Structural Properties ofl-X-l-Met-l-Ala Phosphonate Tripeptides: A Combined FT-IR, FT-RS, and SERS Spectroscopy Studies and DFT Calculations

2008 ◽  
Vol 112 (46) ◽  
pp. 11744-11755 ◽  
Author(s):  
Edyta Podstawka ◽  
Paweł Kafarski ◽  
Leonard M. Proniewicz
Keyword(s):  
Dft Calculations ◽  
Structural Properties ◽  
Ft Ir ◽  
Spectroscopy Studies

Vibrational Characterization ofl-Leucine Phosphonate Analogues: FT-IR, FT-Raman, and SERS Spectroscopy Studies and DFT Calculations

2011 ◽  
Vol 115 (40) ◽  
pp. 11067-11078 ◽  
Author(s):  
Edyta Podstawka-Proniewicz ◽  
Natalia Piergies ◽  
Dominika Skołuba ◽  
Paweł Kafarski ◽  
Younkyoo Kim ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ft Ir ◽  
Spectroscopy Studies ◽  
Ft Raman ◽  
Vibrational Characterization

Vibrational characterization of L -valine phosphonate dipeptides: FT-IR, FT-RS, and SERS spectroscopy studies and DFT calculations

2010 ◽  
Vol 42 (5) ◽  
pp. 958-979 ◽  
Author(s):  
Edyta Podstawka-Proniewicz ◽  
Marcin Andrzejak ◽  
Paweł Kafarski ◽  
Younkyoo Kim ◽  
Leonard M. Proniewicz
Keyword(s):  
Dft Calculations ◽  
Ft Ir ◽  
Spectroscopy Studies ◽  
Vibrational Characterization

Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations

2013 ◽  
Vol 1054-1055 ◽  
pp. 359-366 ◽  
Author(s):  
Agnieszka Jabłońska ◽  
Łukasz Ponikiewski ◽  
Krzysztof Ejsmont ◽  
Aleksander Herman ◽  
Anna Dołęga
Keyword(s):  
Dft Calculations ◽  
Structural Properties ◽  
X Ray ◽  
Ft Ir

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N′-dimethylamino pyridine

2008 ◽  
Vol 71 (3) ◽  
pp. 898-906 ◽  
Author(s):  
N. Sundaraganesan ◽  
S. Kalaichelvan ◽  
C. Meganathan ◽  
B. Dominic Joshua ◽  
J. Cornard
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Ft Ir ◽  
Hf And Dft Calculations ◽  
Ab Initio Hf ◽  
Ft Raman

New Ferrocene-Integrated Multifunctional Guanidine Surfactants: Synthesis, Spectroscopic Elucidation, DNA Interaction Studies, and DFT Calculations

2021 ◽  
Author(s):  
Sameen Nawaz ◽  
Faiza Asghar ◽  
Jahangeer Patujo ◽  
Saira Fatima ◽  
Babar Murtaza ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Atomic Absorption ◽  
Absorption Spectroscopy ◽  
13C Nmr ◽  
Atomic Absorption Spectroscopy ◽  
Analytical Methods ◽  
Dna Interaction ◽  
Interaction Studies ◽  
Ft Ir

Three new ferrocene-substituted aliphatic guanidines were successfully synthesized and well characterized by means of several analytical methods such as: FT-IR, 1H & 13C-NMR, Raman, atomic absorption spectroscopy (AAS), and elemental...

Catalytic properties of plate-like cadmium oxide nanoparticles in removal of sulfathiazole with anticancer activity

2018 ◽  
Vol 41 (3-4) ◽  
pp. 121-128 ◽  
Author(s):  
Leila Hoseini ◽  
Azar Bagheri
Keyword(s):  
Binding Constant ◽  
Cadmium Oxide ◽  
Reaction Times ◽  
Dna Interaction ◽  
New Drugs ◽  
Binding Modes ◽  
Hyperchromic Effect ◽  
Initial Ph ◽  
Ft Ir ◽  
Spectroscopy Studies

Abstract The study of the interaction of drugs with DNA is very exciting and significant not only for understanding the mechanism of the interaction but also for the design of new drugs. Here, we report the results of Fourier transform infrared (FT-IR) and ultraviolet (UV)-visible spectroscopy studies to determine the external binding modes of sulfathiazole (STZ), and the binding constant and stability of the STZ-DNA complex in aqueous solution. The results of absorption spectra showed that the interaction of STZ-DNA is weak because there is only a hyperchromic effect. A hyperchromic effect reflects the corresponding changes of DNA in its conformation and structure after the drug-DNA interaction has occurred. Spectroscopic evidence revealed that STZ binds DNA with an overall binding constant of K (STZ-DNA)=0.42×103 m−1. FT-IR spectroscopy showed that the complexation of STZ with DNA occurred via A-T and PO2 groups. Nano cadmium hydroxide has been synthesized using hexamine as the template at room temperature. Then, this nano cadmium hydroxide recrystallizes into nano cadmium oxide (CdO) at 400°C for 2 h. The product was characterized by using X-ray diffraction and scanning electron microscopy. The presence of drugs in aquatic media has emerged in the last decade as a new environmental risk. The other aim of this study was to investigate the degradation of the STZ antibiotic by nanosized CdO under ultraviolet irradiation. Various experimental parameters, such as initial CdO concentration, initial pH, and reaction times, were investigated. According to the results, this method has a good performance in the removal of STZ.

One new and six known triterpene xylosides from Cimicifuga racemosa: FT-IR, Raman and NMR studies and DFT calculations

2012 ◽  
Vol 93 ◽  
pp. 10-18 ◽  
Author(s):  
Marta K. Jamróz ◽  
Michał H. Jamróz ◽  
Jan Cz. Dobrowolski ◽  
Jan A. Gliński ◽  
Michał Gleńsk
Keyword(s):  
Dft Calculations ◽  
Cimicifuga Racemosa ◽  
Nmr Studies ◽  
Ft Ir

scholarly journals Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations

2020 ◽  
Vol 1204 ◽  
pp. 127534 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
Ana E. Ledesma ◽  
Elizabeth Imbarack ◽  
Patricio Leyton Bongiorno ◽  
Silvia Antonia Brandán
Keyword(s):  
Dft Calculations ◽  
Spectroscopic Studies ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

Structural and SQMFF study of potent insecticide 4′,4′-DDT combining the FT-IR and FT-Raman spectra with DFT calculations

2020 ◽  
Vol 1199 ◽  
pp. 126964 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
María V. Castillo ◽  
Lilian Davies ◽  
María E. Manzur ◽  
Silvia Antonia Brandán
Keyword(s):  
Dft Calculations ◽  
Raman Spectra ◽  
Ft Ir ◽  
Ft Raman
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