01-01

Phenotypic convergence is thought to be driven by parallel substitutions coupled with natural selection at the sequence level. Multiple independent evolutionary transitions of mammals to an aquatic environment offer an opportunity to test this thesis. Here, whole genome alignment of coding sequences identified widespread parallel amino acid substitutions in marine mammals; however, the majority of these changes were not unique to these animals. Conversely, we report that candidate aquatic adaptation genes, identified by signatures of likelihood convergence and/or elevated ratio of nonsynonymous to synonymous nucleotide substitution rate, are characterized by very few parallel substitutions and exhibit distinct sequence changes in each group. Moreover, no significant positive correlation was found between likelihood convergence and positive selection in all three marine lineages. These results suggest that convergence in protein coding genes associated with aquatic lifestyle is mainly characterized by independent substitutions and relaxed negative selection. PMID:26549748

Stiffness compatibility of coralline hydroxyapatite bone substitute under dynamic loading

Institute of Scientific and Technical Information of China (English)

REN ChaoFeng; HOU ZhenDe; ZHAO Wei

2009-01-01

When hydroxyapatite bone substitutes are implanted in human bodies, bone tissues will grow into their porous structure, which will reinforce their strength and stiffness. The concept of mechanical com-patibility of bone substitutes implies that their mechanical properties are similar to the bone tissues around, as if they were part of the bone. The mechanical compatibility of bone substitutes includes both static and dynamic behavior, due to the mechanical properties of bone depending on the strain rate. In this study, split Hopkinson pressure bar technique (SHPB) was employed to determine the dy-namic mechanical properties of coralline hydroxyapatite, bones with and bones without organic com-ponents, and their dynamic stress-strain curves of the three materials were obtained. The mechanical effects of collagens in bone were assessed, by comparing the difference between the Young's moduli of the three materials. As the implanted bone substitute becomes a part of bone, it can be regarded as an inclusion composite. The effective modulus of the composite was also evaluated in order to estimate its mechanical compatibility on stiffness. The evaluated result shows that the suitable porosity of HA is0.8, which is in favor of both static and dynamic stiffness compatibility.

Substitutional Doping for Aluminosilicate Mineral and Superior Water Splitting Performance

Science.gov (United States)

Zhang, Yi; Fu, Liangjie; Shu, Zhan; Yang, Huaming; Tang, Aidong; Jiang, Tao

2017-07-01

Substitutional doping is a strategy in which atomic impurities are optionally added to a host material to promote its properties, while the geometric and electronic structure evolution of natural nanoclay mineral upon substitutional metal doping is still ambiguous. This paper first designed an efficient lanthanum (La) doping strategy for nanotubular clay (halloysite nanotube, HNT) through the dynamic equilibrium of a substitutional atom in the presence of saturated AlCl3 solution, and systematic characterization of the samples was performed. Further density functional theory (DFT) calculations were carried out to reveal the geometric and electronic structure evolution upon metal doping, as well as to verify the atom-level effect of the La doping. The CdS loading and its corresponding water splitting performance could demonstrate the effect of La doping. CdS nanoparticles (11 wt.%) were uniformly deposited on the surface of La-doped halloysite nanotube (La-HNT) with the average size of 5 nm, and the notable photocatalytic hydrogen evolution rate of CdS/La-HNT reached up to 47.5 μmol/h. The results could provide a new strategy for metal ion doping and constructive insight into the substitutional doping mechanism.

The substitution reaction of (CNC)Fe-2N₂ with CO.

Science.gov (United States)

Liu, Hongyan; Liu, Shuangshuang; Zhang, Xiang

2013-06-01

The substitution mechanism of two N₂ ligands in (CNC)Fe-2N₂ replaced by CO was studied theoretically at the B3LYP/LACVP* level. Both SN1 and SN₂ mechanisms were considered. The calculated results for the gas phase suggested that: 1) in SN1 mechanism, N₂ elimination, which involves S₀-T₁ PESs crossing, is the rate control step for both substitution stages. The barrier heights are 9.7 kcal mol(-1) and 13.05 kcal mol(-1), respectively. 2) In SN2 mechanism, the calculated barrier heights on LS PES are respectively 13.7 and 19.83 kcal mol(-1) for the two substitution steps, but S₀-T₁ PESs crossing lowers the two barriers to 10.7 and 15.7 kcal mol(-1), respectively. 3) Inclusion of solvation effect of THF by PCM model, the relative energies of all the key species (including minima, transition states and S₀-T₁ crossing points) do not have great difference from their gas phase relative energies. Considering that for each substitution step, SN1 barrier heights is slightly smaller than SN2 barrier, SN1 mechanism seems to be slightly preferable to SN2 mechanism.

Novel star-type methoxy-poly(ethylene glycol) (PEG)-poly({epsilon}-caprolactone) (PCL) copolymeric nanoparticles for controlled release of curcumin

Energy Technology Data Exchange (ETDEWEB)

Feng Runliang; Zhu Wenxia; Song Zhimei, E-mail: zhimei_song@126.com [University of Jinan, Shandong Academy of Medical Science, Department of Pharmaceutical Engineering, School of Medicine and Life Sciences (China); Zhao Liyan [Hebei North University, Department of Pharmacy (China); Zhai Guangxi [Shandong University, Department of Pharmaceutics, College of Pharmacy (China)

2013-06-15

To improve curcumin's (CURs) water solubility and release property, a novel star methoxy poly(ethylene glycol)-poly({epsilon}-caprolactone) (MPEG-PCL) copolymer was synthesized through O-alkylation, basic hydrolysis and ring-opening polymerization reaction with MPEG, epichlorohydrin, and {epsilon}-caprolactone as raw materials. The structure of the novel copolymer was characterized by {sup 1}H NMR, FT-IR, and GPC. The results of FT-IR and differential scanning calorimeter of CUR-loaded nanoparticles (NPs) prepared by dialysis method showed that CUR was successfully encapsulated into the SMP12 copolymeric NPs with 98.2 % of entrapment efficiency, 10.91 % of drug loading, and 88.4 {+-} 11.2 nm of mean particle diameter in amorphous forms. The dissolubility of nanoparticulate CUR was increased by 1.38 Multiplication-Sign 10{sup 5} times over CUR in water. The obtained blank copolymer showed no hemolysis. A sustained CUR release to a total of approximately 56.13 % was discovered from CUR-NPs in 40 % of ethanol saline solution within 72 h on the use of dialysis method. The release behavior fitted the ambiexponent and biphasic kinetics equation. In conclusion, the copolymeric NPs loading CUR might serve as a potential nanocarrier to improve the solubility and release property of CUR.

Effects of methoxy and formyl substituents on the energetics and reactivity of α-naphthalenes: a calorimetric and computational study.

Science.gov (United States)

Silva, Ana L R; Freitas, Vera L S; Ribeiro da Silva, Maria D M C

2014-07-01

A combined experimental and computational study was developed to evaluate and understand the energetics and reactivity of formyl and methoxy α-naphthalene derivatives. Static bomb combustion calorimetry and the Calvet microcalorimetry were the experimental techniques used to determine the standard (p(o)=0.1 MPa) molar enthalpies of formation, in the liquid phase, ΔfHm(o)(l), and of vaporization, Δl(g)Hm(o), at T=298.15K, respectively, of the two liquid naphthalene derivatives. Those experimental values were used to derive the values of the experimental standard molar enthalpies of formation, in the gaseous phase, ΔfHm(o)(g), of 1-methoxynaphthalene, (-3.0 ± 3.1)kJmol(-1), and of 1-formylnaphthalene, (36.3 ± 4.1)kJ mol(-1). High-level quantum chemical calculations at the composite G3(MP2)//B3LYP level were performed to estimate the values of the ΔfHm(o)(g) of the two compounds studied resulting in values in very good agreement with experimental ones. Natural bond orbital (NBO) calculations were also performed to determine more about the structure and reactivity of this class of compounds. Copyright © 2013 Elsevier Ltd. All rights reserved.

Novel star-type methoxy-poly(ethylene glycol) (PEG)-poly(ɛ-caprolactone) (PCL) copolymeric nanoparticles for controlled release of curcumin

Science.gov (United States)

Feng, Runliang; Zhu, Wenxia; Song, Zhimei; Zhao, Liyan; Zhai, Guangxi

2013-06-01

To improve curcumin's (CURs) water solubility and release property, a novel star methoxy poly(ethylene glycol)-poly(ɛ-caprolactone) (MPEG-PCL) copolymer was synthesized through O-alkylation, basic hydrolysis and ring-opening polymerization reaction with MPEG, epichlorohydrin, and ɛ-caprolactone as raw materials. The structure of the novel copolymer was characterized by 1H NMR, FT-IR, and GPC. The results of FT-IR and differential scanning calorimeter of CUR-loaded nanoparticles (NPs) prepared by dialysis method showed that CUR was successfully encapsulated into the SMP12 copolymeric NPs with 98.2 % of entrapment efficiency, 10.91 % of drug loading, and 88.4 ± 11.2 nm of mean particle diameter in amorphous forms. The dissolubility of nanoparticulate CUR was increased by 1.38 × 105 times over CUR in water. The obtained blank copolymer showed no hemolysis. A sustained CUR release to a total of approximately 56.13 % was discovered from CUR-NPs in 40 % of ethanol saline solution within 72 h on the use of dialysis method. The release behavior fitted the ambiexponent and biphasic kinetics equation. In conclusion, the copolymeric NPs loading CUR might serve as a potential nanocarrier to improve the solubility and release property of CUR.

Experimental Determination of Activation Energy of Nucleophilic Aromatic Substitution on Porphyrins

Science.gov (United States)

Rizvi, Waqar; Khwaja, Emaad; Siddiqui, Saim; Bhupathiraju, N. V. S. Dinesh K.; Drain, Charles Michael

2018-01-01

A physical organic chemistry experiment is described for second-year college students. Students performed nucleophilic aromatic substitution (NAS) reactions on 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin (TPPF[subscript 20]) using three different nucleophiles. Substitution occurs preferentially at the 4-position ("para")…

Exfoliation and thermal transformations of Nb-substituted layered titanates

DEFF Research Database (Denmark)

Song, H.; Sjåstad, Anja O.; Fjellvåg, Helmer

2011-01-01

Single-layer Nb-substituted titanate nanosheets of ca. 1 nm thickness were obtained by exfoliating tetrabutylammonium (TBA)-intercalated Nb-substituted titanates in water. AFM images and turbidity measurements reveal that the exfoliated nanosheets crack and corrugate when sonicated. Upon heating...... factors for increasing the transformation temperatures for conversion of the nanosheets to anatase and finally into rutile. It is further tempting to link the delay in crystallization to morphology limitations originating from the nanosheets. The present work shows that layered Nb-titanates...

Estimating intertemporal and intratemporal substitutions when both income and substitution effects are present: the role of durable goods

Czech Academy of Sciences Publication Activity Database

Pakoš, Michal

2011-01-01

Roč. 29, č. 3 (2011), s. 439-454 ISSN 0735-0015 Institutional research plan: CEZ:AV0Z70850503 Keywords : durable goods * intertemporal substitution * nonhomotheticity Subject RIV: AH - Economics Impact factor: 1.779, year: 2011

Sucrose substitutes affect the cariogenic potential of Streptococcus mutans biofilms.

Science.gov (United States)

Durso, S C; Vieira, L M; Cruz, J N S; Azevedo, C S; Rodrigues, P H; Simionato, M R L

2014-01-01

Streptococcus mutans is considered the primary etiologic agent of dental caries and contributes significantly to the virulence of dental plaque, especially in the presence of sucrose. To avoid the role of sucrose on the virulence factors of S. mutans, sugar substitutes are commonly consumed because they lead to lower or no production of acids and interfere with biofilm formation. This study aimed to investigate the contribution of sugar substitutes in the cariogenic potential of S. mutans biofilms. Thus, in the presence of sucrose, glucose, sucralose and sorbitol, the biofilm mass was quantified up to 96 h, the pH of the spent culture media was measured, the expression of biofilm-related genes was determined, and demineralization challenge experiments were conduct in enamel fragments. The presence of sugars or sugar substitutes profoundly affected the expression of spaP, gtfB, gtfC, gbpB, ftf, vicR and vicX in either biofilm or planktonic cells. The substitution of sucrose induced a down-regulation of most genes involved in sucrose-dependent colonization in biofilm cells. When the ratio between the expression of biofilm and planktonic cells was considered, most of those genes were down-regulated in biofilm cells in the presence of sugars and up-regulated in the presence of sugar substitutes. However, sucralose but not sorbitol fulfilled the purpose of reducing the cariogenic potential of the diet since it induced the biofilm formation with the lowest biomass, did not change the pH of the medium and led to the lowest lesion depth in the cariogenic challenge.

Controlled release of 9-nitro-20(S)-camptothecin from methoxy poly(ethylene glycol)-poly(D,L-lactide) micelles

Energy Technology Data Exchange (ETDEWEB)

Gao, J M [College of Material Science and Engineering, Southwest Jiaotong University, Chengdu 610031 (China); Ming, J [Department of Medicament, The Second People' s Hospital of Sichuan, Chengdu 610041 (China); He, B; Gu, Z W; Zhang, X D [National Engineering Research Center for Biomaterials, Sichuan University, Chengdu 610064 (China)], E-mail: zwgu@scu.edu.cn

2008-03-01

9-nitro-20(S)-camptothecin (9-NC) is a potent topoisomerase-I inhibitor, and it was applied for clinical trials in cancer treatment. However, the applications of 9-NC were limited by its poor solubility and instability. In order to overcome these disadvantages, 9-NC was encapsulated in amphiphilic copolymer micelles composed of methoxy poly(ethylene glycol)-b-poly(D,L-lactide) (mPEG-PDLLA, PELA). Three diblock copolymers with different PDLLA chain lengths were synthesized. The critical micelle concentration was varied from 10{sup -4} g L{sup -1} to 10{sup -2} g L{sup -1}. The 9-NC loaded micelles were nanospheres with diameters ranging from 30 nm to 60 nm. The relationship between the composition of copolymers and the drug loading content was discussed. The encapsulation of micelles improved the solubility of 9-NC greatly. The solubility of 9-NC in micelle M1 was about 250 times higher than that of 9-NC in a phosphate buffer solution (PBS). The stability of 9-NC in micelles was also promoted. After being incubated in PBS for 160 min, 80% of 9-NC in micelles existed as an active lactone form, while 85% of 9-NC in PBS were transferred to an inactive carboxylate salt form. The release experiments were carried out in PBS and the results showed that the release processes were controllable.