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Articles 31 - 43 of 43
Full-Text Articles in Physical Sciences and Mathematics
Supramolecular Complexation Of N-Alkyl- And N,N′-Dialkylpiperazines With Cucurbit[6]Uril In Aqueous Solution And In The Solid State, Mikhail V. Rekharsky, Hatsuo Yamamura, Tadashi Mori, Akihiro Sato, Motoo Shiro, Sergey V. Lindeman, Rajendra Rathore, Kouhei Shiba, Young Ho Ko, Narayanan Selvapalam, Kimoon Kim, Yoshihisa Inoue
Supramolecular Complexation Of N-Alkyl- And N,N′-Dialkylpiperazines With Cucurbit[6]Uril In Aqueous Solution And In The Solid State, Mikhail V. Rekharsky, Hatsuo Yamamura, Tadashi Mori, Akihiro Sato, Motoo Shiro, Sergey V. Lindeman, Rajendra Rathore, Kouhei Shiba, Young Ho Ko, Narayanan Selvapalam, Kimoon Kim, Yoshihisa Inoue
Chemistry Faculty Research and Publications
Water seeds: Complex stoichiometry/composition and degree of oligomerization (oligomeric supramolecular complex formation) of cucurbit[6]uril (CB[6]) with N-alkyl- and N,N′-dialkylpiperazine were investigated in aqueous solutions by means of isothermal titration calorimetry (ITC), ESI-MS, NMR and light scattering measurements. Complex stoichiometry/composition and degree of oligomerization (oligomeric supramolecular complex formation) of cucurbit[6]uril (CB[6]) with N-alkyl- and N,N′-dialkylpiperazine were investigated in aqueous solutions by means of isothermal titration calorimetry (ITC), ESI-MS, NMR and light scattering measurements. It was found that the complex stability and the degree of oligomerization increase with elongating the alkyl chain attached …
Terphenyl Crowns: A New Family Of Receptors Containing Ethereal Canopies That Direct Potassium Cation Onto Benzenoid Platforms For Cation–Π Interactions, Ruchi Shukla, Sergey V. Lindeman, Rajendra Rathore
Terphenyl Crowns: A New Family Of Receptors Containing Ethereal Canopies That Direct Potassium Cation Onto Benzenoid Platforms For Cation–Π Interactions, Ruchi Shukla, Sergey V. Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications
We have synthesized three simple and versatile terphenyl crowns (TC) receptors containing ethereal canopies that direct a potassium cation for efficient cation–π interactions as established by 1H NMR spectroscopy and by isolation and X-ray crystallography of their K+ salts.
Molecular Motion And Performance Enhancement Of Borazan Fluorescent Dyes, Tyler James Morin, Sergey Lindeman, James R. Gardinier
Molecular Motion And Performance Enhancement Of Borazan Fluorescent Dyes, Tyler James Morin, Sergey Lindeman, James R. Gardinier
Chemistry Faculty Research and Publications
The preparation of three 2,6-dipyrazolyl-4-X-anilines, H(pz2AnX) (X = p-CF3, Cl, tBu) using CuI-catalyzed amination is described. Subsequent reactions of H(pz2AnX) with triphenylboron proceeds with benzene elimination to give the corresponding Ph2B(pz2AnX) compounds in high yields. The Ph2B(pz2AnX) are more highly emissive in the solid state than the previously reported BORAZAN fluorophores, Ph2B(pzAnX), their monopyrazolyl counterparts. As with the Ph2B(pzAnX), the color of emission in Ph2B(pz2 …
Tetranuclear Group 7/8 Mixed-Metal And Open Trinuclear Group 7 Metal Carbonyl Clusters Bearing Bridging 2-Mercapto-1-Methylimidazole Ligands, Shishir Ghosh, Shariff E. Kabir, Salina Pervin, Arun K. Raha, G. M. Golzar Hossain, Daniel T. Haworth, Sergey V. Lindeman, Dennis W. Bennett, Tasneem Siddiquee, Luca Salassa, Herbert W. Roesky
Tetranuclear Group 7/8 Mixed-Metal And Open Trinuclear Group 7 Metal Carbonyl Clusters Bearing Bridging 2-Mercapto-1-Methylimidazole Ligands, Shishir Ghosh, Shariff E. Kabir, Salina Pervin, Arun K. Raha, G. M. Golzar Hossain, Daniel T. Haworth, Sergey V. Lindeman, Dennis W. Bennett, Tasneem Siddiquee, Luca Salassa, Herbert W. Roesky
Chemistry Faculty Research and Publications
The reactivity of group 7 metal dinuclear carbonyl complexes [M2(CO)6(μ-SN2C4H5)2] (1, M = Re; 2, M = Mn) toward group 8 metal trinuclear carbonyl clusters were examined. Reactions of 1 and 2 with [Os3(CO)10(NCMe)2] in refluxing benzene furnished the tetranuclear mixed-metal clusters [Os3Re(CO)13(μ3-SN2C4H5)] (3) and [Os3Mn(CO)13(μ3-SN2C4H5)] (4), respectively. Similar treatment of …
Carbon−Phosphorus Bond Activation Of Tri(2-Thienyl)Phosphine At Dirhenium And Dimanganese Centers, Md. Nazim Uddin, M. Abdul Mottalib, Noorjahan Begum, Shishir Ghosh, Arun K. Raha, Daniel T. Haworth, Sergey V. Lindeman, Tasneem Siddiquee, Dennis W. Bennett, Graeme Hogarth, Ebbe Nordlander, Shariff E. Kabir
Carbon−Phosphorus Bond Activation Of Tri(2-Thienyl)Phosphine At Dirhenium And Dimanganese Centers, Md. Nazim Uddin, M. Abdul Mottalib, Noorjahan Begum, Shishir Ghosh, Arun K. Raha, Daniel T. Haworth, Sergey V. Lindeman, Tasneem Siddiquee, Dennis W. Bennett, Graeme Hogarth, Ebbe Nordlander, Shariff E. Kabir
Chemistry Faculty Research and Publications
Reaction of [Re2(CO)9(NCMe)] with tri(2-thienyl)phosphine (PTh3) in refluxing cyclohexane affords three substituted dirhenium complexes: [Re2(CO)9(PTh3)] (1), [Re2(CO)8(NCMe)(PTh3)] (2), and [Re2(CO)8(PTh3)2] (3). Complex 2 was also obtained from the room-temperature reaction of [Re2(CO)8(NCMe)2] with PTh3 and is an unusual example in which the acetonitrile and phosphine ligands are coordinated to the same rhenium atom. Thermolysis of 1 and 3 in refluxing xylene …
Octamethoxydibenzochrysene: Isolation And X-Ray Crystallographic Characterization Of A Twisted Polyaromatic Cation Radical, Tushar Navale, Linyi Zhai, Sergey V. Lindeman, Rajendra Rathore
Octamethoxydibenzochrysene: Isolation And X-Ray Crystallographic Characterization Of A Twisted Polyaromatic Cation Radical, Tushar Navale, Linyi Zhai, Sergey V. Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications
The isolation and X-ray crystal structure determination of octamethoxydibenzochrysene (3) cation radical together with DFT calculations allow us to delineate evidence that the complex structural changes (i.e. elongation and shortening of various bonds) in a polyaromatic hydrocarbon can be predicted based on the positioning of the largest bonding and antibonding character of the HOMO.
Mutation Of H63 And Its Catalytic Affect On The Methionine Aminopeptidase From Escherichia Coli, Sanghamitra Mitra, Brian Bennett, Richard C. Holz
Mutation Of H63 And Its Catalytic Affect On The Methionine Aminopeptidase From Escherichia Coli, Sanghamitra Mitra, Brian Bennett, Richard C. Holz
Chemistry Faculty Research and Publications
In order to gain insight into the mechanistic role of a flexible exterior loop near the active site, made up of Y62, H63, G64, and Y65, that has been proposed to play an important role in substrate binding and recognition in the methionyl aminopeptidase from Escherichia coli (EcMetAP-I), the H63A enzyme was prepared. Mutation of H63 to alanine does not affect the ability of the enzyme to bind divalent metal ions. The specific activity of H63A EcMetAP-I was determined using four different substrates of varying lengths, namely, l-Met-p-NA, MAS, MGMM and MSSHRWDW. For the smallest/shortest …
Substrate Induced Structural And Dynamics Changes In Human Phosphomevalonate Iinase And Implications For Mechanism, Andrew Lawrence Olson, Huili Yao, Timothy J. Herdendorf, Henry M. Miziorko, Supa Hannongbua, Patchareenat Saparpakom, Sheng Cai, Daniel S. Sem
Substrate Induced Structural And Dynamics Changes In Human Phosphomevalonate Iinase And Implications For Mechanism, Andrew Lawrence Olson, Huili Yao, Timothy J. Herdendorf, Henry M. Miziorko, Supa Hannongbua, Patchareenat Saparpakom, Sheng Cai, Daniel S. Sem
Chemistry Faculty Research and Publications
Phosphomevalonate kinase (PMK) catalyzes an essential step in the mevalonate pathway, which is the only pathway for synthesis of isoprenoids and steroids in humans. PMK catalyzes transfer of the γ-phosphate of ATP to mevalonate 5-phosphate (M5P) to form mevalonate 5-diphosphate. Bringing these phosphate groups in proximity to react is especially challenging, given the high negative charge density on the four phosphate groups in the active site. As such, conformational and dynamics changes needed to form the Michaelis complex are of mechanistic interest. Herein, we report the characterization of substrate induced changes (Mg-ADP, M5P, and the ternary complex) in PMK using …
Efficient Dehydrogenation Of Amines And Carbonyl Compounds Catalyzed By A Tetranuclear Ruthenium-Μ-Oxo-Μ-Hydroxo-Hydride Complex, Chae S. Yi, Do W. Lee
Efficient Dehydrogenation Of Amines And Carbonyl Compounds Catalyzed By A Tetranuclear Ruthenium-Μ-Oxo-Μ-Hydroxo-Hydride Complex, Chae S. Yi, Do W. Lee
Chemistry Faculty Research and Publications
The tetranuclear ruthenium-μ-oxo-μ-hydroxo-hydride complex {[(PCy3)(CO)RuH]4(μ4-O)(μ3-OH)(μ2-OH)} (1) was found to be a highly effective catalyst for the transfer dehydrogenation of amines and carbonyl compounds. For example, the initial turnover rate of the dehydrogenation of 2-methylindoline was measured to be 1.9 s−1 with a TON of 7950 after 1 h at 200 °C. The extensive H/D scrambling patterns observed from the dehydrogenation reaction of indoline-N-d1 and indoline-α-d2 suggest a monohydride mechanistic pathway with the C−H bond activation rate-limiting step.
13c-Methyl Isocyanide As An Nmr Probe For Cytochrome P450 Active Site, Christopher R Mccullough, Phani Kumar Pullela, Sang-Choul Im, Lucy Waskell, Daniel S. Sem
13c-Methyl Isocyanide As An Nmr Probe For Cytochrome P450 Active Site, Christopher R Mccullough, Phani Kumar Pullela, Sang-Choul Im, Lucy Waskell, Daniel S. Sem
Chemistry Faculty Research and Publications
The cytochromes P450 (CYPs) play a central role in many biologically important oxidation reactions, including the metabolism of drugs and other xenobiotic compounds. Because they are often assayed as both drug targets and anti-targets, any tools that provide: (a) confirmation of active site binding and (b) structural data, would be of great utility, especially if data could be obtained in reasonably high throughput. To this end, we have developed an analog of the promiscuous heme ligand, cyanide,with a 13CH3-reporter attached. This 13C-methyl isocyanide ligand binds to bacterial (P450cam) and membrane-bound mammalian (CYP2B4) CYPs. It can be …
Molecular Actuator: Redox-Controlled Clam-Like Motion In A Bichromophoric Electron Donor, Vincent J. Chebny, Ruchi Shukla, Sergey V. Lindeman, Rajendra Rathore
Molecular Actuator: Redox-Controlled Clam-Like Motion In A Bichromophoric Electron Donor, Vincent J. Chebny, Ruchi Shukla, Sergey V. Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications
The one-electron oxidation of tetramethoxydibenzobicyclo[4.4.1]undecane (4) prompts it to undergo a clam-like electromechanical actuation into a cofacially π-stacked conformer as established by (i) electrochemical analysis, (ii) by the observation of the intense charge-resonance transition in the near IR region in its cation radical spectrum, and (iii) by X-ray crystallographic characterization of the isolated cation radical salt (4+• SbCl6−).
A Versatile Synthesis Of Electroactive Stilbenoprismands For Effective Binding Of Metal Cations, Sergey V. Lindeman, Rajendra Rathore, Paromita Debroy
A Versatile Synthesis Of Electroactive Stilbenoprismands For Effective Binding Of Metal Cations, Sergey V. Lindeman, Rajendra Rathore, Paromita Debroy
Chemistry Faculty Research and Publications
A versatile synthesis of a new class of polyaromatic receptors (stilbenoprismands) containing a Δ-shaped cavity similar to that of the π-prismand together with an intimately coupled electroactive stilbenoid moiety was accomplished via an efficient intramolecular McMurry coupling reaction. The presence of the Δ-shaped cavity in stilbenoprismands allows an efficient binding of a single silver cation as probed by 1H NMR spectroscopy. Electron-rich stilbenoprismands undergo a ready oxidation to their highly robust cation−radical and dicationic salts. X-ray structure determination of a representative dicationic stilbenoprismand showed that the charges were largely localized on the tetraarylethylene moiety, which results in a twisting …
A Versatile Preparation Of Geländer-Type P-Terphenyls From A Readily Available Diacetylenic Precursor, Matthew J. Modjewski, Sergey V. Lindeman, Rajendra Rathore
A Versatile Preparation Of Geländer-Type P-Terphenyls From A Readily Available Diacetylenic Precursor, Matthew J. Modjewski, Sergey V. Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications
A series of doubly bridged p-terphenyls (4) have been synthesized utilizing a facile three-step synthesis starting from the readily available diacetylenic precursor (1) in excellent overall yields, and their structures were confirmed by 1H/13C NMR spectroscopy as well as by X-ray crystallography. The racemization barrier between the meso and chiral atropisomers of one of the derivatives of 4 was found to be ∼12 kcal/mol by variable-temperature NMR spectroscopy. The versatility of the protocol developed herein was further demonstrated by the preparation of a quadruply bridged penta-p-phenylene derivative.