scholarly journals Synthesis, characterization, structural exploration and quantum chemical calculations of (E)-8-(1-((4-aminobenzyl)imino)ethyl)-7-hydroxy-4-methyl-coumarin

2020 ◽  
Vol 37 (2) ◽  
pp. 484-492
Author(s):  
Chethan Prathap K. N ◽  
Niranjana S. V ◽  
Lokanath N. K
Keyword(s):  
Quantum Chemical ◽  
Visible Spectrum ◽  
Spectroscopic Characterization ◽  
Coumarin Derivative ◽  
The Novel ◽  
Monoclinic Crystal ◽  
Supramolecular Architectures ◽  
Biological Interest ◽  
Uv Visible ◽  
Quantum Chemical Dft Calculations

Coumarin derivatives are one of the very important compounds of high biological interest. A novel coumarin derivative (E)-8-(1-((4-aminobenzyl)imino)ethyl)-7-hydroxy-4-methyl-coumarin was synthesized using substituted acetyl coumarin and 4-aminobenzylamine. Following the detailed spectroscopic characterization, the structure of the compound was confirmed using XRD studies. The novel coumarin derivative crystallizes in monoclinic crystal system in P21/c space group and displays diverse intermolecular interactions. One-dimensional array along b-axis and R_2^2 (18) supramolecular architectures are”0 formed mediated by N24—H24…O1 and C17—H17…O10 hydrogen bonds respectively. Hirshfeld surface analysis quantified that H…H, C…H and O…H contacts are the major contributors to the crystal structure with a contribution of 42.9%, 32.7% and 20.1% of total interactions respectively. Further, structural optimization was carried out using quantum chemical DFT calculations that displayed high correlation with XRD structure. The electronic absorption spectrum from TDDFT calculations is matching well with the results of UV-visible spectrum.

Photoactive amphiphiles for the assembly of supramolecular architectures

2015 ◽  
Vol 185 ◽  
pp. 471-479 ◽  
Author(s):  
B. P. Jarman ◽  
F. Cucinotta
Keyword(s):  
Visible Spectrum ◽  
Solid Materials ◽  
Visible Absorption ◽  
Optical Components ◽  
Absorption And Emission ◽  
X Ray ◽  
Supramolecular Architectures ◽  
Uv Visible ◽  
Absorption And Emission Spectroscopy ◽  
Molecular Organisation

The presented study reports the use of photoactive templating structures for the design of porous frameworks with built-in optical functionalities. The materials have been synthesised and characterised using powder X-ray diffractometry, UV-visible absorption and emission spectroscopy. The latter shows that, by varying the relative amount of an amphiphilic chromophore in the micellar templates, it is possible to tune the light absorption and emission properties over the visible spectrum, by means of controlling the molecular organisation and the excitonic coupling of aggregated species. This enables versatile solid materials that can be used as optical components for light-harvesting and converting systems to be obtained .

Liquid-liquid extraction of succinate using a dicopper cryptate

2020 ◽  
Author(s):  
Riccardo Mobili ◽  
Sonia La Cognata ◽  
Francesca Merlo ◽  
Andrea Speltini ◽  
Massimo Boiocchi ◽  
...  
Keyword(s):  
Aqueous Phase ◽  
Visible Spectrum ◽  
Tca Cycle ◽  
Residual Concentration ◽  
Waste Products ◽  
Liquid Liquid Extraction ◽  
The Tca Cycle ◽  
Quantitative Extraction ◽  
Uv Visible

<div> <p>The extraction of the succinate dianion from a neutral aqueous solution into dichloromethane is obtained using a lipophilic cage-like dicopper(II) complex as the extractant. The quantitative extraction exploits the high affinity of the succinate anion for the cavity of the azacryptate. The anion is effectively transferred from the aqueous phase, buffered at pH 7 with HEPES, into dichloromethane. A 1:1 extractant:anion adduct is obtained. Extraction can be easily monitored by following changes in the UV-visible spectrum of the dicopper complex in dichloromethane, and by measuring the residual concentration of succinate in the aqueous phase by HPLC−UV. Considering i) the relevance of polycarboxylates in biochemistry, as e.g. normal intermediates of the TCA cycle, ii) the relevance of dicarboxylates in the environmental field, as e.g. waste products of industrial processes, and iii) the recently discovered role of succinate and other dicarboxylates in pathophysiological processes including cancer, our results open new perspectives for research in all contexts where selective recognition, trapping and extraction of polycarboxylates is required. </p> </div>

scholarly journals Synthesis and Bioassay of Novel Quinozolins

2019 ◽  
Vol 17 (72) ◽  
pp. 129-138
Author(s):  
Yasmine Kadom. Al-Majedy
Keyword(s):  
Twist Angle ◽  
Antimicrobial Properties ◽  
Heat Of Formation ◽  
Gram Negative Bacteria ◽  
The Novel ◽  
Gram Positive Bacteria ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

Novel Quinozolins were synthesized in a good yield through convert lacton to lactam and study the biological activity of the synthesized compounds. Quinozolins were characterized by elemental analysis, FT-IR and UV/visible spectra. The novel Quinozolins have been tested in vitro against (gram positive bacteria Staphylococcus aureus and against other gram negative bacteria, such as Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Proteus vulgaris; in order to assess their antimicrobial properties. Moreover, charge, bond length, bond angle, twist angle, heat of formation and steric energy were calculated by using of the ChemOffice program. The study indicates that these Quinozolins have high activity against tested bacteria. Based on the reported results, it may be concluded that the coumarin act as synthons for synthesis of new Quinozolins derivatives through the replacement of oxygen atom by nitrogen atom.

scholarly journals Liquid-liquid extraction of succinate using a dicopper cryptate

2020 ◽  
Author(s):  
Riccardo Mobili ◽  
Sonia La Cognata ◽  
Francesca Merlo ◽  
Andrea Speltini ◽  
Massimo Boiocchi ◽  
...  
Keyword(s):  
Aqueous Phase ◽  
Visible Spectrum ◽  
Tca Cycle ◽  
Residual Concentration ◽  
Waste Products ◽  
Liquid Liquid Extraction ◽  
The Tca Cycle ◽  
Quantitative Extraction ◽  
Uv Visible

<div> <p>The extraction of the succinate dianion from a neutral aqueous solution into dichloromethane is obtained using a lipophilic cage-like dicopper(II) complex as the extractant. The quantitative extraction exploits the high affinity of the succinate anion for the cavity of the azacryptate. The anion is effectively transferred from the aqueous phase, buffered at pH 7 with HEPES, into dichloromethane. A 1:1 extractant:anion adduct is obtained. Extraction can be easily monitored by following changes in the UV-visible spectrum of the dicopper complex in dichloromethane, and by measuring the residual concentration of succinate in the aqueous phase by HPLC−UV. Considering i) the relevance of polycarboxylates in biochemistry, as e.g. normal intermediates of the TCA cycle, ii) the relevance of dicarboxylates in the environmental field, as e.g. waste products of industrial processes, and iii) the recently discovered role of succinate and other dicarboxylates in pathophysiological processes including cancer, our results open new perspectives for research in all contexts where selective recognition, trapping and extraction of polycarboxylates is required. </p> </div>

Novel quinoxalinone-based push–pull chromophores with highly sensitive emission and absorption properties towards small structural modifications

2018 ◽  
Vol 20 (33) ◽  
pp. 21515-21527 ◽  
Author(s):  
T. I. Burganov ◽  
S. A. Katsyuba ◽  
S. M. Sharipova ◽  
A. A. Kalinin ◽  
A. Monari ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Photophysical Properties ◽  
Visible Spectrum ◽  
Absorption Properties ◽  
Chemical Methods ◽  
Structural Modifications ◽  
Quantum Chemical Methods ◽  
Highly Sensitive

The photophysical properties of a series of novel push–pull quinoxalinone-based chromophores that strongly absorb and emit light in the broad visible spectrum were comprehensively studied both experimentally and through quantum chemical methods.

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