Vibrational and computational study on maltol (3-hydroxy-2-methyl-4h-pyran-4-one) polymorphism

Zborowski, Krzysztof; Gryboś, Ryszard; Proniewicz, Leonard M.

doi:10.1016/j.vibspec.2004.10.002

Cited by 10 publications

(6 citation statements)

References 22 publications

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“…In this study, we aimed to utilize Maltol's advantages as a naturally occurring antimicrobial, with a wide window of pH efficacy and water solubility, as a natural basis for conceiving highly efficient, consumer friendly preservative blends [34].…”

Section: Cationic Surfactants As Antimicrobial Catalystsmentioning

confidence: 99%

The Use of Catalytic Amounts of Selected Cationic Surfactants in the Design of New Synergistic Preservative Solutions

Salama¹,

Gliksberg²

2021

Cosmetics

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Preservation using combinations of antibacterial molecules has several advantages, such as reducing the level of usage and broadening their antimicrobial spectrum. More specifically, the use of quaternary ammonium surfactants (QAS)—which are profusely used in hair care products and some are known as efficient antimicrobial agents—is limited due to some potential cytotoxicity concerns. This study shows that the concentration of some widely used cosmetic preservatives can be decreased when combined with very small quantities of QAS, i.e., Polyquaternium-80 (P-80) and/or Didecyldimethylammonium chloride (DDAC). The antimicrobial activity of their mixtures was first evaluated by determining the minimum inhibitory concentration (MIC) before and after the addition of QAS. Following up on this finding and targeting an ultimate consumer friendly antimicrobial blend, yet with optimal safety, we chose to utilize the food-grade preservative Maltol as the main natural origin antimicrobial agent mixed with minimum concentrations of QAS to improve its moderate antimicrobial properties. The preservatives were tested for MIC values, challenge tests and synergy using the fractional inhibitory concentration index (FICI). The antimicrobial efficacy of Maltol was found to be synergistically improved by introducing catalytic amounts of P-80 and/or DDAC.

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Section: Cationic Surfactants As Antimicrobial Catalystsmentioning

confidence: 99%

The Use of Catalytic Amounts of Selected Cationic Surfactants in the Design of New Synergistic Preservative Solutions

Salama¹,

Gliksberg²

2021

Cosmetics

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“…132 Snehalatha et al, investigated the molecular structure of amaranth (E-123), a commonly used colouring agent of the food industry. 136 Peica et al used Raman spectroscopy to investigate the molecular structure of monosodium glutamate which is a commonly used avour enhancer in various food products. A medium intensity band in the Raman spectrum was identied as the symmetric stretching vibration of the SO 3 group.…”

Section: Raman Spectroscopy In Food Additive Analysismentioning

confidence: 99%

“…Maltol was characterized with its strong band related to the O-H stretching. 136 Peica et al used Raman spectroscopy to investigate the molecular structure of monosodium glutamate which is a commonly used avour enhancer in various food products. Strong Raman bands were explained by CH 2 stretching, COO À stretching, CH 2 deformation, completely ionized form, and COO À twisting.…”

Section: Raman Spectroscopy In Food Additive Analysismentioning

confidence: 99%

Dispersive and FT-Raman spectroscopic methods in food analysis

et al. 2015

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Raman spectroscopy is a powerful technique for molecular analysis of food samples. A fingerprint spectrum can be obtained for a target molecule by using Raman technology, as specific signals are obtained for chemical bonds in the target. In this way, food components, additives, processes and changes during shelf life, adulterations and numerous contaminants such as microorganisms, chemicals and toxins, can also be determined with or without the help of chemometric methods. The studies included in this review show that Raman spectroscopy has great potential for food analyses. In this review, we aim to bring together Raman studies on components, contaminants, raw materials, and adulterations of various food, and attempt to prepare a database of Raman bands obtained from food samples.

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“…Half-bandwidths of 50 cm −1 were used to take temperature broadening into account. Calculated frequencies were scaled by 0.9 factor [53]. The atomic charge is not a quantum chemical observable; therefore, there are many methods for dividing the total charge of a molecule into atomic charges, of which one of the most well-known and widely used is the APT (Atomic Polar Tensors) method [54].…”

Section: Dft Calculationsmentioning

confidence: 99%

Study of the Structure and Infrared Spectra of LiF, LiCl and LiBr Using Density Functional Theory (DFT)

Chruszcz-Lipska,

Szostak,

Zborowski

et al. 2023

Materials

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The paper presents a study of the crystal structure of anhydrous halides LiF, LiCl and LiBr using density functional theory. Models composed of 125 atoms were used for this study. The theoretical values of the lattice parameters and the distribution of charges in the crystals were determined. Using the assumed models at the level of theory DFT/B3LYP/6-31+g*, the theoretical infrared spectra of lithium halides (LiF, LiCl and LiBr) were calculated for the first time. Additionally, measurements of experimental far-infrared (FIR) spectra were performed for these salts. All the obtained theoretical values were compared with experimental data obtained by us and those available in the literature.

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Vibrational and computational study on maltol (3-hydroxy-2-methyl-4h-pyran-4-one) polymorphism

Cited by 10 publications

References 22 publications

The Use of Catalytic Amounts of Selected Cationic Surfactants in the Design of New Synergistic Preservative Solutions

The Use of Catalytic Amounts of Selected Cationic Surfactants in the Design of New Synergistic Preservative Solutions

Dispersive and FT-Raman spectroscopic methods in food analysis

Study of the Structure and Infrared Spectra of LiF, LiCl and LiBr Using Density Functional Theory (DFT)

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