Pharmaceutical reaction monitoring by Raman spectroscopy

Denton, M. Bonner; Shackman, Jonathan G.; Giles, Jeffrey H.

doi:10.1039/9781847550958-00186

Cited by 2 publications

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“…Raman spectroscopy is a widely used technique for quantitative analysis and qualitative monitoring of chemical reactions in solution and has also been applied extensively to the characterization of polymorphic systems. Almost every molecular species other than metals and simple salts produces Raman spectra. , Therefore, it is suitable for analysis in order to measure in situ the solubility of metastable β-HNIW in organic binary solvent mixtures.…”

Section: Introductionmentioning

confidence: 99%

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Solubility Measurement Study on a Metastable Polymorph of β-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane by Raman Spectroscopy

Park

Yang

Kim

et al. 2019

Crystal Growth & Design

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Raman spectroscopy was used to measure the solubility of the metastable form of β-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (β-HNIW) in organic binary solvent mixtures. The distinct Raman spectra peaks of the solid, solute, solution, and solvent were investigated. Peaks that were not overlapping each other were used to develop a calibration curve. Then, linear relationships between solution concentration and Raman intensity were used to measure the solubility of β-HNIW in binary solvent mixtures during the dissolving process. The solubility of β-HNIW in binary solvent mixtures (ethyl acetate + n-hetpane, ethyl acetate + 1,1,2-trichloroethane, ethyl acetate + cyclohexane, ethyl acetate + toluene, ethyl acetate + diethyl ether, and ethyl acetate + petroleum ether) was investigated. The temperature ranged from 283.15 K to 333.15 K at atmospheric pressure. The solubility of β-HNIW in binary solvent mixtures decreases with increasing temperature. In order to correlate the solubility of β-HNIW, the combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R-K) model and Jouyban–Acree model were employed. The Jouyban–Acree model is in better agreement with experimental solubility for all of the binary solvent mixtures. The average relative error is less than 0.05. Dissolution enthalpy and entropy were determined using the van’t Hoff equation.

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Section: Introductionmentioning

confidence: 99%

“…Almost every molecular species other than metals and simple salts produces Raman spectra. 3,4 Therefore, it is suitable for analysis in order to measure in situ the solubility of metastable β-HNIW in organic binary solvent mixtures.…”

mentioning

confidence: 99%

Solubility Measurement Study on a Metastable Polymorph of β-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane by Raman Spectroscopy

Park

Yang

Kim

et al. 2019

Crystal Growth & Design

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Real‐time monitoring of tritium gas reactions using Raman spectroscopy

Heys

Powell

Pivonka

2004

Labelled Comp Radiopharmac

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SummaryThe utility of Raman spectroscopy for noninvasive, real-time monitoring of a range of tritium gas labeling reactions has been investigated, using deuterium gas as a model in most cases. Reaction types include organoiridium-catalyzed heteroatom-directed exchange (HDE), olefin hydrogenation and catalytic aryl dehalogenation. Five examples of HDE reactions with several different substrate types were monitored by observation of Raman vibrational bands sensitive to the isotopic substitutions. Changes in peak intensities and/or frequencies associated with the course of labeling are clearly observable at concentrations and reaction scales typical of tritium gas reactions. Similarly, Raman bands sensitive to the chemical changes that occur during catalytic deuterogenation of an olefin and to catalytic deuterium-bromine exchange of an aryl bromide were successfully monitored. This methodology can provide unprecedented real-time information, otherwise difficult to obtain, over the course of such reactions.

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Pharmaceutical reaction monitoring by Raman spectroscopy

Cited by 2 publications

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Solubility Measurement Study on a Metastable Polymorph of β-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane by Raman Spectroscopy

Solubility Measurement Study on a Metastable Polymorph of β-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane by Raman Spectroscopy

Real‐time monitoring of tritium gas reactions using Raman spectroscopy

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