2016
DOI: 10.1016/j.saa.2016.04.041
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Conformational study of neutral histamine monomer and their vibrational spectra

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Cited by 26 publications
(12 citation statements)
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“…The best results for the bonito samples and the combined bonito and tuna samples were obtained with model M2, achieving R v 2 of 0.722 and 0.786, respectively. As expected, the best predictive capabilities were obtained for the M2 model, since it is based on spectral regions containing vibrational modes of medium and strong intensity of the histamine molecule, i.e., the 1255-1324 cm −1 and 1480-1570 cm −1 regions, as previously reported [22,36,39,41]. Less acceptable predictive capabilities are determined for the M3 and M4 models based on a fewer individual strong vibrational bands of the histamine molecule, indicating that weaker vibrational bands present in a broader spectral range contain information that contributes significantly to the overall quality of the PLSR model.…”
Section: Plsr Modelssupporting
confidence: 80%
“…The best results for the bonito samples and the combined bonito and tuna samples were obtained with model M2, achieving R v 2 of 0.722 and 0.786, respectively. As expected, the best predictive capabilities were obtained for the M2 model, since it is based on spectral regions containing vibrational modes of medium and strong intensity of the histamine molecule, i.e., the 1255-1324 cm −1 and 1480-1570 cm −1 regions, as previously reported [22,36,39,41]. Less acceptable predictive capabilities are determined for the M3 and M4 models based on a fewer individual strong vibrational bands of the histamine molecule, indicating that weaker vibrational bands present in a broader spectral range contain information that contributes significantly to the overall quality of the PLSR model.…”
Section: Plsr Modelssupporting
confidence: 80%
“…Owing to such a special molecular structural evolution, the conformation of histamine is very sensitive to the surrounding environment and causes the torsion of the side chain relative to the imidazole ring to a certain degree ( Figure 1 D). ( Mukherjee and Yadav, 2016 ; Vianello and Mavri, 2012 ). Hence, several different conformations could coexist in hydrophil histamine powders.…”
Section: Resultsmentioning
confidence: 99%
“…In the dication form, the three nitrogen atoms all accept protons. The pH value can effectively affect the side-chain internal torsion so as to form stable ionic forms (different torsional isomers) that determine biological activities ( Kodchakorn et al., 2019 ; Mukherjee and Yadav, 2016 ; Vianello and Mavri, 2012 ). Figure 2 A depicts the low-frequency Raman spectra of the aqueous histamine solutions with three typical pH values of 11, 7.4, and 4.…”
Section: Resultsmentioning
confidence: 99%
“…The peaks at 1635 cm −1 and 1113 cm −1 are attributed to the stretching vibration of the carbonyl group (C=O) and amide groups due to the reaction of carboxyl groups on the surface of MNPs with amino groups on l -cysteine, which introduces sulfhydryl groups from l -cysteine to MNPs for adsorption of AuNPs [30]. The presence of histamine can be demonstrated by the C=C stretching mode and C−H out-of-plane bending mode, which appeared at 1456.9 cm −1 and 875 cm −1 , respectively [31,32]. The peaks at 2853 cm −1 and 2923 cm −1 are from the stretching vibration of −CH 2 − and −CH 3 .…”
Section: Resultsmentioning
confidence: 99%