Protein-enzyme reaction followed by vibrational spectroscopy and dft (density functional theory) characterization
tarafından
 
Öztoprak, Nazlı, author.

Başlık
Protein-enzyme reaction followed by vibrational spectroscopy and dft (density functional theory) characterization

Yazar
Öztoprak, Nazlı, author.

Yazar Ek Girişi
Öztoprak, Nazlı, author.

Fiziksel Tanımlama
xiii, 82 leaves: 1 computer laser optical disc.

Özet
Whey proteins are crucial for many functions of the human body. Determining the structural properties of the protein with the enzymatic hydrolysis makes it possible to improve food quality, identify allergens and better understand food poisoning. In this study, the structural alterations of β-Lactoglobulin (model whey protein) were investigated during proteolysis. Trypsin was used as a model enzyme. Digestion of β-LG by trypsin at different concentrations were measured by Fourier transform infrared (FTIR) spectroscopy as well as by Raman spectroscopy to identify the degradation of the protein and to verify the enzymatic reactions results at various temperatures in real time. Afterwards, the advanced analysis techniques, two-dimensional correlation spectroscopy (2DCOS) and curve-fitting analysis, were applied. In addition, the experimental measurements were supplemented with DFT simulations. Based on the FTIR spectroscopy results, the most notable changes take place in the amide I (1600-1700 cm-1) and in the amide II (1480-1580 cm-1) regions. FTIR spectroscopic results revealed that the structural elements of β-LG broken down and degraded during the enzymatic digestion. Moreover, the carboxylate groups (COO-) gives rise in the infrared range (1605-1580 cm-1) as released products. Raman spectroscopic results demonstrate that β-LG loses its secondary structure and the product is formed around 1425 cm-1 arising from the carboxylate groups (COO-) due to the digestion. DFT results show that the Raman spectrum of single unit arginine and lysine residues can be predicted by DFT method. Furthermore, DFT calculations give the rise at 1683 cm-1 and 3540 cm-1 caused by C-N vibrations and N-H vibrations arising from the amino groups (NH2+), respectively.

Konu Başlığı
Biophysics
 
Density functionals.
 
Vibrational spectra.

Yazar Ek Girişi
Güler, Günnur,
 
Yağmurcukardeş, Mehmet,

Tüzel Kişi Ek Girişi
İzmir Institute of Technology. Photonics Science and Engineering.

Tek Biçim Eser Adı
Thesis (Master)--İzmir Institute of Technology:Photonics Science and Engineering.
 
İzmir Institute of Technology: Photonics--Thesis (Master).


LibraryMateryal TürüDemirbaş NumarasıYer NumarasıDurumu/İade Tarihi
IYTE LibraryTezT002841QH324 .O99 2023Tez Koleksiyonu