Hirao H - Search Results

1

To rebound or dissociate? This is the mechanistic question in C-H hydroxylation by heme and nonheme metal-oxo complexes.

Cho KB, Hirao H, Shaik S, Nam W. Cho KB, et al. Among authors: hirao h. Chem Soc Rev. 2016 Mar 7;45(5):1197-210. doi: 10.1039/c5cs00566c. Chem Soc Rev. 2016. PMID: 26690848 Review.

2

Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligand.

Kumar D, de Visser SP, Sharma PK, Hirao H, Shaik S. Kumar D, et al. Among authors: hirao h. Biochemistry. 2005 Jun 7;44(22):8148-58. doi: 10.1021/bi050348c. Biochemistry. 2005. PMID: 15924434

3

Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?

Kumar D, Hirao H, Que L Jr, Shaik S. Kumar D, et al. Among authors: hirao h. J Am Chem Soc. 2005 Jun 8;127(22):8026-7. doi: 10.1021/ja0512428. J Am Chem Soc. 2005. PMID: 15926822

4

Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450.

Hirao H, Kumar D, Thiel W, Shaik S. Hirao H, et al. J Am Chem Soc. 2005 Sep 21;127(37):13007-18. doi: 10.1021/ja053847+. J Am Chem Soc. 2005. PMID: 16159296

5

Gauging the relative oxidative powers of compound I, ferric-hydroperoxide, and the ferric-hydrogen peroxide species of cytochrome P450 toward C-H hydroxylation of a radical clock substrate.

Derat E, Kumar D, Hirao H, Shaik S. Derat E, et al. Among authors: hirao h. J Am Chem Soc. 2006 Jan 18;128(2):473-84. doi: 10.1021/ja056328f. J Am Chem Soc. 2006. PMID: 16402834

6

Theoretical analysis of the structural and electronic properties of metalloporphyrin pi-cation radicals.

Hirao H, Shaik S, Kozlowski PM. Hirao H, et al. J Phys Chem A. 2006 May 11;110(18):6091-9. doi: 10.1021/jp0558066. J Phys Chem A. 2006. PMID: 16671680

7

Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes.

Hirao H, Kumar D, Que L Jr, Shaik S. Hirao H, et al. J Am Chem Soc. 2006 Jul 5;128(26):8590-606. doi: 10.1021/ja061609o. J Am Chem Soc. 2006. PMID: 16802826

8

New features in the catalytic cycle of cytochrome P450 during the formation of compound I from compound 0.

Kumar D, Hirao H, de Visser SP, Zheng J, Wang D, Thiel W, Shaik S. Kumar D, et al. Among authors: hirao h. J Phys Chem B. 2005 Oct 27;109(42):19946-51. doi: 10.1021/jp054754h. J Phys Chem B. 2005. PMID: 16853579

9

On the identity and reactivity patterns of the "second oxidant" of the T252A mutant of cytochrome P450cam in the oxidation of 5-methylenenylcamphor.

Hirao H, Kumar D, Shaik S. Hirao H, et al. J Inorg Biochem. 2006 Dec;100(12):2054-68. doi: 10.1016/j.jinorgbio.2006.09.001. Epub 2006 Sep 19. J Inorg Biochem. 2006. PMID: 17084458

Therefore, in the absence of Compound I, Compound 0 will be capable of epoxidizing double bonds. Previous studies [E. Derat, D. Kumar, H. Hirao, S. Shaik, J. Am. Chem. Soc. 128 (2006) 473-484] showed that in the case of a substrate that can undergo only C-H a …

Therefore, in the absence of Compound I, Compound 0 will be capable of epoxidizing double bonds. Previous studies [E. Derat, D. Kumar, H …

10

Proton-shuffle mechanism of O-O activation for formation of a high-valent oxo-iron species of bleomycin.

Kumar D, Hirao H, Shaik S, Kozlowski PM. Kumar D, et al. Among authors: hirao h. J Am Chem Soc. 2006 Dec 20;128(50):16148-58. doi: 10.1021/ja064611o. J Am Chem Soc. 2006. PMID: 17165768

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