Absorption and fluorescence spectral characteristics of norepinephrine, epinephrine, isoprenaline, methyl dopa, terbutaline and orciprenaline drugs

Siva, S.; Venkatesh, G.; Prabhu, A. Antony Muthu; Sankaranarayanan, R.; Rajendiran, N.

doi:10.1080/00319104.2011.597029

Cited by 26 publications

(12 citation statements)

References 33 publications

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“…The λ max red shift resulting from the tuning-scheme employed here has also been reported for other organic molecules, and this effect has been attributed to the larger amount of Hartree–Fock exchange in the default LC-RSH functional with respect to the tuned-RSH (recall that the obtained optimal ω parameter is ∼60% of the benchmarked value) . In terms of accuracy, the calculated absorption at 219 and 223 nm matches the measured spectrum of EPN in water by Siva et al (220 nm) . On the other hand, for the weakest excitation band, the maximum absorption wavelength of 265 nm is in better agreement with the experimentally measured band (280 nm) than with the default DFT hybrid; thus, a clear improvement of the simulated spectrum is aided by the gap-tuning scheme.…”

Section: Results and Discussionsupporting

confidence: 81%

“…39 In terms of accuracy, the calculated absorption at 219 and 223 nm matches the measured spectrum of EPN in water by Siva et al (220 nm). 84 On the other hand, for the weakest excitation band, the maximum absorption wavelength of 265 nm is in better agreement with the experimentally measured band (280 nm) than with the default DFT hybrid; thus, a clear improvement of the simulated spectrum is aided by the gaptuning scheme.…”

Section: Introductionsupporting

confidence: 57%

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Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum

et al. 2018

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The electronic absorption spectrum of the neurotransmitter epinephrine (EPN) in water solution is studied, combining ab initio Car-Parrinello molecular dynamics (CPMD) with a quantum mechanical approach within the framework of the time-dependent density functional theory (TDDFT) scheme. By selecting 52 uncorrelated snapshots, the excitation modes were calculated at the LC-ωPBE/6-31+G(d) level of theory, using an optimal range-separation parameter ω, determined by means of the gap-tuning scheme in the presence of the solvent molecules. By comparing with static approaches (vacuum and implicit solvation), we show here that explicit solvation treatment dramatically enhances the photophysical properties of the EPN, especially because of the more realistic dynamic description of the molecular geometry. The agreement between the simulated and experimental spectra is demonstrated when TDDFT calculations are performed with the optimally tuned version of the DFT hybrid, not only improving the relative intensities of the absorption bands but also the λ position. These results highlight that accounting for the nuclear motions, that is, thermal effects (of both chromophore and solvent molecules), is imperative to predict experimental absorption spectra. In this paper, we have addressed the critical importance of explicit solvation effects on the photophysics of the EPN, raking in performance when the simulation is performed based on first-principles molecular dynamics such as CPMD.

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Section: Results and Discussionsupporting

confidence: 81%

Section: Introductionsupporting

confidence: 57%

Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum

et al. 2018

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“…However, the pH of the eye drops could not be adjusted below 6.5 since that would irritate the eyes. In order to mitigate degradation, isoproterenol and propranolol drops were freshly prepared once per week in plastic vials and stored at 4 • C. UV spectra of the isoproterenol drops were measured over time to confirm drug stability (Siva et al, 2012).…”

Section: Eye Dropsmentioning

confidence: 99%

Blocking Ocular Sympathetic Activity Inhibits Choroidal Neovascularization

et al. 2022

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Purpose: To investigate how modulating ocular sympathetic activity affects progression of choroidal neovascularization (CNV), a hallmark feature of wet age-related macular degeneration (AMD).Methods: In the first of two studies, Brown Norway rats underwent laser-induced CNV and were assigned to one of the following groups: daily eye drops of artificial tears (n = 10; control group); daily eye drops of the β-adrenoreceptor agonist isoproterenol (n = 10); daily eye drops of the β-adrenoreceptor antagonist propranolol (n = 10); sympathetic internal carotid nerve (ICN) transection 6 weeks prior to laser-induced CNV (n = 10). In the second study, rats underwent laser-induced CNV followed by ICN transection at different time points: immediately after the laser injury (n = 6), 7 days after the laser injury (n = 6), and sham surgery 7 days after the laser injury (n = 6; control group). All animals were euthanized 14 days after laser application. CNV development was quantified with fluorescein angiography and optical coherence tomography (in vivo), as well as lesion volume analysis using 3D confocal reconstruction (postmortem). Angiogenic growth factor protein levels in the choroid were measured with ELISA.Results: In the first study, blocking ocular sympathetic activity through pharmacological or surgical manipulation led to a 75% or 70% reduction in CNV lesion volume versus the control group, respectively (P < 0.001). Stimulating ocular sympathetic activity with isoproterenol also led to a reduction in lesion volume, but only by 27% versus controls (P < 0.05). VEGF protein levels in the choroid were elevated in the three treatment groups (P < 0.01). In the second study, fluorescein angiography and CNV lesion volume analysis indicated that surgically removing the ocular sympathetic supply inhibited progression of laser-induced CNV, regardless of whether ICN transection was performed on the same day or 7 days after the laser injury.Conclusion: Surgical and pharmacological block of ocular sympathetic activity can inhibit progression of CNV in a rat model. Therefore, electrical block of ICN activity could be a potential bioelectronic medicine strategy for treating wet AMD.

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“…It has been well established that a wide range of organic molecules in aqueous solutions exhibit enhanced fluorescence when incorporated into CD hosts (9)(10)(11)(12)(13)(14)(15). If the guest molecule is a polarity-sensitive fluorescent probe, the complexation can be monitored by measuring the changes in the probe fluorescence upon addition of the CD host.…”

Section: Introductionmentioning

confidence: 99%

Inclusion complexation of 4,4′-dihydroxybenzophenone and 4-hydroxybenzophenone with α- and β-cyclodextrins

Rajendiran

Venkatesh

2014

Supramolecular Chemistry

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The inclusion complexation behaviours of 4,4 0 -dihydroxybenzophenone (DHBP) and 4-hydroxybenzophenone (HBP) with a-cyclodextrin (a-CD) and b-cyclodextrin (b-CD) were investigated using UV -visible fluorescence, time-resolved fluorescence, molecular modelling, scanning electron microscopy (SEM), FTIR, differential scanning calorimeter, X-ray diffraction, 1 H NMR and molecular modelling techniques. In both molecules, biexponential decay was observed in water, whereas triexponential decay was observed in the CD medium. The DSC thermogram of the DHBP/a-CD and DHBP/b-CD inclusion complex nanomaterials shows the endothermic peak at 60.8, 101.9, 119.6 and 112.88C. The upfield chemical shift observed for HBP protons reveal that the phenyl ring (without hydroxyl substitution) entered the CD cavity and the hydroxyl group of HBP is exposed outside the CD cavity. The SEM image of DHBP appears as needle-shaped crystals on the micrometre scale, whereas the irregular bar shape was observed for HBP. Transmission electron microscopy images show that both guest molecules formed nano vesicles with a-CD and formed nano rods with b-CD.

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Absorption and fluorescence spectral characteristics of norepinephrine, epinephrine, isoprenaline, methyl dopa, terbutaline and orciprenaline drugs

Cited by 26 publications

References 33 publications

Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum

Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum

Blocking Ocular Sympathetic Activity Inhibits Choroidal Neovascularization

Inclusion complexation of 4,4′-dihydroxybenzophenone and 4-hydroxybenzophenone with α- and β-cyclodextrins

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