A periodic DFT study of IR spectra of amino acids: An approach toward a better understanding of the N-H and O-H stretching regions

Boukaoud, Abdelali; Chiba, Younes; Sebbar, Djamel

doi:10.1016/j.vibspec.2021.103280

Cited by 25 publications

(14 citation statements)

References 44 publications

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“…Intermolecular hydrogen bonding is important for maintaining protein structure stability 14 . The band at 2876 cm −1 is related to the NH 2 vibrations of l ‐histidine 33 . The characteristic peaks of these amino acids may be produced by hydrolysis between papain and whey protein.…”

Section: Resultsmentioning

confidence: 99%

“…The increase in the band intensity from 3700 to 3000 cm −1 suggested hydrogen bond interaction among pectin, amino acid, and EGCG 34 . In addition, a new band appeared around 1632 cm −1 , indicating interaction between pectin, l ‐histidine, and functional groups of the CH matrix, possibly electrostatic interactions 33‐35 …”

Section: Resultsmentioning

confidence: 99%

“…The compatibility of film components determines the microstructure of the film. 32,33 Surface and cross-sectional SEM images of pectin-and chitosan-CA prepared with different contents of CA are presented in Figs 3 and 4, respectively. As shown in Fig.…”

Section: Film Microstructurementioning

confidence: 99%

“…In the CA spectrum, the peak around 3272 cm −1 is assigned to the O H stretching vibration of DLserine and L-tyrosine. 33 Intermolecular hydrogen bonding is important for maintaining protein structure stability. 14 The band at 2876 cm −1 is related to the NH 2 vibrations of L-histidine.…”

Section: Molecular Interactionmentioning

confidence: 99%

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Development and characterization of pectin and chitosan films incorporated with a new cross‐linking agent

Liu

Liang

et al. 2023

J Sci Food Agric

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BACKGROUND In this study, a new crosslinking agent (CA) containing whey protein, papin, glycerin, and epigallocatechin gallate (EGCG), was prepared. The effects of CA content (0, 10, 20, 30, and 40%, v/v) on food packaging properties, crystallinity, microstructure, and antioxidant properties of pectin‐CA and chitosan‐CA composite films were analyzed. The results of this research offer a theoretical basis for engineering improved films for food packing. RESULTS Pectin‐CA (30%) and chitosan‐CA (40%) composite films showed the best light transmission, water retention, breathability, plasticity, and antioxidant activity. Scanning electron microscopy revealed that these composite films exhibited a uniform and homogeneous structure without obvious pores. Fourier‐transform infrared spectroscopy (FTIR) and X‐ray diffraction (XRD) indicated that the amino acids and EGCG in CA were bonded to the film substrate (pectin/chitosan) via electrostatic interactions, hydrogen bonding, and covalent bonding, which led to an improvement in the film's properties. CONCLUSION The CA has broad application prospects in food packaging as a cross‐linking agent and antioxidant. © 2022 Society of Chemical Industry.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Film Microstructurementioning

confidence: 99%

Section: Molecular Interactionmentioning

confidence: 99%

See 2 more Smart Citations

Development and characterization of pectin and chitosan films incorporated with a new cross‐linking agent

Liu

Liang

et al. 2023

J Sci Food Agric

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“…Figure S3 demonstrates the ATR-FTIR spectrum of as-synthesized O-CDs. The spectrum shows a broad absorption band at 3150-3450 cm −1 , attributed to a stretching band of N-H/O-H [44]; and at 2955 and 2856 cm −1 , indicating asymmetric and symmetric C-H functional groups present over the O-CDs [45]. The functional groups, such as C-OH and C-O-C, were confirmed by absorption band formation at 1295 and 1050-1100 cm −1 , respectively.…”

Section: Structural and Optical Properties Of The Hydrophilic O-cdsmentioning

confidence: 99%

Highly Fluorescent Carbon Dots as a Potential Fluorescence Probe for Selective Sensing of Ferric Ions in Aqueous Solution

et al. 2021

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This paper’s emphasis is on the development of a fluorescent chemosensor for Fe3+ ions in an aqueous solution, using hydrophilic carbon dots (O-CDs). A simple, cost-effective, and environmentally friendly one-step hydrothermal synthesis method was used to synthesize fluorescent hydrophilic O-CDs from Oxalis corniculata (Family; Oxalidaceae). The graphitic structure and size distribution of the O-CDs was verified by X-ray diffraction, Raman spectroscopy, and high-resolution transmission electron microscopy studies. The resulting O-CDs had a near-spherical shape and an adequate degree of graphitization at the core, with an average diameter of 4.5 nm. X-ray photoelectron and Fourier transform infrared spectroscopy methods revealed the presence of several hydrophilic groups (carbonyl, amine, carboxyl, and hydroxyl, along with nitrogen and oxygen-rich molecules) on the surface of O-CDs. The synthesized hydrophilic O-CDs with excitation wavelength-dependent emission fluorescence characteristics showed a high quantum yield of about 20%. Besides this, the hydrophilic O-CDs exhibited a bright and controllable fluorescence with prolonged stability and photo-stability. These fluorescent hydrophilic O-CDs were used as a nanoprobe for the fluorometric identification of Fe3+ ions in an aqueous solution, with high sensitivity and selectivity. By quenching the blue emission fluorescence of this nanosensor, a highly sensitive Fe3+ ion in the range of 10–50 µM with a minimum detection limit of 0.73 µM was achieved. In addition, the developed nanosensor can be used to sense intracellular Fe3+ ions with high biocompatibility and cellular imaging capacity, and it has a lot of potential in biomedical applications.

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Designing Highly Conductive Sodium‐Based Metal Hydride Nanocomposites: Interplay between Hydride and Oxide Properties

Kort

Corstius

Gulino

et al. 2023

Adv Funct Materials

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Sodium‐based complex hydrides have recently gained interest as electrolytes for all‐solid‐state batteries due to their light weight and high electrochemical stability. Although their room temperature conductivities are not sufficiently high for battery application, nanocomposite formation with metal oxides has emerged as a promising approach to enhance the ionic conductivity of complex hydrides. This enhancement is generally attributed to the formation of a space charge layer at the hydride‐oxide interface. However, in this study it is found that the conductivity enhancement results from interface reactions between the metal hydride and the oxide. Highly conductive NaBH4 and NaNH2/oxide nanocomposites are obtained by optimizing the interface reaction, which strongly depends on the interplay between the surface chemistry of the oxides and the reactivity of the metal hydrides. Notably, for NaBH4, the best performance is obtained with Al2O3, while NaNH2/SiO2 is the most conductive NaNH2/oxide nanocomposite with conductivities of, respectively, 4.7 × 10−5 and 2.1 × 10−5 S cm−1 at 80 °C. Detailed structural characterization reveals that this disparity originates from the formation of different tertiary interfacial compounds, and is not only a space charge effect. These results provide useful insights for the preparation of highly conductive nanocomposite electrolytes by optimizing interface interactions.

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A periodic DFT study of IR spectra of amino acids: An approach toward a better understanding of the N-H and O-H stretching regions

Cited by 25 publications

References 44 publications

Development and characterization of pectin and chitosan films incorporated with a new cross‐linking agent

Development and characterization of pectin and chitosan films incorporated with a new cross‐linking agent

Highly Fluorescent Carbon Dots as a Potential Fluorescence Probe for Selective Sensing of Ferric Ions in Aqueous Solution

Designing Highly Conductive Sodium‐Based Metal Hydride Nanocomposites: Interplay between Hydride and Oxide Properties

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