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Full-Text Articles in Chemistry

Direct Patterning Of A Cyclotriveratrylene Derivative For Directed Self-Assembly Of C60, Zachary R. Osner, Dorjderem Nyamjav, Richard C. Holz, Daniel P. Becker Jul 2011

Direct Patterning Of A Cyclotriveratrylene Derivative For Directed Self-Assembly Of C60, Zachary R. Osner, Dorjderem Nyamjav, Richard C. Holz, Daniel P. Becker

Chemistry: Faculty Publications and Other Works

A novel apex-modified cyclotriveratrylene (CTV) derivative with an attached thiolane-containing lipoic acid linker was directly patterned onto gold substrates via dip-pen nanolithography (DPN). The addition of a dithiolane-containing linker to the apex of CTV provides a molecule that can adhere to a gold surface with its bowl-shaped cavity directed away from the surface, thereby providing a surface-bound CTV host that can be used for the directed assembly of guest molecules. Subsequent exposure of these CTV microarrays to C60 in toluene resulted in the directed assembly of predesigned, spatially controlled, high-density microarrays of C60. The molecular recognition capabilities of this CTV …


Mmp-13 Selective Α-Sulfone Hydroxamates: A Survey Of P1' Heterocyclic Amide Isosteres, Thomas E. Barta, Daniel P. Becker, Louis J. Bedell, Alan M. Easton May 2011

Mmp-13 Selective Α-Sulfone Hydroxamates: A Survey Of P1' Heterocyclic Amide Isosteres, Thomas E. Barta, Daniel P. Becker, Louis J. Bedell, Alan M. Easton

Chemistry: Faculty Publications and Other Works

Seeking compounds preferentially potent and selective for MMP-13, we reported in the preceding Letter on a series of hydroxamic acids with a flexible benzamide tail groups.(1a) Here, we replace the amide moiety with non-hydrolyzable heterocycles in an effort to improve half-life. We identify a hydroxamate tetrazole 4e that spares MMP-1 and -14, shows >400-fold selectivity versus MMP-8 and >600-fold selectivity versus MMP-2, and has a 4.8 h half-life in rats. X-ray data (1.9 Å) for tetrazole 4c is presented.


Mmp-13 Selective Alpha-Sulfone Hydroxamates: Identification Of Selective P1' Amides, Yvette M. Fobian, John N. Freskos, Thomas E. Barta, Louis J. Bedell, Daniel Becker May 2011

Mmp-13 Selective Alpha-Sulfone Hydroxamates: Identification Of Selective P1' Amides, Yvette M. Fobian, John N. Freskos, Thomas E. Barta, Louis J. Bedell, Daniel Becker

Chemistry: Faculty Publications and Other Works

Continuing our interest in designing compounds preferentially potent and selective for MMP-13, we report on a series of hydroxamic acids with a flexible amide P1' substituents. We identify an amide which spares both MMP-1 and -14, and shows >500 fold selectivity for MMP-13 versus MMP-2 and -8.


The Unsuspected Pathway Of The Allosteric Transition In Hemoglobin, Stefan Fischer, Kenneth W. Olsen, Kwangho Nam, Martin Karplus Jan 2011

The Unsuspected Pathway Of The Allosteric Transition In Hemoglobin, Stefan Fischer, Kenneth W. Olsen, Kwangho Nam, Martin Karplus

Chemistry: Faculty Publications and Other Works

Large conformational transitions play an essential role in the function of many proteins, but experiments do not provide the atomic details of the path followed in going from one end structure to the other. For the hemoglobin tetramer, the transition path between the unliganded (T) and tetraoxygenated (R) structures is not known, which limits our understanding of the cooperative mechanism in this classic allosteric system, where both tertiary and quaternary changes are involved. The conjugate peak refinement algorithm is used to compute an unbiased minimum energy path at atomic detail between the two end states. Although the results confirm some …


Steps Toward Accurate Large Area Analyzes Of Genesis Solar Wind Samples: Evaluation Of Surface Cleaning Methods Using Total Reflection X-Ray Fluorescence Spectrometry, Martina Schmeling, Donald S. Burnett, Amy Jg Jurewicz, Igor V. Veryovkin Jan 2011

Steps Toward Accurate Large Area Analyzes Of Genesis Solar Wind Samples: Evaluation Of Surface Cleaning Methods Using Total Reflection X-Ray Fluorescence Spectrometry, Martina Schmeling, Donald S. Burnett, Amy Jg Jurewicz, Igor V. Veryovkin

Chemistry: Faculty Publications and Other Works

Total reflection X-ray fluorescence spectrometry (TXRF) was used to analyze residual surface contamination on Genesis solar wind samples and to evaluate different cleaning methods. The Genesis mission collected solar wind during a period of 854 days by embedding the charged particles into collectors made of various ultra clean materials such as silicon, sapphire and silicon-on-sapphire. The sample return capsule unexpectedly crashed on return to Earth fracturing the collectors and exposing them to the desert soil of the landing side. The ubiquitous contaminants are separated from the atoms of solar wind by only 5-15 nm, presenting significant challenges for solar wind …