Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

Renjith, R.; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Thiemann, Thies; Anas, S.; Al‐Saadi, Abdulaziz A.

doi:10.1016/j.jpcs.2015.07.024

Cited by 22 publications

(5 citation statements)

References 70 publications

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“…Bands at 1504 and 1596 cm −1 were attributed to the C=C stretching and at 1571 cm −1 to the carbonyl bond stretching. The above assignments are in good agreement with the literature values [32][33][34][35][36][37][38][39][40][41][42][43][44][45][46]. More detailed analysis of all specific functional groups presented in the tested samples is shown in Figure 3.…”

Section: Characterization Of Solvent Dyes and Quercetin Powderssupporting

confidence: 89%

Novel Hybrid Polymer Composites Based on Anthraquinone and Eco-Friendly Dyes with Potential for Use in Intelligent Packaging Materials

Masek

Plota

Chrzastowska

et al. 2021

IJMS

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This study aimed to present the influence of bio-based and anthraquinone dyes and their combinations on the optical properties of ethylene-propylene (EPM) composites after thermo-oxidative and climatic aging. Therefore, the chosen polymer was filled with a natural, plant-origin flavonoid—quercetin, and with two commercial anthraquinone dyes (C.I. Solvent Yellow 163 and C.I. Solvent Red 207). The manufactured polymer composites were subjected to accelerated aging tests: weathering and thermo-oxidation, respectively. Examination of the materials’ properties indicated that the combination of synthetic and natural dyes can result in better resistance to oxidizing agents and higher thermal stability of ethylene-propylene products. Moreover, color change of quercetin-containing samples due to exposure to simulated atmospheric conditions could be a promising solution for use as aging indicators in intelligent packaging materials that will inform about the ongoing degradation process. Another interesting finding is that these samples exhibited good fungistatic activity against Candida albicans yeast and Aspergillus niger mold. Overall, this novel solution based on hybrid polymer composites containing natural and commercial dyes is a more environmentally friendly alternative to traditional materials used in the plastic packaging industry with better and more desirable properties.

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Section: Characterization Of Solvent Dyes and Quercetin Powderssupporting

confidence: 89%

Novel Hybrid Polymer Composites Based on Anthraquinone and Eco-Friendly Dyes with Potential for Use in Intelligent Packaging Materials

Masek

Plota

Chrzastowska

et al. 2021

IJMS

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“…To further confirm the formation of the Meisenheimer complex, FTIR spectra of TNT at pH 7.0 and 13.0 were measured (Figure S8). Compared with spectra of TNT at pH 7.0, a new peak around 1400 cm –1 attributed to the in-plane bending vibration of −OH was observed at the strong alkaline condition, suggesting the formation of the Meisenheimer complex between TNT and the −OH group. Then, the photoluminescence decays were examined to verify whether the Meisenheimer complex formed between TNT and MoO x QDs or not.…”

Section: Resultsmentioning

confidence: 93%

Highly Photoluminescent Molybdenum Oxide Quantum Dots: One-Pot Synthesis and Application in 2,4,6-Trinitrotoluene Determination

Xiao¹,

Zhao²,

et al. 2016

ACS Appl. Mater. Interfaces

118

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As a well-studied transition-metal semiconductor material, MoOx has a wider band gap than molybdenum disulfide (MoS2), and its property varies dramatically for the existence of several different allotropes and suboxide phases of molybdenum oxides (MoOx, x < 3). In this manuscript, a one-pot method possessing the advantages of one pot, easily prepared, rapid, and environmentally friendly, has been developed for facile synthesis of highly photoluminescent MoOx quantum dots (MoOx QDs), in which commercial molybdenum disulfide (MoS2) powder and hydrogen peroxide (H2O2) are employed as the precursor and oxidant, respectively. The obtained MoOx QDs can be further utilized as an efficient photoluminescent probe, and a new turn-off sensor is developed for 2,4,6-trinitrotoluene (TNT) determination based on the fact that the photoluminescence of MoOx QDs can be quenched by the Meisenheimer complexes formed in the strong alkali solution through the inner filter effect (IFE). Under the optimal conditions, the decreased photoluminescence of MoOx QDs shows a good linear relationship to the concentration of TNT ranging from 0.5 to 240.0 μM, and the limit of detection was 0.12 μM (3σ/k). With the present turn-off sensor, TNT in river water samples can be rapidly and selectively detected without tedious sample pretreatment processes.

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“…For 8HQ5SA, the bending modes (in-plane and out-of-plane) of the OH is assigned at 1400 cm -1 and at 671 cm -1 theoretically with PEDs 39 and 84%, which are expected in the ranges 1400 ± 40 cm -1 and 650 ± [51][52][53]. The reported values of C-O stretching and OH out-of-plane deformations are respectively, 1257 cm -1 and 665 cm -1 (DFT), 653 cm -1 (IR), 667 cm -1 (Raman) [54].…”

Section: Ir and Raman Spectramentioning

confidence: 78%

Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations

Sureshkumar¹,

Mary

Panicker

et al. 2017

Journal of Molecular Structure

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Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

Cited by 22 publications

References 70 publications

Novel Hybrid Polymer Composites Based on Anthraquinone and Eco-Friendly Dyes with Potential for Use in Intelligent Packaging Materials

Novel Hybrid Polymer Composites Based on Anthraquinone and Eco-Friendly Dyes with Potential for Use in Intelligent Packaging Materials

Highly Photoluminescent Molybdenum Oxide Quantum Dots: One-Pot Synthesis and Application in 2,4,6-Trinitrotoluene Determination

Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations

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