Pretražite po imenu i prezimenu autora, mentora, urednika, prevoditelja

Napredna pretraga

Pregled bibliografske jedinice broj: 1080874

Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods


Jednačak, Tomislav; Majerić Elenkov, Maja; Hrenar, Tomica; Sović, Karlo; Parlov Vuković, Jelena; Novak, Predrag
Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods // Adriatic NMR Conference: Book of Abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena (ur.).
Zagreb: Department of Chemistry, Faculty of Science, 2020. str. 39-39 (poster, nije recenziran, sažetak, znanstveni)


CROSBI ID: 1080874 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods

Autori
Jednačak, Tomislav ; Majerić Elenkov, Maja ; Hrenar, Tomica ; Sović, Karlo ; Parlov Vuković, Jelena ; Novak, Predrag

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Adriatic NMR Conference: Book of Abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena - Zagreb : Department of Chemistry, Faculty of Science, 2020, 39-39

ISBN
978-953-6076-58-1

Skup
Adriatic NMR Conference

Mjesto i datum
Peroj, Hrvatska, 22.-24.09.2020

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
oxazolidinones ; hydrogen bonding ; solution and solid state structure ; NMR spectroscopy ; vibrational spectroscopy ; quantum chemical calculations

Sažetak
Oxazolidinones belong to an important class of aliphatic heterocycles with interesting biological properties, such as antimicrobial, psychotropic, anticoagulant, anticancer, fungicidal and antithyroid activities. Their solution- and solid-state structures are stabilized by intermolecular hydrogen bonds through NH and carboxyl moieties, which act as hydrogen bond donors and acceptors, respectively. Obtaining a detailed insight into the structure and dynamics of these interactions is a major prerequisite for the design of new drugs with enhanced biological properties. In this research we applied a combination of 1D and 2D NMR techniques, vibrational spectroscopy and quantum chemical calculations to study the structure and hydrogen bonding of bioactive oxazolidinones. It has been observed that in low polarity solvents, such as chloroform, dimers are formed presumably by intermolecular hydrogen bonds between oxazolidinone molecules forming the most stable complexes, which has also been found in the solid state (Figure 1a). In more polar solvents, like dimethylsulfoxide and methanol, intermolecular interactions with solvent molecules prevail. Changing the solution concentration considerably affected oxazolidinone resonances only in chloroform, further confirming the dimer formation (Figure 1b).

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekti:
HRZZ-IP-2016-06-3775 - Aktivnošću i in silico usmjeren dizajn malih bioaktivnih molekula (ADESIRE) (Hrenar, Tomica, HRZZ - 2016-06) ( POIROT)

Ustanove:
INA-Industrija nafte d.d.,
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Citiraj ovu publikaciju

Jednačak, Tomislav; Majerić Elenkov, Maja; Hrenar, Tomica; Sović, Karlo; Parlov Vuković, Jelena; Novak, Predrag
Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods // Adriatic NMR Conference: Book of Abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena (ur.).
Zagreb: Department of Chemistry, Faculty of Science, 2020. str. 39-39 (poster, nije recenziran, sažetak, znanstveni)
Jednačak, T., Majerić Elenkov, M., Hrenar, T., Sović, K., Parlov Vuković, J. & Novak, P. (2020) Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods. U: Bregović, N., Namjesnik, D., Novak, P. & Parlov Vuković, J. (ur.)Adriatic NMR Conference: Book of Abstracts.
@article{article, year = {2020}, pages = {39-39}, keywords = {oxazolidinones, hydrogen bonding, solution and solid state structure, NMR spectroscopy, vibrational spectroscopy, quantum chemical calculations}, isbn = {978-953-6076-58-1}, title = {Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods}, keyword = {oxazolidinones, hydrogen bonding, solution and solid state structure, NMR spectroscopy, vibrational spectroscopy, quantum chemical calculations}, publisher = {Department of Chemistry, Faculty of Science}, publisherplace = {Peroj, Hrvatska} }
@article{article, year = {2020}, pages = {39-39}, keywords = {oxazolidinones, hydrogen bonding, solution and solid state structure, NMR spectroscopy, vibrational spectroscopy, quantum chemical calculations}, isbn = {978-953-6076-58-1}, title = {Structural studies of substituted oxazolidinones by spectroscopic and quantum chemical methods}, keyword = {oxazolidinones, hydrogen bonding, solution and solid state structure, NMR spectroscopy, vibrational spectroscopy, quantum chemical calculations}, publisher = {Department of Chemistry, Faculty of Science}, publisherplace = {Peroj, Hrvatska} }




Contrast
Increase Font
Decrease Font
Dyslexic Font