Projects funded by the NCN
Mechanism of enzymatic hydrolysis of s-triazines
2011/01/N/ST4/02461
Keywords:
chlorine kinetic isotope effect triazines chlorohydrolases dehalogenation QM/MM
Descriptors:
- ST4_13: Solid-state chemistry, surface physicochemistry
- ST4_14: Catalysis
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Politechnika Łódzka, Wydział Chemiczny
woj. łódzkie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM 1 - announced on 2011-03-15
Amount awarded: 172 150 PLN
Project start date (Y-m-d): 2011-12-27
Project end date (Y-m-d): 2015-05-26
Project duration:: 41 months (the same as in the proposal)
Project status: Project settled
Equipment purchased [PL]
- Dygestorium do prac bezchlorkowych (30 000 PLN)
- Licencje najnowszych wersji oprogramowania (CHARMM, QSite,Jaguar) do obliczeń kwantowomechanicznych w schemacie QM/MM (5 000 PLN)
Information in the final report
- Publication in academic press/journals (2)
- Characteristic Isotope Fractionation Patterns in s-Triazine Degradation Have Their Origin in Multiple Protonation Options in the s-Triazine Hydrolase TrzNAuthors:Heide K. V. Schurner, Jennifer L. Seffernick, Anna Grzybkowska, Agnieszka Dybala-Defratyka, Lawrence P. Wackett, Martin ElsnerAcademic press:Environmental Science & Technology (rok: 2015, tom: 49, strony: 3490-3498), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/es5055385 - link to the publication
- Theoretical predictions of isotope effects versus their experimental values for an example of uncatalyzed hydrolysis of atrazineAuthors:Anna Grzybkowska, Rafał Kamiński, Agnieszka Dybała-DefratykaAcademic press:Physical Chemistry Chemical Physics (rok: 2014, tom: 16, strony: 15164-15172), Wydawca: Royal Society of ChemistryStatus:PublishedDOI:10.1039/C4CP00914B - link to the publication