Molecular structure, FT-IR, FT-Raman, NBO, HOMO and LUMO, MEP, NLO and molecular docking study of 2-[(E)-2-(2-bromophenyl)ethenyl]quinoline-6-carboxylic acid

Ulahannan, Rajeev T.; Panicker, C. Yohannan; Varghese, Hema Tresa; Musioł, Robert; Jampílek, Josef; Alsenoy, C. Van; War, Javeed Ahmad; Srivastava, S. K.

doi:10.1016/j.saa.2015.06.077

Cited by 37 publications

(15 citation statements)

References 61 publications

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“…Signals at 890 and 1220 cm −1 (Figure 3c), characteristic of glucopyranose ring and vibrations in the plane of bending γ(OH...O) of CT [50] are not observed. This effect is associated to a decreased signal of AS at 653 and 1202 cm −1 , attributed to the C-C and C-O.…”

Section: Raman Spectroscopymentioning

confidence: 97%

Modified Starch-Chitosan Edible Films: Physicochemical and Mechanical Characterization

et al. 2017

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Starch and chitosan are widely used for preparation of edible films that are of great interest in food preservation. This work was aimed to analyze the relationship between structural and physical properties of edible films based on a mixture of chitosan and modified starches. In addition, films were tested for antimicrobial activity against Listeria innocua. Films were prepared by the casting method using chitosan (CT), waxy (WS), oxidized (OS) and acetylated (AS) corn starches and their mixtures. The CT-starches films showed improved barrier and mechanical properties as compared with those made from individual components, CT-OS film presented the lowest thickness (74 ± 7 µm), water content (11.53% ± 0.85%, w/w), solubility (26.77% ± 1.40%, w/v) and water vapor permeability ((1.18 ± 0.48) × 10−9 g·s−1·m−1·Pa−1). This film showed low hardness (2.30 ± 0.19 MPa), low surface roughness (Rq = 3.20 ± 0.41 nm) and was the most elastic (Young’s modulus = 0.11 ± 0.06 GPa). In addition, films made from CT-starches mixtures reduced CT antimicrobial activity against L. innocua, depending on the type of modified starch. This was attributed to interactions between acetyl groups of AS with the carbonyl and amino groups of CT, leaving CT with less positive charge. Interaction of the pyranose ring of OS with CT led to increased OH groups that upon interaction with amino groups, decreased the positive charge of CT, and this effect is responsible for the reduced antimicrobial activity. It was found that the type of starch modification influenced interactions with chitosan, leading to different films properties.

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Section: Raman Spectroscopymentioning

confidence: 97%

Modified Starch-Chitosan Edible Films: Physicochemical and Mechanical Characterization

et al. 2017

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“…This can be due to the presence of -OH and -NH groups of the iminodisuccinic acid that interact with the chitosan groups on the adsorbent surface. Moreover, the carboxylic group present in iminodisuccinic acid is characterized by the C=O stretching vibrations, which are in the region of 1600–1700 cm −1 [ 28 ]. Thus, the amide peaks coincide with the C=O ones with the wavenumber at 1640 cm −1 .…”

Section: Resultsmentioning

confidence: 99%

Zeolite NaP1 Functionalization for the Sorption of Metal Complexes with Biodegradable N-(1,2-dicarboxyethyl)-D,L-aspartic Acid

Kołodyńska

Franus

et al. 2021

Materials

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The possibility of application of chitosan-modified zeolite as sorbent for Cu(II), Zn(II), Mn(II), and Fe(III) ions and their mixtures in the presence of N-(1,2-dicarboxyethyl)-D,L-aspartic acid, IDHA) under different experimental conditions were investigated. Chitosan-modified zeolite belongs to the group of biodegradable complexing agents used in fertilizer production. NaP1CS as a carrier forms a barrier to the spontaneous release of the fertilizer into soil. The obtained materials were characterized by Fourier transform infrared spectroscopy (FTIR); surface area determination (ASAP); scanning electron microscopy (SEM-EDS); X-ray fluorescence (XRF); X-ray diffraction (XRD); and carbon, hydrogen, and nitrogen (CHN), as well as thermogravimetric (TGA) methods. The concentrations of Cu(II), Zn(II), Mn(II), and Fe(III) complexes with IDHA varied from 5–20 mg/dm3 for Cu(II), 10–40 mg/dm3 for Fe(III), 20–80 mg/dm3 for Mn(II), and 10–40 mg/dm3 for Zn(II), respectively; pH value (3–6), time (1–120 min), and temperature (293–333 K) on the sorption efficiency were tested. The Langmuir, Freundlich, Dubinin–Radushkevich, and Temkin adsorption models were applied to describe experimental data. The pH 5 proved to be appropriate for adsorption. The pseudo-second order and Langmuir models were consistent with the experimental data. The thermodynamic parameters indicate that adsorption is spontaneous and endothermic. The highest desorption percentage was achieved using the HCl solution, therefore, proving that method can be used to design slow-release fertilizers.

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“…For the title compound, the ring breathing modes are assigned at 999 cm -1 for mono substituted benzene ring and at 1040 cm -1 for tri-substituted benzene ring theoretically as expected. The ring breathing mode of tri-substituted phenyl ring is reported at 1098 cm -1 in the IR and 1104 cm -1 (DFT) by Ulahannan et al [61]. Most of the vibrational modes are not pure but contains significant contributions from other modes also.…”

Section: Accepted Manuscriptmentioning

confidence: 95%

Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

Menon

Foto

Mary

et al. 2017

Journal of Molecular Structure

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Molecular structure, FT-IR, FT-Raman, NBO, HOMO and LUMO, MEP, NLO and molecular docking study of 2-[(E)-2-(2-bromophenyl)ethenyl]quinoline-6-carboxylic acid

Cited by 37 publications

References 61 publications

Modified Starch-Chitosan Edible Films: Physicochemical and Mechanical Characterization

Modified Starch-Chitosan Edible Films: Physicochemical and Mechanical Characterization

Zeolite NaP1 Functionalization for the Sorption of Metal Complexes with Biodegradable N-(1,2-dicarboxyethyl)-D,L-aspartic Acid

Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

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