Raugei S - Search Results

1

Modulation of active site electronic structure by the protein matrix to control [NiFe] hydrogenase reactivity.

Smith DM, Raugei S, Squier TC. Smith DM, et al. Among authors: raugei s. Phys Chem Chem Phys. 2014 Nov 21;16(43):24026-33. doi: 10.1039/c4cp03518f. Epub 2014 Oct 6. Phys Chem Chem Phys. 2014. PMID: 25285653

2

Comment on "New insights in the electrocatalytic proton reduction and hydrogen oxidation by bioinspired catalysts: a DFT investigation".

Dupuis M, Chen S, Raugei S, DuBois DL, Bullock RM. Dupuis M, et al. Among authors: raugei s. J Phys Chem A. 2011 May 12;115(18):4861-5. doi: 10.1021/jp111479z. Epub 2011 Apr 19. J Phys Chem A. 2011. PMID: 21504191

3

The role of a dipeptide outer-coordination sphere on H2-production catalysts: influence on catalytic rates and electron transfer.

Reback ML, Ginovska-Pangovska B, Ho MH, Jain A, Squier TC, Raugei S, Roberts JA, Shaw WJ. Reback ML, et al. Among authors: raugei s. Chemistry. 2013 Feb 4;19(6):1928-41. doi: 10.1002/chem.201202849. Epub 2012 Dec 11. Chemistry. 2013. PMID: 23233438

4

Enzyme design from the bottom up: an active nickel electrocatalyst with a structured peptide outer coordination sphere.

Reback ML, Buchko GW, Kier BL, Ginovska-Pangovska B, Xiong Y, Lense S, Hou J, Roberts JA, Sorensen CM, Raugei S, Squier TC, Shaw WJ. Reback ML, et al. Among authors: raugei s. Chemistry. 2014 Feb 3;20(6):1510-4. doi: 10.1002/chem.201303976. Epub 2014 Jan 17. Chemistry. 2014. PMID: 24443316

5

Substrate channel in nitrogenase revealed by a molecular dynamics approach.

Smith D, Danyal K, Raugei S, Seefeldt LC. Smith D, et al. Among authors: raugei s. Biochemistry. 2014 Apr 15;53(14):2278-85. doi: 10.1021/bi401313j. Epub 2014 Apr 2. Biochemistry. 2014. PMID: 24654842

6

The radical mechanism of biological methane synthesis by methyl-coenzyme M reductase.

Wongnate T, Sliwa D, Ginovska B, Smith D, Wolf MW, Lehnert N, Raugei S, Ragsdale SW. Wongnate T, et al. Among authors: raugei s. Science. 2016 May 20;352(6288):953-8. doi: 10.1126/science.aaf0616. Science. 2016. PMID: 27199421

7

CO2 Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and Methane.

Khadka N, Dean DR, Smith D, Hoffman BM, Raugei S, Seefeldt LC. Khadka N, et al. Among authors: raugei s. Inorg Chem. 2016 Sep 6;55(17):8321-30. doi: 10.1021/acs.inorgchem.6b00388. Epub 2016 Aug 8. Inorg Chem. 2016. PMID: 27500789 Free PMC article.

8

Homogeneous Ni catalysts for H2 oxidation and production: an assessment of theoretical methods, from density functional theory to post Hartree-Fock correlated wave-function theory.

Chen S, Raugei S, Rousseau R, Dupuis M, Bullock RM. Chen S, et al. Among authors: raugei s. J Phys Chem A. 2010 Dec 9;114(48):12716-24. doi: 10.1021/jp106800n. Epub 2010 Nov 11. J Phys Chem A. 2010. PMID: 21070021

9

Incorporating peptides in the outer-coordination sphere of bioinspired electrocatalysts for hydrogen production.

Jain A, Lense S, Linehan JC, Raugei S, Cho H, DuBois DL, Shaw WJ. Jain A, et al. Among authors: raugei s. Inorg Chem. 2011 May 2;50(9):4073-85. doi: 10.1021/ic1025872. Epub 2011 Apr 1. Inorg Chem. 2011. PMID: 21456543

10

Moving protons with pendant amines: proton mobility in a nickel catalyst for oxidation of hydrogen.

O'Hagan M, Shaw WJ, Raugei S, Chen S, Yang JY, Kilgore UJ, DuBois DL, Bullock RM. O'Hagan M, et al. Among authors: raugei s. J Am Chem Soc. 2011 Sep 14;133(36):14301-12. doi: 10.1021/ja201838x. Epub 2011 Jun 9. J Am Chem Soc. 2011. PMID: 21595478

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