Molecular first order hyperpolarizability and vibrational spectral investigation of Warfarin sodium

Kostova, Irena; Joe, I. Hubert

doi:10.1016/j.chemphys.2010.10.008

Cited by 12 publications

(8 citation statements)

References 65 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In the spectrum of the oral suspension, despite its domination by placebo peaks, the presence of warfarin is evident (double peaks at 1574 and 1612 cm −1 ). Contrary to what was expected, the sodium salt was not detected, since there was an absence of any of the expected peaks at 681 cm −1 (out-of-plane skeletal mode 4 of phenyl B group), 1417 cm −1 (CH 2 rocking bond) and 1605 cm −1 (C-C stretching vibration 8b mode of the phenyl A group) [18]. Furthermore, the spectrum of the sediment removed by centrifugation revealed exclusive precipitation of the unsalted form of warfarin, which was identical to that of the reference (Figure 2).…”

Section: Resultscontrasting

confidence: 72%

“…The IR/ATR spectra of the sediments verify the presence of warfarin, while neither of the salts (amorphous or clathrate) could be detected (Figure 5). The absence of peaks at 1598 cm −1 (C-C stretching vibration 8b mode of phenyl A group) and 1511 cm −1 (C-C stretching vibration 8a mode of phenyl B group) [18] proves that neither warfarin sodium amorphous nor warfarin sodium clathrate are present in the sediment. On the other hand, the peaks of 1681 cm −1 (stretching of the carbonyl group of C 11 atom), 1617 cm −1 (C-C stretching vibration 8b mode of phenyl A group, coupled with the CH bending mode), 1571 cm −1 (C-C stretching vibration 8a mode of phenyl B group), and 1076 cm −1 (C-H in-plane bending vibration 18a mode of phenyl B group) [17,20] in the sediment acquired by the aqueous solution of warfarin sodium amorphous and in warfarin API spectra verify that they are chemically identical.…”

Section: Ir Spectroscopy Of Warfarin Forms and Sedimentsmentioning

confidence: 95%

See 1 more Smart Citation

Warfarin Sodium Stability in Oral Formulations

et al. 2021

View full text Add to dashboard Cite

Warfarin sodium is a low-dose pharmaceutical blood thinner that exists in two forms: the clathrate form and the amorphous form. In commercially available warfarin sodium oral suspension, the active pharmaceutical ingredient (API) is added in the amorphous state. This study investigates the apparent instability of the commercially available warfarin liquid oral formulation using Raman and IR spectroscopy, X-ray diffraction, differential scanning calorimetry, UV spectroscopy, and optical microscopy. Warfarin, not its sodium salt, was identified as the undissolved solid existing in the suspension. This was found to be due to the dissociation of sodium salt and the protonation of the warfarin ion in the liquid phase, which triggered the crystallization of the sparingly soluble unsalted form. The coexistence of protonated and unprotonated warfarin ions in the supernatant, as detected by Raman and UV spectroscopy, confirmed this assumption. Study of the dissolution of warfarin sodium amorphous salt and crystalline sodium clathrate in the placebo and pure water verified the results. The effect of pH and temperature on warfarin precipitation was also explored.

show abstract

Section: Resultscontrasting

confidence: 72%

Section: Ir Spectroscopy Of Warfarin Forms and Sedimentsmentioning

confidence: 95%

Warfarin Sodium Stability in Oral Formulations

et al. 2021

View full text Add to dashboard Cite

show abstract

“…However, despite numerous studies, little information has been acquired on the cellular mechanism of action of coumarin compounds in the treatment of malignancies. Therefore, a comprehensive structure-activity relationship study of coumarins with special reference to carcinogenicity, mutagenicity, and cancer-preventing activity would be of high interest [3,4].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterization, and Cytotoxicity of a Ga(III) Complex with Warfarin

Joe,

Atanasova,

Mojžiš

et al. 2024

Inorganics

Self Cite

View full text Add to dashboard Cite

The gallium(III) complex of warfarin was synthesized, and its structure was determined by means of theoretical, analytical, and spectral analyses. Significant differences in the IR and Raman spectra of the complex were observed as compared to the spectra of the ligand and confirmed the suggested metal-ligand binding mode. The theoretical study of the Ga(III) complex of warfarin has been done to elucidate the structure-activity relation, inter- and intra-molecular interactions, and frontier molecular orbital energy analysis based on DFT computations. A molecular docking study has been performed to predict the biological activity of the molecule. In this paper, we report preliminary results about the cytotoxicity of the investigated compounds. The cytotoxic effects of the ligand and its Ga(III) complex were determined using the MTT method on different tumor cell lines. The screening performed revealed that the tested compounds exerted cytotoxic activity on the evaluated cell lines.

show abstract

“…In this paper, we present a SERS technique for warfarin detection in pharmaceutical dosage forms and in human plasma involving spiking with known amounts of warfarin in increasing concentrations utilizing a portable, easy-to-use Raman instrument. The number of Raman studies of warfarin in the literature is very limited typically focusing on solid form and tablet analysis [31][32][33]. Even with the signal enhancement associated with SERS, the direct detection of solvated warfarin molecules (and other similar drug molecules) is particularly challenging due to the limited solubility and the requirement that the target molecule adsorbs effectively onto the nanoparticle substrate.…”

Section: Introductionmentioning

confidence: 99%

Detection and quantification of warfarin in pharmaceutical dosage form and in spiked human plasma using surface enhanced Raman scattering

Sultan

El‐Alamin

Wark

et al. 2020

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

View full text Add to dashboard Cite

Analytical approaches for the quantitation of warfarin in plasma are high in demand. In this study, a novel surface enhanced Raman scattering (SERS) technique for the quantification of the widely used anticoagulant warfarin sodium in pharmaceutical dosage form and in spiked human plasma was developed. The colloidal-based SERS measurements were carefully optimised considering the laser wavelength, the type of metal nanoparticles, their surface functionalization and concentration as well as the time required for warfarin to associate with the metal surface. Poly(diallyldimethylammonium chloride) coated silver nanoparticles (PDDA-AgNPs) were established as a substrate which greatly enhanced the weak warfarin Raman signal with high reproducibility. The limit of detection was calculated in both water and human plasma to be 0.56 nM (0.17 ngmL -1 ) and 0.25 nM (0.08 ngmL -1 ) respectively, with a high degree of accuracy and reproducibility. The proposed method is simple, economical, and easily applied for routine application requiring only small plasma samples and also could be potentially useful for pharmacokinetic research on warfarin.

show abstract

Molecular first order hyperpolarizability and vibrational spectral investigation of Warfarin sodium

Cited by 12 publications

References 65 publications

Warfarin Sodium Stability in Oral Formulations

Warfarin Sodium Stability in Oral Formulations

Synthesis, Characterization, and Cytotoxicity of a Ga(III) Complex with Warfarin

Detection and quantification of warfarin in pharmaceutical dosage form and in spiked human plasma using surface enhanced Raman scattering

Contact Info

Product

Resources

About