Adsorption geometry of propranolol enantiomers on silver nanoparticles

Știufiuc, Rareș; Iacoviță, Cristian; Lucaciu, Constantin Mihai; Ştiufiuc, G.; Nicoară, Raul; Oltean, Mihai; Chiş, Vasile; Bodoki, Ede

doi:10.1016/j.molstruc.2012.10.001

Cited by 25 publications

(26 citation statements)

References 16 publications

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“…All these bands are attributed to different modes of benzene ring breathing vibration. The results show that there is a very small difference between the Raman and SERS band positions (maximum 6 cm −1 ), indicating a weak interaction between the molecules and the silver surface [39].…”

Section: Differentiation Of the Four Ephedrine Analogues Using Pls-damentioning

confidence: 93%

“…Raman and SERS spectral analysis of ephedrine and its analogues Figure 7 shows the plotting of the SERS, and the experimental and calculated Raman spectra of the four pure ephedrine analogues. Usually, the total symmetric breathing vibration of aromatic rings is present as a high-intensity band in Raman spectra [38]. As shown in Fig.…”

Section: Differentiation Of the Four Ephedrine Analogues Using Pls-damentioning

confidence: 99%

“…It is well known that vibrational wave numbers obtained by quantum chemical calculations are typically larger than their experimental counter parts. Three cumulative effects-anharmonic potential energy surface, incomplete incorporation of the electron correlations, and incompleteness of the basis sets used in the calculation are responsible for those shifts [38]. In fact, even if advanced quantum effect was taken into consideration, the calculated spectra would still not match the experimental ones well for the time being.…”

Section: Differentiation Of the Four Ephedrine Analogues Using Pls-damentioning

confidence: 99%

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Rapid on-site detection of ephedrine and its analogues used as adulterants in slimming dietary supplements by TLC-SERS

Cao

Lou

et al. 2014

Anal Bioanal Chem

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Ephedrine and its analogues are in the list of prohibited substance in adulteration to botanical dietary supplements (BDS) for their uncontrollable stimulating side effects. However, they were always adulterated illegally in BDS to promote losing weight. In order to avoid detection, various kinds of ephedrine analogues were added rather than ephedrine itself. This has brought about great difficulties in authentication of BDS. In this study, we put forward for the first time a method which combined thin-layer chromatography (TLC) and surface-enhanced Raman scattering (SERS) to directly identify trace adulterant. Ephedrine, pseudoephedrine, methylephedrine, and norephedrine were mixed and used in this method to develop an analytical model. As a result, the four analogues were separated efficiently in TLC analysis, and trace-components and low-background SERS detection was realized. The limit of detection (LOD) of the four analogues was 0.01 mg/mL. Eight common Raman peaks (△υ = 620, 1003, 1030, 1159, 1181, 1205, 1454, 1603 cm(-1)) were extracted experimentally and statistically to characterize the common feature of ephedrine analogues. A TLC-SERS method coupled with common-peak model was adopted to examine nine practical samples, two of which were found to be adulterated with ephedrine analogues. Identification results were then confirmed by UPLC-QTOF/MS analysis. The proposed method was simple, rapid, and accurate and can also be employed to trace adulterant identification even when there are no available reference derivatives on-site or unknown types of ephedrine analogues are adulterated.

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Section: Differentiation Of the Four Ephedrine Analogues Using Pls-damentioning

confidence: 93%

Section: Differentiation Of the Four Ephedrine Analogues Using Pls-damentioning

confidence: 99%

Section: Differentiation Of the Four Ephedrine Analogues Using Pls-damentioning

confidence: 99%

See 1 more Smart Citation

Rapid on-site detection of ephedrine and its analogues used as adulterants in slimming dietary supplements by TLC-SERS

Cao

Lou

et al. 2014

Anal Bioanal Chem

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“…All these bands are assigned to different vibrational modes of the naphthyl group. 58,59 When using 1 mL OH AuNPs as SERS substrates, one could not record the characteristic spectrum of PRNL by the simple addition of the analyte to colloidal suspension. The result remained the same in basic conditions or upon the addition of different aggregating agents (NaCl, LiCl).…”

Section: Surface-enhanced Raman Spectroscopymentioning

confidence: 99%

<em>Origanum vulgare</em> mediated green synthesis of biocompatible gold nanoparticles simultaneously possessing plasmonic, antioxidant and antimicrobial properties

Benedec

Oniga

Cuibus

et al. 2018

IJN

Self Cite

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PurposeThe leaves and flowering stem of Origanum vulgare contain essential oils, flavonoids, phenolic acids and anthocyanins. We propose a new, simple, one-pot, O. vulgare extract (OVE) mediated green synthesis method of biocompatible gold nanoparticles (AuNPs) possessing improved antioxidant, antimicrobial and plasmonic properties.Materials and methodsDifferent concentrations of OVEs were used to reduce gold ions and to synthetize biocompatible spherical AuNPs. Their morphology and physical properties have been investigated by means of transmission electron microscopy, ultraviolet–visible absorption spectroscopy, photon correlation spectroscopy and Fourier transform infrared spectroscopy, whereas their plasmonic properties have been tested using surface-enhanced Raman spectroscopy (SERS). The antioxidant properties of nanoparticles (NPs) have been evaluated by 2,2-diphenyl-1-picrylhydrazyl radical scavenging assay, and the antimicrobial tests were performed using the disk diffusion assay. Their cytotoxicity has been assessed by means of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay.ResultsThe experimental results confirmed the successful synthesis of biocompatible, spherical, plasmonic NPs having a mean diameter of ~40 nm and an outstanding aqueous stability. This new class of NPs exhibits a very good antioxidant activity and presents interesting inhibitory effects against Staphylococcus aureus and Candida albicans. Due to their plasmonic properties, AuNPs are used as SERS substrates for the detection of a test molecule (methylene blue) up to a concentration of 10−7 M and a pharmaceutical compound (propranolol) in solution. Cytotoxicity assays revealed that AuNPs are better tolerated by normal human dermal fibroblast cells, while the melanoma cancer cells are more sensitive.ConclusionThe biocompatible AuNPs synthetized using OVEs showed significant bactericidal and antimycotic activities, the most sensitive microorganisms being S. aureus and C. albicans, both commonly involved in various dermatological infections. Moreover, the significant antioxidant effect might recommend their use for protective and/or preventive effect in various skin inflammatory conditions, including the reduction in side effects in dermatological infections. Meanwhile, the as-synthesized biocompatible AuNPs can be successfully used as SERS substrates for the detection of pharmaceutical compounds in aqueous solutions.

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“…This should increase the retained volumes, but the order of adsorption will significantly depend on the test molecule's size. There have been previous studies . where unmodified metal surfaces were used to separate optical isomers.…”

Section: Introductionmentioning

confidence: 99%

A molecular dynamics simulation of the chemisorption of the optical isomers of propranolol on the graphitic electrode modified with melamine, cyanuric, and isocyanuric acids

Ilyina

Khamitov

Maistrenko

2018

J Chinese Chemical Soc

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To demonstrate the nature of the interaction of optical isomers of propranolol with the surface of the graphitic electrode modified with melamine, uracil, cyanuric, and isocyanuric acids, we have performed molecular dynamics simulations of the fourcomponent systems with variable modifier's molecules. We have considered the possible formation of complexes between the propranolol and modifier's molecules, covering the electrode approximated as the graphene surface. Our simulations demonstrate that the L-isomer in aqueous solutions is bonded to the electrode surface stronger than its D-counterpart; hence, the difference in analytical signals arises. Different strengths of bonding of the propranolol enantiomers to the surface modifiers are caused by the different intramolecular interactions taking place in the molecules of D-and L-isomers. Thus, we have computationally shown that the modification of the graphite surface with melamine, uracil, cyanuric, and isocyanuric acids allows for increasing the sensitivity of the electrode toward the propranolol enantiomers and using the modified graphitic electrodes for the detection of its D-and L-forms.

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Adsorption geometry of propranolol enantiomers on silver nanoparticles

Cited by 25 publications

References 16 publications

Rapid on-site detection of ephedrine and its analogues used as adulterants in slimming dietary supplements by TLC-SERS

Rapid on-site detection of ephedrine and its analogues used as adulterants in slimming dietary supplements by TLC-SERS

<em>Origanum vulgare</em> mediated green synthesis of biocompatible gold nanoparticles simultaneously possessing plasmonic, antioxidant and antimicrobial properties

A molecular dynamics simulation of the chemisorption of the optical isomers of propranolol on the graphitic electrode modified with melamine, cyanuric, and isocyanuric acids

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