Research Topics
| Steve ScheinerSummaryAffiliation: Utah State University Country: USA Publications
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Detail Information
Publications
Analysis of the reactivities of protein C-H bonds to H atom abstraction by OH radicalSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322, United States
J Am Chem Soc 132:16450-9. 2010..This low-energy complex represents a kinetic trap which raises the energy needed to surmount the ensuing H· transfer barrier...- Weak H-bonds. Comparisons of CH···O to NH···O in proteins and PH···N to direct P···N interactionsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322 0300, USA
Phys Chem Chem Phys 13:13860-72. 2011..This approach is stabilized by the same sort of electron transfer from the N lone pair to the P-H ?* antibond that characterizes the PH···N H-bond... - On the properties of X···N noncovalent interactions for first-, second-, and third-row X atomsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Chem Phys 134:164313. 2011.... - Abilities of different electron donors (D) to engage in a P···D noncovalent interactionSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Phys Chem A 115:11101-10. 2011..The carbon ? systems form surprisingly strong P···D complexes, augmented by the back-donation from the P lone pair to the C-C ?* antibond, which surpass the strengths of H-bonds, even some with HF as proton donor... - Identification of spectroscopic patterns of CH...O H-bonds in proteinsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Phys Chem B 113:10421-7. 2009..The aforementioned features are not produced by other H-bonds in which the protein backbone might participate, such as NH proton donation or accepting a proton via the peptide C=O... - Effects of substituents upon the P···N noncovalent interaction: the limits of its strengthSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, United States
J Phys Chem A 115:11202-9. 2011..A breakdown of the individual forces involved attributes the stability of the interaction to approximately equal parts electrostatic and induction energy, with a smaller contribution from dispersion... - Contributions of NH...O and CH...O hydrogen bonds to the stability of beta-sheets in proteinsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322-0300, USA
J Phys Chem B 110:18670-9. 2006..As a result, there is little energetic distinction between the NH...O and CH...O bonds in the full antiparallel beta-sheet, just as in the parallel structure... - Effect of solvent upon CH...O hydrogen bonds with implications for protein foldingSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Phys Chem B 109:3681-9. 2005..O H-bonds than for the nominally stronger conventional OH...O H-bond. This finding suggests that CH...O bonds can make important energetic contributions to protein folding, on par with those made by traditional H-bonds... - A new noncovalent force: Comparison of P[middle dot][middle dot][middle dot]N interaction with hydrogen and halogen bondsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Chem Phys 134:094315. 2011..Natural bond orbital analysis, energy decomposition, and visualization of total electron density shifts reveal other similarities and differences between the three sorts of molecular interaction... - Comparison of P···D (D = P,N) with other noncovalent bonds in molecular aggregatesUpendra Adhikari
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Chem Phys 135:184306. 2011..The energy spacing of the oligomers is much smaller than that in the corresponding strongly H-bonded complexes such as the water trimer... - Analysis of catalytic mechanism of serine proteases. Viability of the ring-flip hypothesisSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Phys Chem B 112:6837-46. 2008..The calculations provide detailed information concerning the nature, geometry, and strength of hydrogen bonds that are formed within the active site at each stage of the enzymatic mechanism... - The strength with which a peptide group can form a hydrogen bond varies with the internal conformation of the polypeptide chainSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Phys Chem B 111:11312-7. 2007..O H-bonds in parallel and antiparallel beta-sheets are expected to be significantly weaker than those found in other conformations, such as helices, ribbons, and beta-bends, even if the H-bond geometries are similar... - Relative strengths of NH..O and CH..O hydrogen bonds between polypeptide chain segmentsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322 0300, USA
J Phys Chem B 109:16132-41. 2005..Likewise, the desolvation penalty, suffered by removing a H-bonded complex from water and placing it in the less polar interior of a protein, is quite similar for the NH..O and CH..O bonds... - Substituent effects on CL···N, S···N, and P···N noncovalent bondsUpendra Adhikari
Department of Chemistry and Biochemistry, Utah State University, Logan, 84322 0300, United States
J Phys Chem A 116:3487-97. 2012..These A···N bonds typically represent the lowest-energy structure on each potential energy surface, stronger than H-bonds such as NH···F, CH···N, or SH···N... - Effects of peripheral substituents and axial ligands on the electronic structure and properties of iron phthalocyanineMeng-Sheng Liao
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322-0300, USA
Inorg Chem 43:7151-61. 2004..Axial ligands also exert an effect on ionization potentials and electron affinity and can, as observed experimentally, even change the site of oxidation/reduction... - Comparison of various types of hydrogen bonds involving aromatic amino acidsSteve Scheiner
Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322-0300, USA
J Am Chem Soc 124:13257-64. 2002..A protonated residue such as HisH(+) makes for a very powerful proton donor, such that even its CH..O H-bonds are stronger than the conventional H-bonds formed by neutral groups...