Dybala-Defratyka A - Search Results

1

Can Alkaline Hydrolysis of γ-HCH Serve as a Model Reaction to Study Its Aerobic Enzymatic Dehydrochlorination by LinA?

Kannath S, Adamczyk P, Wu L, Richnow HH, Dybala-Defratyka A. Kannath S, et al. Among authors: dybala defratyka a. Int J Mol Sci. 2019 Nov 26;20(23):5955. doi: 10.3390/ijms20235955. Int J Mol Sci. 2019. PMID: 31779285 Free PMC article.

2

DFT study of trichloroethene reaction with permanganate in aqueous solution.

Adamczyk P, Dybala-Defratyka A, Paneth P. Adamczyk P, et al. Environ Sci Technol. 2011 Apr 1;45(7):3006-11. doi: 10.1021/es103251u. Epub 2011 Mar 7. Environ Sci Technol. 2011. PMID: 21381718

3

Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution.

Kannath S, Adamczyk P, Ferro-Costas D, Fernández-Ramos A, Major DT, Dybala-Defratyka A. Kannath S, et al. Among authors: dybala defratyka a. J Chem Theory Comput. 2020 Feb 11;16(2):847-859. doi: 10.1021/acs.jctc.9b00774. Epub 2020 Jan 21. J Chem Theory Comput. 2020. PMID: 31904954 Free PMC article.

4

Seeking the Source of Catalytic Efficiency of Lindane Dehydrochlorinase, LinA.

Sowińska A, Vasquez L, Żaczek S, Manna RN, Tuñón I, Dybala-Defratyka A. Sowińska A, et al. Among authors: dybala defratyka a. J Phys Chem B. 2020 Nov 19;124(46):10353-10364. doi: 10.1021/acs.jpcb.0c08976. Epub 2020 Nov 4. J Phys Chem B. 2020. PMID: 33146535 Free PMC article.

5

Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase.

Dybala-Defratyka A, Paneth P, Banerjee R, Truhlar DG. Dybala-Defratyka A, et al. Proc Natl Acad Sci U S A. 2007 Jun 26;104(26):10774-9. doi: 10.1073/pnas.0702188104. Epub 2007 Jun 20. Proc Natl Acad Sci U S A. 2007. PMID: 17581872 Free PMC article.

6

Kinetic isotope effects on dehalogenations at an aromatic carbon.

Dybala-Defratyka A, Szatkowski L, Kaminski R, Wujec M, Siwek A, Paneth P. Dybala-Defratyka A, et al. Environ Sci Technol. 2008 Nov 1;42(21):7744-50. doi: 10.1021/es800276y. Environ Sci Technol. 2008. PMID: 19031855

7

A new scheme to calculate isotope effects.

Swiderek K, Dybala-Defratyka A, Rohr DR. Swiderek K, et al. J Mol Model. 2011 Sep;17(9):2175-82. doi: 10.1007/s00894-010-0868-4. Epub 2010 Oct 19. J Mol Model. 2011. PMID: 20957502 Free PMC article.

8

A computational study on enzymatically driven oxidative coupling of chlorophenols: an indirect dehalogenation reaction.

Szatkowski L, Dybala-Defratyka A. Szatkowski L, et al. Chemosphere. 2013 Apr;91(3):258-64. doi: 10.1016/j.chemosphere.2012.11.022. Epub 2012 Dec 27. Chemosphere. 2013. PMID: 23273327

9

A computational study of the dechlorination of β-hexachlorocyclohexane (β-HCH) catalyzed by the haloalkane dehalogenase LinB.

Manna RN, Dybala-Defratyka A. Manna RN, et al. Arch Biochem Biophys. 2014 Nov 15;562:43-50. doi: 10.1016/j.abb.2014.07.028. Epub 2014 Aug 4. Arch Biochem Biophys. 2014. PMID: 25102308

10

Characteristic isotope fractionation patterns in s-triazine degradation have their origin in multiple protonation options in the s-triazine hydrolase TrzN.

Schürner HK, Seffernick JL, Grzybkowska A, Dybala-Defratyka A, Wackett LP, Elsner M. Schürner HK, et al. Environ Sci Technol. 2015 Mar 17;49(6):3490-8. doi: 10.1021/es5055385. Epub 2015 Mar 3. Environ Sci Technol. 2015. PMID: 25688667

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