Infrared and Raman spectroscopic analysis and theoretical computation of the first hyperpolarizability of a monoarylated anthraquinone, 1-(4-methoxyphenyl)-4-methylanthraquinone

Joseph, Tomy; Varghese, Hema Tresa; Panicker, C. Yohannan; Thiemann, Thies; Viswanathan, K.; Alsenoy, C. Van

doi:10.1016/j.molstruc.2011.07.060

Cited by 14 publications

(7 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The calculated first hyperpolarizability of the title compound is 0.55×10 -30 e.s.u, which is comparable with the reported values of similar derivatives [12,23,24,56] and which is 4.23 times that of the standard NLO material urea (0.13×10 -30 e.s.u) [57].…”

Section: Nonlinear Optical Propertiessupporting

confidence: 86%

Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis[(E)-anthranyl-9-acrylic]anhydride based on density functional theory calculations

Mary

Panicker²,

Thiemann

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

Self Cite

View full text Add to dashboard Cite

Section: Nonlinear Optical Propertiessupporting

confidence: 86%

Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis[(E)-anthranyl-9-acrylic]anhydride based on density functional theory calculations

Mary

Panicker²,

Thiemann

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

Self Cite

View full text Add to dashboard Cite

“…Experimentally these vibrations are observed at 1674, 1609 cm -1 (IR) and 1671, 1609 cm -1 (Raman). Joseph et al [36] reported C=O stretching vibrations at 1669, 1600 cm -1 in the IR spectrum for 1-(4-methoxyphenyl)-4-methylanthraquinone. The in-plane δC=O and outof-plane γC=O deformation bands were also identified and assigned ( …”

Section: Ir and Raman Spectramentioning

confidence: 99%

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

Renjith¹,

Mary

Varghese

et al. 2015

Journal of Physics and Chemistry of Solids

Self Cite

View full text Add to dashboard Cite

“…As can be observed, the band positions and intensities observed in the vibrational spectra indicate a good correlation with those obtained from the DFT B3LYP 6-311G(d,p) calculations. Additionally, the RS and FT-IR results of SF-11 show similarities to the spectral patterns of aniline, 46,47 piperidine, 48,49 derivatives of carbothioamide, 50 thiazole, 42 and anthraquinone, 51 anilinium sulfate, 52 benzene and monosubstituted benzenes, 53,54 and thioamides. 55 Table 1 contains the vibrational assignments for the most pronounced bands.…”

Section: ■ Results and Discussionmentioning

confidence: 71%

Characterization of the Brain Penetrant Neuropeptide Y Y2 Receptor Antagonist SF-11

Domin

Piergies

Pięta

et al. 2019

ACS Chem. Neurosci.

View full text Add to dashboard Cite

This paper discusses the biological and three-dimensional molecular structure of the novel, nonpeptide Y2R antagonist, SF-11 [N-(4-ethoxyphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinecarbothioamide]. Pharmacokinetic studies in a rat model indicated that, following intraperitoneal dosing, SF-11 crossed the blood–brain barrier and was able to penetrate the brain, making it a suitable tool for behavioral studies. We showed for the first time that SF-11 decreased the immobility time in the forced swim test (FST) after acute peripheral administration (10 and 20 mg/kg), indicating that it has antidepressant potential. Inhibitors of the mitogen-activated protein kinase/extracellular signal regulated kinase (MAPK/ERK) and phosphatidylinositol 3-kinase (PI3K) signaling pathways blocked the anti-immobility effect of SF-11, suggesting that these pathways are involved in the antidepressant-like activity of SF-11 in the FST. The results of locomotor activity of rats indicate that the effects observed in the FST are specific and due to the antidepressant-like activity of SF-11. These findings provide further evidence for the antidepressant potential of Y2R antagonists. Also, the application of Fourier transform infrared absorption (FT–IR) and Raman spectroscopy (RS) methods combined with theoretical density functional theory (DFT) calculations allowed us to present the optimized spatial orientation of the investigated drug. Structural characterization of SF-11 based on vibrational spectroscopic data is of great importance and will aid in understanding its biological activity and pave the way for its development as a new antidepressant agent.

show abstract

Infrared and Raman spectroscopic analysis and theoretical computation of the first hyperpolarizability of a monoarylated anthraquinone, 1-(4-methoxyphenyl)-4-methylanthraquinone

Cited by 14 publications

References 31 publications

Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis[(E)-anthranyl-9-acrylic]anhydride based on density functional theory calculations

Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis[(E)-anthranyl-9-acrylic]anhydride based on density functional theory calculations

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

Characterization of the Brain Penetrant Neuropeptide Y Y2 Receptor Antagonist SF-11

Contact Info

Product

Resources

About