Experimental and theoretical investigations (FTIR, UV-VIS spectroscopy, HOMO-LUMO, NLO and MEP analysis) of aminothiophenol isomers

Kalaycı, Taner; Kınaytürk, Neslihan Kaya; Tunalı, Belgin

doi:10.4314/bcse.v35i3.11

Cited by 12 publications

(3 citation statements)

References 39 publications

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“…The absorbance graphs show that the UV wavelength range B contact lens has low absorbance, while A contact lens also has high absorbance. The low absorbance is interpreted as the beginning of light transmission, that is, the transition of the valence electrons of the incident photon to the conduction band [38]. Considering all these results, we can say that A contact lens has less UV transmittance and higher absorbance value than B contact lens, and A lens can provide better protection for our eye health.…”

Section: Discussionmentioning

confidence: 93%

Farklı Türden Kontak Lenslerin Ultraviyole Işık Geçirgenliğinin Ölçülmesi

BARLIK,

ATEŞ

2023

Turkish Journal of Science and Technology

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Scientific evidence showing the harmful effects of ultraviolet radiation on different ocular tissues has led manufacturers to incorporate UV-blocking monomers into contact lenses. In this study, the spectral and optical properties of contact lenses were analyzed in the ultraviolet and visible light wavelength ranges using the Jasco V-730 UV/VIS spectrophotometer device. The results obtained showed that in the lens samples examined, the light transmittance in the wavelength (550nm) range to which the human eye is most sensitive is over 70% and the maximum value is 72.98% in B contact lenses. The largest cutting edge wavelength value was obtained in the A contact lens as 376 nm. At 550 nm, the absorption spectra were found to be below 0.12. In terms of visual quality, visible light transmittance is expected to be high and ultraviolet light transmittance is expected to be minimal. The degree of damage caused by the amount of ultraviolet light absorption increases. Among the contact lenses with and without ultraviolet-protected monomers, lens A did not transmit the UV-B wavelength region, while lens B transmitted UV-A and UV-B wavelengths. This result showed that the protection of lens A was higher. It is seen that the UV transmittance taken with the phocometer is 45% UV in A lens and 91% UV in B lens. The results obtained by UV/VIS spectrophotometer and phocometer supported each other. The results will contribute to the literature by revealing the importance of UV-protected monomer-containing contact lenses in vision equipment, and by enabling the development and selection of full-protection contact lenses.

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Section: Discussionmentioning

confidence: 93%

Farklı Türden Kontak Lenslerin Ultraviyole Işık Geçirgenliğinin Ölçülmesi

BARLIK,

ATEŞ

2023

Turkish Journal of Science and Technology

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“…The absorption peak in the range of 1240–1413 cm −1 belongs to stretching bonds of N‐H bonds and C–N (Amide type III). Also, peaks in the range 1000 cm −1 are related to C–H bonds (Kalaycı et al., 2021 ), and the peaks around 756 cm −1 were attributed to stretching vibrations of C–C groups (Wu et al., 2018 ). The FT‐IR spectra of the control SPI film were almost identical to those of BSO‐loaded SPI films, and no change was observed in the functional groups.…”

Section: Resultsmentioning

confidence: 99%

Soy protein isolate film activated by black seed oil nanoemulsion as a novel packaging for shelf‐life extension of bulk bread

Hosseiniyeh,

Mohtarami,

Almasi

et al. 2023

Food Science & Nutrition

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This paper investigates the addition of lecithin‐emulsified black seed oil (BSO) nanoemulsions (LNEO) and whey protein isolate‐stabilized Pickering emulsions (WPEO) to soy protein isolate (SPI)‐based films and their effect on improving the shelf life of bread slices. The half‐life of antioxidant activity, water vapor permeability, biodegradability, density, color difference, and film thickness significantly increased (p < .05) when BSO was added. However, the incorporation of BSO significantly reduced the solubility, tensile strength, strain to break (except for WPEO), and transparency (p < .05) of the samples. The interaction between SPI film and BSO‐loaded nanocarriers, as well as the morphological properties of films, was evaluated using FT‐IR and FE‐SEM. SPI‐based films containing LNEO‐5% and WPEO‐5% were selected based on their mechanical and barrier properties. The effect of films on the shelf life of bread slices was investigated for 17 days of storage. LNEO samples obtained the most acceptable results in the bread in terms of sensory evaluation and color properties. According to the results, bread slices packed in SPI film containing LNEO‐5% showed no signs of mold growth until the 17th day of storage, whereas the sample packed in a low‐density polyethylene bag began to corrupt on the 6th day. This study highlights the potential of BSO‐loaded SPI films as a novel active packaging for the bakery industry.

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“…Frontier molecular orbitals are mostly described by the highest energy orbital that is still occupied by electrons (HOMO) and the lowest energy orbital that has enough space to accept electrons (LUMO) [37]. Figure 6 illustrates that the HOMO orbital of the MO_H optimized structure is completely localized on the azo group of the dye, indicating that the excitation takes place from 𝑚𝑚 and 𝜋𝜋 orbitals of nitrogen atoms.…”

Section: Frontier Molecular Orbitals Of the Adsorbatesmentioning

confidence: 99%

Electronic band structure of Bi5O7NO3 and its methyl orange removal mechanism

Abdullah

2022

Eur J Chem

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A detailed study of the electronic band structures and partial density of states of Bi5O7NO3 with different exchange correlation functionals was performed using the generalized gradient approximation. Bi5O7NO3 has two direct energy gap transitions of 2.84 and 3.66 eV at the experimental lattice parameters, revealing a semiconductor characteristic of a crystal. Molecular Mechanics; however, tends to underestimate the band-gap energies with indirect characters. This deviation is due to the slight decrease in the cell edges and the significant increase in the β angle during the optimization process. The mechanism of removal of methyl orange and its derivatives by the Bi5O7NO3 unit cell, which has the same experimental UV-Vis band gap, was later investigated through a DMol3 module. To do that, frontier molecular orbitals, global reactivity parameters, and electrostatic potential surface maps were evaluated. The high values of the electrophilicity indexes hint that the dyes are more reactive and can work as good electrophile species. A molecular packing of dye molecules and the ionic natural of Bi5O7NO3 generate a synergistic effect between π-π stacking, anion-π stacking, cation-π stacking and electrostatic interactions, which are thought to be the driven forces during dye removal.

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Experimental and theoretical investigations (FTIR, UV-VIS spectroscopy, HOMO-LUMO, NLO and MEP analysis) of aminothiophenol isomers

Cited by 12 publications

References 39 publications

Farklı Türden Kontak Lenslerin Ultraviyole Işık Geçirgenliğinin Ölçülmesi

Farklı Türden Kontak Lenslerin Ultraviyole Işık Geçirgenliğinin Ölçülmesi

Soy protein isolate film activated by black seed oil nanoemulsion as a novel packaging for shelf‐life extension of bulk bread

Electronic band structure of Bi5O7NO3 and its methyl orange removal mechanism

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