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Showing 13 to 24 of 449 entries
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Extended Zinc AMBER Force Field (EZAFF).

Journal of chemical theory and computation

Yu Z, Li P, Merz KM.
PMID: 29149560
J Chem Theory Comput. 2018 Jan 09;14(1):242-254. doi: 10.1021/acs.jctc.7b00773. Epub 2017 Dec 07.

An empirical approach based on the previously developed zinc AMBER force field (ZAFF) is proposed for the determination of the parameters for bonds and angles involving zinc. We call it the extended ZAFF (EZAFF) model because the original ZAFF...

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Yu Z, Li P, Merz KM. Extended Zinc AMBER Force Field (EZAFF). J Chem Theory Comput. 2017;14(1):242-254doi: 10.1021/acs.jctc.7b00773.
Yu, Z., Li, P., & Merz, K. M. (2018). Extended Zinc AMBER Force Field (EZAFF). Journal of chemical theory and computation, 14(1), 242-254. https://doi.org/10.1021/acs.jctc.7b00773
Yu, Zhuoqin, et al. "Extended Zinc AMBER Force Field (EZAFF)." Journal of chemical theory and computation vol. 14,1 (2018): 242-254. doi: https://doi.org/10.1021/acs.jctc.7b00773
Yu Z, Li P, Merz KM. Extended Zinc AMBER Force Field (EZAFF). J Chem Theory Comput. 2018 Jan 09;14(1):242-254. doi: 10.1021/acs.jctc.7b00773. Epub 2017 Dec 07. PMID: 29149560.
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Mechanically Induced Multicolor Change of Luminescent Materials.

Chemphyschem : a European journal of chemical physics and physical chemistry

Ma Z, Wang Z, Teng M, Xu Z, Jia X.
PMID: 25965783
Chemphyschem. 2015 Jun 22;16(9):1811-28. doi: 10.1002/cphc.201500181. Epub 2015 May 12.

Mechanofluorochromic or piezochromic fluorescence chemistry involves the switching and tuning of the luminescent properties of solid-state materials induced by exogenous forces, such as grinding, shearing, compression, tension, and so forth. Up until now, most reported mechanochromic systems, including liquid...

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Ma Z, Wang Z, Teng M, et al. Mechanically Induced Multicolor Change of Luminescent Materials. Chemphyschem. 2015;16(9):1811-28doi: 10.1002/cphc.201500181.
Ma, Z., Wang, Z., Teng, M., Xu, Z., & Jia, X. (2015). Mechanically Induced Multicolor Change of Luminescent Materials. Chemphyschem : a European journal of chemical physics and physical chemistry, 16(9), 1811-28. https://doi.org/10.1002/cphc.201500181
Ma, Zhiyong, et al. "Mechanically Induced Multicolor Change of Luminescent Materials." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 16,9 (2015): 1811-28. doi: https://doi.org/10.1002/cphc.201500181
Ma Z, Wang Z, Teng M, Xu Z, Jia X. Mechanically Induced Multicolor Change of Luminescent Materials. Chemphyschem. 2015 Jun 22;16(9):1811-28. doi: 10.1002/cphc.201500181. Epub 2015 May 12. PMID: 25965783.
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Detection of Metal and Organometallic Compounds with Bioluminescent Bacterial Bioassays.

Advances in biochemical engineering/biotechnology

Durand MJ, Hua A, Jouanneau S, Cregut M, Thouand G.
PMID: 26475470
Adv Biochem Eng Biotechnol. 2015 Oct 17; doi: 10.1007/10_2015_332. Epub 2015 Oct 17.

Chemical detection of metal and organometallic compounds is very specific and sensitive, but these techniques are time consuming and expensive. Although these techniques provide information about the concentrations of compounds, they fail to inform us about the toxicity of...

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Durand MJ, Hua A, Jouanneau S, et al. Detection of Metal and Organometallic Compounds with Bioluminescent Bacterial Bioassays. Adv Biochem Eng Biotechnol. 2015;doi: 10.1007/10_2015_332.
Durand, M. J., Hua, A., Jouanneau, S., Cregut, M., & Thouand, G. (2015). Detection of Metal and Organometallic Compounds with Bioluminescent Bacterial Bioassays. Advances in biochemical engineering/biotechnology, . https://doi.org/10.1007/10_2015_332
Durand, M J, et al. "Detection of Metal and Organometallic Compounds with Bioluminescent Bacterial Bioassays." Advances in biochemical engineering/biotechnology vol. (2015). doi: https://doi.org/10.1007/10_2015_332
Durand MJ, Hua A, Jouanneau S, Cregut M, Thouand G. Detection of Metal and Organometallic Compounds with Bioluminescent Bacterial Bioassays. Adv Biochem Eng Biotechnol. 2015 Oct 17; doi: 10.1007/10_2015_332. Epub 2015 Oct 17. PMID: 26475470.
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Electrospray ionization mass spectrometry for analysis of low-molecular-weight anticancer drugs and their analogues.

Journal of the American Society for Mass Spectrometry

Poon GK, Bisset GM, Mistry P.
PMID: 24227645
J Am Soc Mass Spectrom. 1993 Jul;4(7):588-95. doi: 10.1016/1044-0305(93)85020-X.

In this study, several anticancer drugs and their analogues consisting of organic and organometallic compounds were analyzed by electrospray ionization mass spectrometry (ESI/MS) using a quadrupole mass spectrometer. Protonated molecular ions [M+H](+) were observed for all of the compounds...

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Poon GK, Bisset GM, Mistry P. Electrospray ionization mass spectrometry for analysis of low-molecular-weight anticancer drugs and their analogues. J Am Soc Mass Spectrom. 1993;4(7):588-95doi: 10.1016/1044-0305(93)85020-X.
Poon, G. K., Bisset, G. M., & Mistry, P. (1993). Electrospray ionization mass spectrometry for analysis of low-molecular-weight anticancer drugs and their analogues. Journal of the American Society for Mass Spectrometry, 4(7), 588-95. https://doi.org/10.1016/1044-0305(93)85020-X
Poon, G K, et al. "Electrospray ionization mass spectrometry for analysis of low-molecular-weight anticancer drugs and their analogues." Journal of the American Society for Mass Spectrometry vol. 4,7 (1993): 588-95. doi: https://doi.org/10.1016/1044-0305(93)85020-X
Poon GK, Bisset GM, Mistry P. Electrospray ionization mass spectrometry for analysis of low-molecular-weight anticancer drugs and their analogues. J Am Soc Mass Spectrom. 1993 Jul;4(7):588-95. doi: 10.1016/1044-0305(93)85020-X. PMID: 24227645.
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Dynamic Coupling at the Ångström Scale.

Angewandte Chemie (International ed. in English)

Dey KK, Pong FY, Breffke J, Pavlick R, Hatzakis E, Pacheco C, Sen A.
PMID: 26636667
Angew Chem Int Ed Engl. 2016 Jan 18;55(3):1113-7. doi: 10.1002/anie.201509237. Epub 2015 Dec 04.

While momentum transfer from active particles to their immediate surroundings has been studied for both synthetic and biological micron-scale systems, a similar phenomenon was presumed unlikely to exist at smaller length scales due to the dominance of viscosity in...

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Dey KK, Pong FY, Breffke J, et al. Dynamic Coupling at the Ångström Scale. Angew Chem Int Ed Engl. 2015;55(3):1113-7doi: 10.1002/anie.201509237.
Dey, K. K., Pong, F. Y., Breffke, J., Pavlick, R., Hatzakis, E., Pacheco, C., & Sen, A. (2016). Dynamic Coupling at the Ångström Scale. Angewandte Chemie (International ed. in English), 55(3), 1113-7. https://doi.org/10.1002/anie.201509237
Dey, Krishna Kanti, et al. "Dynamic Coupling at the Ångström Scale." Angewandte Chemie (International ed. in English) vol. 55,3 (2016): 1113-7. doi: https://doi.org/10.1002/anie.201509237
Dey KK, Pong FY, Breffke J, Pavlick R, Hatzakis E, Pacheco C, Sen A. Dynamic Coupling at the Ångström Scale. Angew Chem Int Ed Engl. 2016 Jan 18;55(3):1113-7. doi: 10.1002/anie.201509237. Epub 2015 Dec 04. PMID: 26636667.
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Chiral Kagome Lattices from On-Surface Synthesized Molecules.

Chemphyschem : a European journal of chemical physics and physical chemistry

Wang T, Fan Q, Feng L, Tao Z, Huang J, Ju H, Xu Q, Hu S, Zhu J.
PMID: 28910515
Chemphyschem. 2017 Dec 06;18(23):3329-3333. doi: 10.1002/cphc.201700769. Epub 2017 Oct 09.

Kagome lattices have attracted much attention owing to their potential applications in spin-frustrated magnetism and host-guest chemistry. Examples toward the fabrication of 2D Kagome lattices reported previously have in common that the precursor molecules were typically deposited on the...

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Wang T, Fan Q, Feng L, et al. Chiral Kagome Lattices from On-Surface Synthesized Molecules. Chemphyschem. 2017;18(23):3329-3333doi: 10.1002/cphc.201700769.
Wang, T., Fan, Q., Feng, L., Tao, Z., Huang, J., Ju, H., Xu, Q., Hu, S., & Zhu, J. (2017). Chiral Kagome Lattices from On-Surface Synthesized Molecules. Chemphyschem : a European journal of chemical physics and physical chemistry, 18(23), 3329-3333. https://doi.org/10.1002/cphc.201700769
Wang, Tao, et al. "Chiral Kagome Lattices from On-Surface Synthesized Molecules." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 18,23 (2017): 3329-3333. doi: https://doi.org/10.1002/cphc.201700769
Wang T, Fan Q, Feng L, Tao Z, Huang J, Ju H, Xu Q, Hu S, Zhu J. Chiral Kagome Lattices from On-Surface Synthesized Molecules. Chemphyschem. 2017 Dec 06;18(23):3329-3333. doi: 10.1002/cphc.201700769. Epub 2017 Oct 09. PMID: 28910515.
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Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex.

Angewandte Chemie (International ed. in English)

Rekhroukh F, Estévez L, Bijani C, Miqueu K, Amgoune A, Bourissou D.
PMID: 26833571
Angew Chem Int Ed Engl. 2016 Mar 01;55(10):3414-8. doi: 10.1002/anie.201511111. Epub 2016 Feb 02.

The first agostic interaction in a gold complex is described. The presence of a bonding C-H⋅⋅⋅Au interaction in a cationic "tricoordinate" gold(III) complex was suggested by DFT calculations and was subsequently confirmed by NMR spectroscopy at low temperature. The...

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Rekhroukh F, Estévez L, Bijani C, et al. Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex. Angew Chem Int Ed Engl. 2016;55(10):3414-8doi: 10.1002/anie.201511111.
Rekhroukh, F., Estévez, L., Bijani, C., Miqueu, K., Amgoune, A., & Bourissou, D. (2016). Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex. Angewandte Chemie (International ed. in English), 55(10), 3414-8. https://doi.org/10.1002/anie.201511111
Rekhroukh, Feriel, et al. "Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex." Angewandte Chemie (International ed. in English) vol. 55,10 (2016): 3414-8. doi: https://doi.org/10.1002/anie.201511111
Rekhroukh F, Estévez L, Bijani C, Miqueu K, Amgoune A, Bourissou D. Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex. Angew Chem Int Ed Engl. 2016 Mar 01;55(10):3414-8. doi: 10.1002/anie.201511111. Epub 2016 Feb 02. PMID: 26833571.
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Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.

Inorganic chemistry

Zatsikha YV, Maligaspe E, Purchel AA, Didukh NO, Wang Y, Kovtun YP, Blank DA, Nemykin VN.
PMID: 26220063
Inorg Chem. 2015 Aug 17;54(16):7915-28. doi: 10.1021/acs.inorgchem.5b00992. Epub 2015 Jul 29.

Stepwise modification of the methyl groups at the α positions of BODIPY 1 was used for preparation of a series of mono- (2, 4, and 6) and diferrocene (3) substituted donor-acceptor dyads in which the organometallic substituents are fully...

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Zatsikha YV, Maligaspe E, Purchel AA, et al. Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs. Inorg Chem. 2015;54(16):7915-28doi: 10.1021/acs.inorgchem.5b00992.
Zatsikha, Y. V., Maligaspe, E., Purchel, A. A., Didukh, N. O., Wang, Y., Kovtun, Y. P., Blank, D. A., & Nemykin, V. N. (2015). Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs. Inorganic chemistry, 54(16), 7915-28. https://doi.org/10.1021/acs.inorgchem.5b00992
Zatsikha, Yuriy V, et al. "Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs." Inorganic chemistry vol. 54,16 (2015): 7915-28. doi: https://doi.org/10.1021/acs.inorgchem.5b00992
Zatsikha YV, Maligaspe E, Purchel AA, Didukh NO, Wang Y, Kovtun YP, Blank DA, Nemykin VN. Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs. Inorg Chem. 2015 Aug 17;54(16):7915-28. doi: 10.1021/acs.inorgchem.5b00992. Epub 2015 Jul 29. PMID: 26220063.
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New in situ trapping metalations of functionalized arenes and heteroarenes with TMPLi in the presence of ZnCl2 and other metal salts.

Angewandte Chemie (International ed. in English)

Frischmuth A, Fernández M, Barl NM, Achrainer F, Zipse H, Berionni G, Mayr H, Karaghiosoff K, Knochel P.
PMID: 24923789
Angew Chem Int Ed Engl. 2014 Jul 21;53(30):7928-32. doi: 10.1002/anie.201403688. Epub 2014 Jun 12.

The addition of TMPLi to a mixture of an aromatic or heteroaromatic substrate with a metal salt such as MgCl2, ZnCl2, or CuCN at -78 °C first leads to lithiation of the arene followed by transmetalation with the metal...

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Frischmuth A, Fernández M, Barl NM, et al. New in situ trapping metalations of functionalized arenes and heteroarenes with TMPLi in the presence of ZnCl2 and other metal salts. Angew Chem Int Ed Engl. 2014;53(30):7928-32doi: 10.1002/anie.201403688.
Frischmuth, A., Fernández, M., Barl, N. M., Achrainer, F., Zipse, H., Berionni, G., Mayr, H., Karaghiosoff, K., & Knochel, P. (2014). New in situ trapping metalations of functionalized arenes and heteroarenes with TMPLi in the presence of ZnCl2 and other metal salts. Angewandte Chemie (International ed. in English), 53(30), 7928-32. https://doi.org/10.1002/anie.201403688
Frischmuth, Annette, et al. "New in situ trapping metalations of functionalized arenes and heteroarenes with TMPLi in the presence of ZnCl2 and other metal salts." Angewandte Chemie (International ed. in English) vol. 53,30 (2014): 7928-32. doi: https://doi.org/10.1002/anie.201403688
Frischmuth A, Fernández M, Barl NM, Achrainer F, Zipse H, Berionni G, Mayr H, Karaghiosoff K, Knochel P. New in situ trapping metalations of functionalized arenes and heteroarenes with TMPLi in the presence of ZnCl2 and other metal salts. Angew Chem Int Ed Engl. 2014 Jul 21;53(30):7928-32. doi: 10.1002/anie.201403688. Epub 2014 Jun 12. PMID: 24923789.
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Mechanistic studies of transition metal-mediated C-C bond activation.

Topics in current chemistry

Jones WD.
PMID: 24241238
Top Curr Chem. 2014;346:1-31. doi: 10.1007/128_2013_491.

Organometallic compounds have been found to be of use in cleaving C-C bonds, as strong metal-carbon bonds can be formed to replace the bond that is broken. Studies of the mechanism of C-C cleavage can provide insight into how...

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Jones WD. Mechanistic studies of transition metal-mediated C-C bond activation. Top Curr Chem. 2014;346:1-31doi: 10.1007/128_2013_491.
Jones, W. D. (2014). Mechanistic studies of transition metal-mediated C-C bond activation. Topics in current chemistry, 3461-31. https://doi.org/10.1007/128_2013_491
Jones, William D. "Mechanistic studies of transition metal-mediated C-C bond activation." Topics in current chemistry vol. 346 (2014): 1-31. doi: https://doi.org/10.1007/128_2013_491
Jones WD. Mechanistic studies of transition metal-mediated C-C bond activation. Top Curr Chem. 2014;346:1-31. doi: 10.1007/128_2013_491. PMID: 24241238.
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Gas generation and preconcentration coupled to gas phase molecular absorption spectrometry: a powerful tool for the simultaneous determination of analytes forming volatile compounds.

Analytical and bioanalytical chemistry

Galban J, Cabredo S, Gallarta F, Sanz I, Perez M, Sanz J.
PMID: 15045428
Anal Bioanal Chem. 1996 Jun;355(3):406-8. doi: 10.1007/s0021663550406.

Different methods for a simultaneous determination of several analytes forming volatile compounds at room temperature are described. The main steps of these methods are: continuous generation, collection in a cryogenic trap, revolatilization, measurement of the volatile compounds by Gas...

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Galban J, Cabredo S, Gallarta F, et al. Gas generation and preconcentration coupled to gas phase molecular absorption spectrometry: a powerful tool for the simultaneous determination of analytes forming volatile compounds. Anal Bioanal Chem. 1996;355(3):406-8doi: 10.1007/s0021663550406.
Galban, J., Cabredo, S., Gallarta, F., Sanz, I., Perez, M., & Sanz, J. (1996). Gas generation and preconcentration coupled to gas phase molecular absorption spectrometry: a powerful tool for the simultaneous determination of analytes forming volatile compounds. Analytical and bioanalytical chemistry, 355(3), 406-8. https://doi.org/10.1007/s0021663550406
Galban, J, et al. "Gas generation and preconcentration coupled to gas phase molecular absorption spectrometry: a powerful tool for the simultaneous determination of analytes forming volatile compounds." Analytical and bioanalytical chemistry vol. 355,3 (1996): 406-8. doi: https://doi.org/10.1007/s0021663550406
Galban J, Cabredo S, Gallarta F, Sanz I, Perez M, Sanz J. Gas generation and preconcentration coupled to gas phase molecular absorption spectrometry: a powerful tool for the simultaneous determination of analytes forming volatile compounds. Anal Bioanal Chem. 1996 Jun;355(3):406-8. doi: 10.1007/s0021663550406. PMID: 15045428.
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Addition of organometallic compounds to tin-containing cyclic ketones. Remote stereocontrol induced by the stannyl group.

Journal of the American Chemical Society

Barbero A, Pulido FJ, Rincón JA.
PMID: 14505426
J Am Chem Soc. 2003 Oct 01;125(39):12049-56. doi: 10.1021/ja036340c.

The addition of organometallic reagents to cyclic ketones bearing stannyl groups at an appropriate distance to the carbonyl group occurs with a high level of stereocontrol, giving alcohols resulting from attack of the nucleophile syn to the tin center....

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Barbero A, Pulido FJ, Rincón JA. Addition of organometallic compounds to tin-containing cyclic ketones. Remote stereocontrol induced by the stannyl group. J Am Chem Soc. 2003;125(39):12049-56doi: 10.1021/ja036340c.
Barbero, A., Pulido, F. J., & Rincón, J. A. (2003). Addition of organometallic compounds to tin-containing cyclic ketones. Remote stereocontrol induced by the stannyl group. Journal of the American Chemical Society, 125(39), 12049-56. https://doi.org/10.1021/ja036340c
Barbero, Asunción, et al. "Addition of organometallic compounds to tin-containing cyclic ketones. Remote stereocontrol induced by the stannyl group." Journal of the American Chemical Society vol. 125,39 (2003): 12049-56. doi: https://doi.org/10.1021/ja036340c
Barbero A, Pulido FJ, Rincón JA. Addition of organometallic compounds to tin-containing cyclic ketones. Remote stereocontrol induced by the stannyl group. J Am Chem Soc. 2003 Oct 01;125(39):12049-56. doi: 10.1021/ja036340c. PMID: 14505426.
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Showing 13 to 24 of 449 entries