Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one

Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana

doi:10.1107/s205698901800974x

Cited by 6 publications

(2 citation statements)

References 15 publications

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“…The stronger absorption at 275–295 nm belonged to the π-π* transition and indicated that there was a phenolic constitute or nucleic acid in the samples [ 16 ]. The stronger absorption at 310–330 nm can be assigned to the n-π* transition or the electron delocalization due to the C–O–C coupling [ 17 ].…”

Section: Resultsmentioning

confidence: 99%

Phytochemical characterization, antioxidant potential, and health risk assessment of Radix Oryzae Glutinosae

Liu¹,

Tang²,

Ren³

et al. 2022

Journal of Food and Drug Analysis

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Radix Oryzae Glutinosae (ROG) has been used as a traditional anhidrotic agent in China. Ten samples were systematically assessed based on four aspects of their chemical profiles and antioxidant activity. The former was achieved using ultraviolet-visible spectra (UV), infrared absorption spectra (IR), proton nuclear magnetic resonance spectroscopy ( 1 H NMR), and inductively coupled plasma-mass spectrometry (ICP-MS) fingerprints, and antioxidant activity was assessed using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay, the 2,2′-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS) assay, and the ferric reducing antioxidant power (FRAP) assay. The presence of amino acids, flavonoids, organic acids, and sugars was indicated in all samples. A hierarchical cluster analysis and a canonical discriminant analysis were introduced to interpret the results of the multi-pattern fingerprint. The results of the correlations between the individual elements and between each element with the different types of metabolites displayed many interesting patterns. In vitro studies revealed that all samples displayed antioxidant activities. A pollution status examination and heavy metal evaluation of the ROG samples were performed. The human health risk assessment associated with the intake of potentially harmful elements in herbs was calculated in terms of the estimated daily intake, the target hazard quotient, and the lifetime cancer risk. The Nemerow multi-factor pollution index results suggested that all samples belonged to the serious pollution level. The results of the noncarcinogenic risk assessment study indicated that the pattern of consumption of this herb in China seems to suggest an excessive health hazard associated with some toxic elements studied. The carcinogenic risk results suggested that there is a potential risk due to As, Cr, Cd, and Ni for consumers, and these may contribute to the population cancer burden through ROG ingestion. This study provides insights into the organic medicinal constituents and the trace elements of the herb. The results will enable this herb to be used more effectively and safely.

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Section: Resultsmentioning

confidence: 99%

Phytochemical characterization, antioxidant potential, and health risk assessment of Radix Oryzae Glutinosae

Liu¹,

Tang²,

Ren³

et al. 2022

Journal of Food and Drug Analysis

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“…Compound 1b exists in the stereoselective s-trans conformation with respect to the C8=C9 [1.324(2) Å] and C7=O7 [1.217(18) Å] double bonds. Apparently, this conformation is the predominant form in crystallized chalcone derivatives molecules with low planarity[39][40][41][42].…”

mentioning

confidence: 94%

Synthesis, Crystal Structures, and Molecular Properties of Three Nitro-Substituted Chalcones

et al. 2021

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Three functionalized chalcones containing combinations of nitro functional groups have been synthesized via Claisen-Schmidt condensation between 2-nitroacetophenone and nitrobenzaldehyde, and the crystal structures obtained ((E)-1,3-bis(2-nitrophenyl)prop-2-en-1-one, 1a, (E)-1-(2-nitrophenyl)-3-(3-nitrophenyl)prop-2-en-1-one, 1b and (E)-1-(2-nitrophenyl)-3-(4-nitrophenyl)prop-2-en-1-one, 1c), C15H10N2O5, are reported. Compounds 1a and 1c crystallized in the triclinic centrosymmetric space group P1¯, whereas compound 1b crystallized in the orthorhombic space group Pbca. The X-ray analysis reveals that structures 1a and 1b exhibits s-trans conformation, whereas structure 1c exists in s-cis conformation, concerning the olefinic double bonds. In addition, the results show that the position of the nitro substituent attached to the aromatic B-ring has a direct effect on the molecular coplanarity of these compounds. The Hirshfeld surface analysis suggests that the non-covalent π-π stacking interactions are the most important contributors for the crystal packing of 1a and 1b. In 1c, the crystal packing is mainly stabilized by weak intermolecular C―H···O interactions due to the planar nature of the molecule.

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Cis and trans isomers of 1-(5-bromothiophen-2-yl)-3-(10-chloroanthracen-9-yl)prop-2-en-1-one: Synthesis and characterization

Naresh

Pramodh

Naveen

et al. 2021

Journal of Molecular Structure

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Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (E)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one

Cited by 6 publications

References 15 publications

Phytochemical characterization, antioxidant potential, and health risk assessment of Radix Oryzae Glutinosae

Phytochemical characterization, antioxidant potential, and health risk assessment of Radix Oryzae Glutinosae

Synthesis, Crystal Structures, and Molecular Properties of Three Nitro-Substituted Chalcones

Cis and trans isomers of 1-(5-bromothiophen-2-yl)-3-(10-chloroanthracen-9-yl)prop-2-en-1-one: Synthesis and characterization

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