Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Structural investigation of excited states of chiral compounds

2012/05/B/ST4/01236

Keywords:

circularly polarized luminscence circular dichroism quantum chemical calculations spektroscopic measurements proteins bioluminscence phosphorescence

Descriptors:

  • ST4_3: Molecular architecture and structure
  • ST4_15: Colloid chemistry
  • ST5_16:

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Magdalena Pecul-Kudelska 

Number of co-investigators in the project: 3

Call: OPUS 3 - announced on 2012-03-15

Amount awarded: 264 400 PLN

Project start date (Y-m-d): 2013-03-04

Project end date (Y-m-d): 2016-11-03

Project duration:: 44 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Drukarka laserowa (5 000 PLN)
  2. Komputer typu 'laptop' (5 692 PLN)
  3. Komputer typu 'laptop' (7 000 PLN)
  4. Uzupełnienie pamięci operacyjnej i rozbudowa macierzy dyskowej posiadanego przez Wydział Chemii UW klastra komputerowego. (40 000 PLN)
  5. program Turbomole (13 000 PLN)

Information in the final report

  • Publication in academic press/journals (5)
  1. Electronic circular dichroism of fluorescent proteins: a computational study.
    Authors:
    Anna Pikulska, Arnfinn Hykkerud Steindal, Maarten T. P. Beerepoot, Magdalena Pecul
    Academic press:
    Journal of Physical Chemistry B (rok: 2015, tom: 119, strony: 3377-3386), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp511199g - link to the publication
  2. A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption
    Authors:
    Maciej Kamiński, Janusz Cukras, Magdalena Pecul, Antonio Rizzo i Sonia Coriani
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2015, tom: 17, strony: 19079-19086), Wydawca: The Owner Societies
    Status:
    Published
    DOI:
    10.1039/c5cp02590g - link to the publication
  3. Thioflavin T: Electronic Circular Dichroism and Circularly Polarized Luminescence Induced by Amyloid Fibrils
    Authors:
    Anna Rybicka, Giovanna Longhi, Ettore Castiglioni, Sergio Abbate, Wojciech Dzwolak, Viktoria Babenko,and Magdalena Pecul
    Academic press:
    ChemPhysChem (rok: 2016, tom: 17, strony: 2931-2937), Wydawca: Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
    Status:
    Published
    DOI:
    10.1002/cphc.201600235 - link to the publication
  4. Calculations of Electronic Circular Dichroism and Circularly Polarized Luminescence of Fluorescent Proteins
    Authors:
    Anna Rybicka, Sandro Jurinovich, Benedetta Mennucci, i Magdalena Pecul
    Academic press:
    Journal of Physical Chemistry B , Wydawca: American Chemical Society
    Status:
    Submitted
    DOI:
    brak - link to the publication
  5. Induced circular dichroism of thioflavin T interacting with acetylcholinesterase: A computational study
    Authors:
    Anna Rybicka, Magdalena Pecul
    Academic press:
    Chemical Physics (rok: 2015, tom: 463, strony: 82-87), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.005 - link to the publication

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