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Full-Text Articles in Physical Sciences and Mathematics

Synthesis, Crystal Structure, And Photoluminescent Properties Of 3,3′,4,4′-Tetraethyl-5,5′-Divinyl-2,2′-Bipyrrole Derivatives, Toru Okawara, Reo Kawano, Hiroya Morita, Alan Finkelstein, Renjiro Toyofuku, Kanako Matsumoto, Kenji Takehara, Toshihiko Nagamura, Seiji Iwasa, Sanjai Kumar Oct 2017

Synthesis, Crystal Structure, And Photoluminescent Properties Of 3,3′,4,4′-Tetraethyl-5,5′-Divinyl-2,2′-Bipyrrole Derivatives, Toru Okawara, Reo Kawano, Hiroya Morita, Alan Finkelstein, Renjiro Toyofuku, Kanako Matsumoto, Kenji Takehara, Toshihiko Nagamura, Seiji Iwasa, Sanjai Kumar

Publications and Research

Photoluminescent divinylbipyrroles were synthesized from 3,3′,4,4′-tetraetyl-2,2′-bipyrrole-5,5′-dicarboxaldehyde and activated methylene compounds via aldol condensation.For mechanistic clarity, molecular structures of Meldrum’s acid- and 1,3-dimethylbarbituricacid-derived divinylbipyrroles were determined by single-crystal X-ray diffraction. Photoluminescentproperties of the synthesized divinylbipyrroles in dichloromethane were found to be dependent onthe presence of electron withdrawing groups at the vinylic terminal. The divinylbipyrroles derivedfrom malononitrile, Meldrum’s acid, and 1,3-dimethylbarbituric acid showed fluorescent peaks at553, 576, and 602 nm respectively. Computational studies indicated that the alkyl substituents on thebipyrrole 3 and 3′positions increased energy level of the highest occupied molecular orbital (HOMO)compared to the unsubstituted derivatives and provided rationale for the …


Ligand Modulation Of Sidechain Dynamics In A Wild-Type Human Gpcr, Lindsay D. Clark, Igor Dikiy, Karen Chapman, Karin Ej Rodstrom, James Aramini, Michael V. Levine, George Khelashvili, Soren Gf Rasmussen, Kevin H. Gardner, Daniel M. Rosenbaum Oct 2017

Ligand Modulation Of Sidechain Dynamics In A Wild-Type Human Gpcr, Lindsay D. Clark, Igor Dikiy, Karen Chapman, Karin Ej Rodstrom, James Aramini, Michael V. Levine, George Khelashvili, Soren Gf Rasmussen, Kevin H. Gardner, Daniel M. Rosenbaum

Publications and Research

GPCRs regulate all aspects of human physiology, and biophysical studies have deepened our understanding of GPCR conformational regulation by different ligands. Yet there is no experimental evidence for how sidechain dynamics control allosteric transitions between GPCR conformations. To address this deficit, we generated samples of a wild-type GPCR (A2AR) that are deuterated apart from 1H/13C NMR probes at isoleucine d1 methyl groups, which facilitated 1H/13C methyl TROSY NMR measurements with opposing ligands. Our data indicate that low [Na+] is required to allow large agonist-induced structural changes in A2AR, and that patterns of sidechain dynamics substantially differ between agonist (NECA) and …


Evolution Of Complex Target Selex To Identify Aptamers Against Mammalian Cell-Surface Antigens, Prabodhika R. Mallikaratchy Jan 2017

Evolution Of Complex Target Selex To Identify Aptamers Against Mammalian Cell-Surface Antigens, Prabodhika R. Mallikaratchy

Publications and Research

The demand has increased for sophisticated molecular tools with improved detection limits. Such molecules should be simple in structure, yet stable enough for clinical applications. Nucleic acid aptamers (NAAs) represent a class of molecules able to meet this demand. In particular, aptamers, a class of small nucleic acid ligands that are composed of single-stranded modified/unmodified RNA/DNA molecules, can be evolved from a complex library using Systematic Evolution of Ligands by EXponential enrichment (SELEX) against almost any molecule. Since its introduction in 1990, in stages, SELEX technology has itself undergone several modifications, improving selection and broadening the repertoire of targets. This …