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Building and testing correlations for the estimation of one‐electron reduction potentials of a diverse set of organic molecules

Louis Stokes Alliances for Minority Participation AND Program Evaluation

Gillmore JG, Méndez‐Hernández DD.
GSID: HNBTKW8kV1MJ
DD Méndez‐Hernández, JG Gillmore… - Journal of Physical …, 2015 - Wiley Online Library

We describe and evaluate a method for computationally predicting reduction potentials of a diverse group of organic molecules by linearly correlating calculated lowest unoccupied molecular orbital energies with ground state reduction potentials measured in acetonitrile. The approach is shown...

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Méndez‐Hernández, D. D., Gillmore, J. G., Montano, L. A., Gust, D., Moore, T. A., Moore, A. L., & Mujica, V. (2015). Building and testing correlations for the estimation of one‐electron reduction potentials of a diverse set of organic molecules. Journal of Physical Organic Chemistry, 28(5), 320-328.
Méndez‐Hernández, Dalvin D., et al. "Building and testing correlations for the estimation of one‐electron reduction potentials of a diverse set of organic molecules." Journal of Physical Organic Chemistry 28.5 (2015): 320-328.
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Synthesis, structural characterization, aromatic characteristics, and metalation of neo-confused porphyrins, a newly discovered class of porphyrin isomers.

The Journal of organic chemistry

Li R, Lammer AD, Ferrence GM, Lash TD.
PMID: 24697282
J Org Chem. 2014 May 02;79(9):4078-93. doi: 10.1021/jo500580e. Epub 2014 Apr 18.

Neo-confused porphyrins represent a unique family of porphyrin isomers that retain overall aromatic characteristics by virtue of a 17-atom 18π electron delocalization pathway. These porphyrin analogues have a pyrrolic subunit linked in a 1,3-fashion so that a nitrogen atom...

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Li R, Lammer AD, Ferrence GM, et al. Synthesis, structural characterization, aromatic characteristics, and metalation of neo-confused porphyrins, a newly discovered class of porphyrin isomers. J Org Chem. 2014;79(9):4078-93doi: 10.1021/jo500580e.
Li, R., Lammer, A. D., Ferrence, G. M., & Lash, T. D. (2014). Synthesis, structural characterization, aromatic characteristics, and metalation of neo-confused porphyrins, a newly discovered class of porphyrin isomers. The Journal of organic chemistry, 79(9), 4078-93. https://doi.org/10.1021/jo500580e
Li, Ruoshi, et al. "Synthesis, structural characterization, aromatic characteristics, and metalation of neo-confused porphyrins, a newly discovered class of porphyrin isomers." The Journal of organic chemistry vol. 79,9 (2014): 4078-93. doi: https://doi.org/10.1021/jo500580e
Li R, Lammer AD, Ferrence GM, Lash TD. Synthesis, structural characterization, aromatic characteristics, and metalation of neo-confused porphyrins, a newly discovered class of porphyrin isomers. J Org Chem. 2014 May 02;79(9):4078-93. doi: 10.1021/jo500580e. Epub 2014 Apr 18. PMID: 24697282.
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Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system.

Journal of the American Chemical Society

Adriaenssens L, Gil-Ramírez G, Frontera A, Quiñonero D, Escudero-Adán EC, Ballester P.
PMID: 24494711
J Am Chem Soc. 2014 Feb 26;136(8):3208-18. doi: 10.1021/ja412098v. Epub 2014 Feb 17.

Herein, we report our latest experimental investigations of halide-π interactions in solution. We base this research on the thermodynamic characterization of a series of 1:1 complexes formed between halides (Cl(-), Br(-), and I(-)) and several α,α-isomers of "two-wall" calix[4]pyrrole...

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Adriaenssens L, Gil-Ramírez G, Frontera A, et al. Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system. J Am Chem Soc. 2014;136(8):3208-18doi: 10.1021/ja412098v.
Adriaenssens, L., Gil-Ramírez, G., Frontera, A., Quiñonero, D., Escudero-Adán, E. C., & Ballester, P. (2014). Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system. Journal of the American Chemical Society, 136(8), 3208-18. https://doi.org/10.1021/ja412098v
Adriaenssens, Louis, et al. "Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system." Journal of the American Chemical Society vol. 136,8 (2014): 3208-18. doi: https://doi.org/10.1021/ja412098v
Adriaenssens L, Gil-Ramírez G, Frontera A, Quiñonero D, Escudero-Adán EC, Ballester P. Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system. J Am Chem Soc. 2014 Feb 26;136(8):3208-18. doi: 10.1021/ja412098v. Epub 2014 Feb 17. PMID: 24494711.
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Lanthanide-mediated supramolecular cages and host-guest interactions.

Inorganic chemistry

El Aroussi B, Guénée L, Pal P, Hamacek J.
PMID: 21797240
Inorg Chem. 2011 Sep 05;50(17):8588-97. doi: 10.1021/ic201156q. Epub 2011 Jul 28.

The structure and thermodynamic properties of lanthanide complexes with a new tripodal ligand L2 have been elucidated using different physicochemical methods. At stoichiometric ratios, the tetrahedral three-dimensional complexes with lanthanide cations are formed in acetonitrile with good stabilities. Despite...

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El Aroussi B, Guénée L, Pal P, et al. Lanthanide-mediated supramolecular cages and host-guest interactions. Inorg Chem. 2011;50(17):8588-97doi: 10.1021/ic201156q.
El Aroussi, B., Guénée, L., Pal, P., & Hamacek, J. (2011). Lanthanide-mediated supramolecular cages and host-guest interactions. Inorganic chemistry, 50(17), 8588-97. https://doi.org/10.1021/ic201156q
El Aroussi, Badr, et al. "Lanthanide-mediated supramolecular cages and host-guest interactions." Inorganic chemistry vol. 50,17 (2011): 8588-97. doi: https://doi.org/10.1021/ic201156q
El Aroussi B, Guénée L, Pal P, Hamacek J. Lanthanide-mediated supramolecular cages and host-guest interactions. Inorg Chem. 2011 Sep 05;50(17):8588-97. doi: 10.1021/ic201156q. Epub 2011 Jul 28. PMID: 21797240.
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A soluble and fluorescent new type thienylpyrrole based conjugated polymer: optical, electrical and electrochemical properties.

Physical chemistry chemical physics : PCCP

Soganci T, Soyleyici HC, Ak M.
PMID: 27171850
Phys Chem Chem Phys. 2016 Jun 07;18(21):14401-7. doi: 10.1039/c6cp02214f. Epub 2016 May 12.

Recently, increased attention has been focused on the synthesis of soluble and processable conducting polymers due to interest in their potential application. For this purpose a new type electroactive 2,5-di(2-thienyl)pyrrole derivative was synthesized and its novel solution-processable and fluorescent...

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Soganci T, Soyleyici HC, Ak M. A soluble and fluorescent new type thienylpyrrole based conjugated polymer: optical, electrical and electrochemical properties. Phys Chem Chem Phys. 2016;18(21):14401-7doi: 10.1039/c6cp02214f.
Soganci, T., Soyleyici, H. C., & Ak, M. (2016). A soluble and fluorescent new type thienylpyrrole based conjugated polymer: optical, electrical and electrochemical properties. Physical chemistry chemical physics : PCCP, 18(21), 14401-7. https://doi.org/10.1039/c6cp02214f
Soganci, Tugba, et al. "A soluble and fluorescent new type thienylpyrrole based conjugated polymer: optical, electrical and electrochemical properties." Physical chemistry chemical physics : PCCP vol. 18,21 (2016): 14401-7. doi: https://doi.org/10.1039/c6cp02214f
Soganci T, Soyleyici HC, Ak M. A soluble and fluorescent new type thienylpyrrole based conjugated polymer: optical, electrical and electrochemical properties. Phys Chem Chem Phys. 2016 Jun 07;18(21):14401-7. doi: 10.1039/c6cp02214f. Epub 2016 May 12. PMID: 27171850.
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Electrospray ionization mass spectrometry of non-covalent complexes formed between N-alkylimidazolium-containing zwitterionic sulfonates and protonated bases.

European journal of mass spectrometry (Chichester, England)

Podjava A, Kistkin S, Ausekle E, Priede E, Mekss P, Zicmanis A.
PMID: 25905871
Eur J Mass Spectrom (Chichester). 2014;20(6):467-75. doi: 10.1255/ejms.1303.

This paper describes non-covalent complexes between zwitterionic 3-(1-alkyl-3N-imidazolio)- propane-1-sulfonates and different amines. Electrospray ionization (ESI) mass spectrometry and collision- induced dissociation were used to measure the stability of such complexes in solution and in the gas phase. Generally, zwitterionic...

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Podjava A, Kistkin S, Ausekle E, et al. Electrospray ionization mass spectrometry of non-covalent complexes formed between N-alkylimidazolium-containing zwitterionic sulfonates and protonated bases. Eur J Mass Spectrom (Chichester). 2014;20(6):467-75doi: 10.1255/ejms.1303.
Podjava, A., Kistkin, S., Ausekle, E., Priede, E., Mekss, P., & Zicmanis, A. (2014). Electrospray ionization mass spectrometry of non-covalent complexes formed between N-alkylimidazolium-containing zwitterionic sulfonates and protonated bases. European journal of mass spectrometry (Chichester, England), 20(6), 467-75. https://doi.org/10.1255/ejms.1303
Podjava, Anton, et al. "Electrospray ionization mass spectrometry of non-covalent complexes formed between N-alkylimidazolium-containing zwitterionic sulfonates and protonated bases." European journal of mass spectrometry (Chichester, England) vol. 20,6 (2014): 467-75. doi: https://doi.org/10.1255/ejms.1303
Podjava A, Kistkin S, Ausekle E, Priede E, Mekss P, Zicmanis A. Electrospray ionization mass spectrometry of non-covalent complexes formed between N-alkylimidazolium-containing zwitterionic sulfonates and protonated bases. Eur J Mass Spectrom (Chichester). 2014;20(6):467-75. doi: 10.1255/ejms.1303. PMID: 25905871.
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Electrocatalytic Dihydrogen Production by an Earth-Abundant Manganese Bipyridine Catalyst.

Inorganic chemistry

Sampson MD, Kubiak CP.
PMID: 26125125
Inorg Chem. 2015 Jul 20;54(14):6674-6. doi: 10.1021/acs.inorgchem.5b01080. Epub 2015 Jun 30.

Earth-abundant manganese bipyridine complexes have been extensively studied as homogeneous electrocatalysts for proton-coupled CO2 reduction. To date, these manganese complexes have not been examined as catalysts for the reduction of other small molecules. We report electrocatalytic H2 production by...

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Sampson MD, Kubiak CP. Electrocatalytic Dihydrogen Production by an Earth-Abundant Manganese Bipyridine Catalyst. Inorg Chem. 2015;54(14):6674-6doi: 10.1021/acs.inorgchem.5b01080.
Sampson, M. D., & Kubiak, C. P. (2015). Electrocatalytic Dihydrogen Production by an Earth-Abundant Manganese Bipyridine Catalyst. Inorganic chemistry, 54(14), 6674-6. https://doi.org/10.1021/acs.inorgchem.5b01080
Sampson, Matthew D, and Kubiak, Clifford P. "Electrocatalytic Dihydrogen Production by an Earth-Abundant Manganese Bipyridine Catalyst." Inorganic chemistry vol. 54,14 (2015): 6674-6. doi: https://doi.org/10.1021/acs.inorgchem.5b01080
Sampson MD, Kubiak CP. Electrocatalytic Dihydrogen Production by an Earth-Abundant Manganese Bipyridine Catalyst. Inorg Chem. 2015 Jul 20;54(14):6674-6. doi: 10.1021/acs.inorgchem.5b01080. Epub 2015 Jun 30. PMID: 26125125.
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Quantitative determination of salvinorin A, a natural hallucinogen with abuse liability, in Internet-available Salvia divinorum and endemic species of Salvia in Taiwan.

Journal of food and drug analysis

Lin PX, Li JH, Chen SH, Chang HC, McKetin R.
PMID: 28911428
J Food Drug Anal. 2014 Sep;22(3):370-378. doi: 10.1016/j.jfda.2014.01.017. Epub 2014 Feb 16.

In recent years, recreational use of Salvia divinorum (Lamiaceae), a herbal drug that contains a hallucinogenic ingredient, salvinorin A, has become a new phenomenon among young drug users. In Taiwan, as in many other countries, dry leaves of S....

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Lin PX, Li JH, Chen SH, et al. Quantitative determination of salvinorin A, a natural hallucinogen with abuse liability, in Internet-available Salvia divinorum and endemic species of Salvia in Taiwan. J Food Drug Anal. 2014;22(3):370-378doi: 10.1016/j.jfda.2014.01.017.
Lin, P. X., Li, J. H., Chen, S. H., Chang, H. C., & McKetin, R. (2014). Quantitative determination of salvinorin A, a natural hallucinogen with abuse liability, in Internet-available Salvia divinorum and endemic species of Salvia in Taiwan. Journal of food and drug analysis, 22(3), 370-378. https://doi.org/10.1016/j.jfda.2014.01.017
Lin, Po-Xiang, et al. "Quantitative determination of salvinorin A, a natural hallucinogen with abuse liability, in Internet-available Salvia divinorum and endemic species of Salvia in Taiwan." Journal of food and drug analysis vol. 22,3 (2014): 370-378. doi: https://doi.org/10.1016/j.jfda.2014.01.017
Lin PX, Li JH, Chen SH, Chang HC, McKetin R. Quantitative determination of salvinorin A, a natural hallucinogen with abuse liability, in Internet-available Salvia divinorum and endemic species of Salvia in Taiwan. J Food Drug Anal. 2014 Sep;22(3):370-378. doi: 10.1016/j.jfda.2014.01.017. Epub 2014 Feb 16. PMID: 28911428.
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Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.

Inorganic chemistry

Plikhta A, Pöthig A, Herdtweck E, Rieger B.
PMID: 26390389
Inorg Chem. 2015 Oct 05;54(19):9517-28. doi: 10.1021/acs.inorgchem.5b01428. Epub 2015 Sep 21.

In this article, we report the synthesis of a tridentate carbene-centered bisphosphine ligand precursor and its complexes. The developed four-step synthetic strategy of a new PC(BIm)P pincer ligand represents the derivatization of benzimidazole in the first and third positions...

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Plikhta A, Pöthig A, Herdtweck E, et al. Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers. Inorg Chem. 2015;54(19):9517-28doi: 10.1021/acs.inorgchem.5b01428.
Plikhta, A., Pöthig, A., Herdtweck, E., & Rieger, B. (2015). Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers. Inorganic chemistry, 54(19), 9517-28. https://doi.org/10.1021/acs.inorgchem.5b01428
Plikhta, Andriy, et al. "Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers." Inorganic chemistry vol. 54,19 (2015): 9517-28. doi: https://doi.org/10.1021/acs.inorgchem.5b01428
Plikhta A, Pöthig A, Herdtweck E, Rieger B. Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers. Inorg Chem. 2015 Oct 05;54(19):9517-28. doi: 10.1021/acs.inorgchem.5b01428. Epub 2015 Sep 21. PMID: 26390389.
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Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.

Dalton transactions (Cambridge, England : 2003)

Kohler L, Hayes D, Hong J, Carter TJ, Shelby ML, Fransted KA, Chen LX, Mulfort KL.
PMID: 26924711
Dalton Trans. 2016 Jun 14;45(24):9871-83. doi: 10.1039/c6dt00324a.

Five heteroleptic Cu(i)bis(phenanthroline) chromophores with distinct variation in the steric bulk at the 2,9-phenanthroline position were synthesized using the HETPHEN method, and their ground and excited state properties are described. Analysis of the crystal structures reveals a significant distortion...

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Kohler L, Hayes D, Hong J, et al. Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores. Dalton Trans. 2016;45(24):9871-83doi: 10.1039/c6dt00324a.
Kohler, L., Hayes, D., Hong, J., Carter, T. J., Shelby, M. L., Fransted, K. A., Chen, L. X., & Mulfort, K. L. (2016). Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores. Dalton transactions (Cambridge, England : 2003), 45(24), 9871-83. https://doi.org/10.1039/c6dt00324a
Kohler, Lars, et al. "Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores." Dalton transactions (Cambridge, England : 2003) vol. 45,24 (2016): 9871-83. doi: https://doi.org/10.1039/c6dt00324a
Kohler L, Hayes D, Hong J, Carter TJ, Shelby ML, Fransted KA, Chen LX, Mulfort KL. Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores. Dalton Trans. 2016 Jun 14;45(24):9871-83. doi: 10.1039/c6dt00324a. PMID: 26924711.
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New Blatter-type radicals from a bench-stable carbene.

Nature communications

Grant JA, Lu Z, Tucker DE, Hockin BM, Yufit DS, Fox MA, Kataky R, Chechik V, O'Donoghue AC.
PMID: 28504260
Nat Commun. 2017 May 15;8:15088. doi: 10.1038/ncomms15088.

Stable benzotriazinyl radicals (Blatter's radicals) recently attracted considerable interest as building blocks for functional materials. The existing strategies to derivatize Blatter's radicals are limited, however, and synthetic routes are complex. Here, we report that an inexpensive, commercially available, analytical...

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Grant JA, Lu Z, Tucker DE, et al. New Blatter-type radicals from a bench-stable carbene. Nat Commun. 2017;8:15088doi: 10.1038/ncomms15088.
Grant, J. A., Lu, Z., Tucker, D. E., Hockin, B. M., Yufit, D. S., Fox, M. A., Kataky, R., Chechik, V., & O'Donoghue, A. C. (2017). New Blatter-type radicals from a bench-stable carbene. Nature communications, 815088. https://doi.org/10.1038/ncomms15088
Grant, Jacob A, et al. "New Blatter-type radicals from a bench-stable carbene." Nature communications vol. 8 (2017): 15088. doi: https://doi.org/10.1038/ncomms15088
Grant JA, Lu Z, Tucker DE, Hockin BM, Yufit DS, Fox MA, Kataky R, Chechik V, O'Donoghue AC. New Blatter-type radicals from a bench-stable carbene. Nat Commun. 2017 May 15;8:15088. doi: 10.1038/ncomms15088. PMID: 28504260; PMCID: PMC5440670.
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γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.

Organic letters

Zhu N, Wang T, Ge L, Li Y, Zhang X, Bao H.
PMID: 28862865
Org Lett. 2017 Sep 15;19(18):4718-4721. doi: 10.1021/acs.orglett.7b01969. Epub 2017 Sep 01.

γ-Amino butyric acid (GABA) is the chief inhibitory neurotransmitter in the mammalian central nervous system. Many GABA derivatives are used clinically to prevent or treat neurodegenerative diseases. Copper-catalyzed carboamination of alkenes offers an efficient method to fashion the core...

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Zhu N, Wang T, Ge L, et al. γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes. Org Lett. 2017;19(18):4718-4721doi: 10.1021/acs.orglett.7b01969.
Zhu, N., Wang, T., Ge, L., Li, Y., Zhang, X., & Bao, H. (2017). γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes. Organic letters, 19(18), 4718-4721. https://doi.org/10.1021/acs.orglett.7b01969
Zhu, Nengbo, et al. "γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes." Organic letters vol. 19,18 (2017): 4718-4721. doi: https://doi.org/10.1021/acs.orglett.7b01969
Zhu N, Wang T, Ge L, Li Y, Zhang X, Bao H. γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes. Org Lett. 2017 Sep 15;19(18):4718-4721. doi: 10.1021/acs.orglett.7b01969. Epub 2017 Sep 01. PMID: 28862865.
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Showing 1 to 12 of 7450 entries