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  • 1. Ali, Hassan
    et al.
    Edwards, Howell G.M.
    Chemical and Forensic Sciences, School of Life Sciences, University of Bradford.
    Kendrick, J.
    Institute of Pharmaceutical Innovation, University of Bradford.
    Munchi, Tasnim
    Chemical and Forensic Sciences, School of Life Sciences, University of Bradford.
    Scowen, Ian J.
    Chemical and Forensic Sciences, School of Life Sciences, University of Bradford.
    Vibrational spectroscopic study of budesonide2007In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 38, no 7, p. 903-908Article in journal (Refereed)
    Abstract [en]

    The Raman spectrum of budesonide is reported for the first time, and molecular assignments are proposed on the basis of ab initio BLYP DFT calculations with a 6-31 G* basis set and vibrational wavenumbers predicted on a quasi-harmonic approximation. Comparison with previously published infrared data has explained several spectral features, and the relative band intensities in the C=O and C=C stretching regions are interpreted. The results from this study provide data that can be used for the preparative process monitoring of budesonide, an important steroidal pharmaceutical in various dosage forms, and its interaction with excipients and other components

  • 2. Ali, Hassan
    et al.
    Edwards, Howell G.M.
    Chemical and Forensic Sciences, School of Life Sciences, University of Bradford.
    Scowen, Ian J.
    Chemical and Forensic Sciences, School of Life Sciences, University of Bradford.
    Insight into thermally induced solid-state polymorphic transformation of sulfathiazole using simultaneous in situ Raman spectroscopy and differential scanning calorimetry2009In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 40, no 8, p. 887-892Article in journal (Refereed)
    Abstract [en]

    Pharmaceutical solids exposed to thermal stress during manufacturing processes undergo various phase transformations in bulk drug substances or excipients, resulting in altered dosage form performance. Due to its relatively rapid spectral acquisition rate, as well as the possibility of incorporation into in-line monitoring, Raman spectroscopy is ideally suited to monitoring the transformation between different solid-state forms. In this study, we demonstrate that the transition temperature for polymorphs can be estimated from the transformation profiles obtained from real-time, in situ, simultaneous Raman spectroscopic, and differential scanning calorimetric data. Using this method, we have estimated the transition temperature of the solid-state transformation of the enantiotropically related sulfathiazole polymorphs III and I. These results suggest that this method is a useful approach to determine transition temperatures in systems that are not amenable to accessing other methods

  • 3.
    Enman, Josefine
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ramser, Kerstin
    Luleå University of Technology, Department of Computer Science, Electrical and Space Engineering, Signals and Systems.
    Rova, Ulrika
    Berglund, Kris
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Raman analysis of synthetic eritadenine2008In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 39, no 10, p. 1464-1468Article in journal (Refereed)
    Abstract [en]

    Eritadenine, 2(R),3(R)-dihydroxy-4-(9-adenyl)-butyric acid, is a cholesterol-reducing compound naturally occurring in the shitake mushroom (Lentinus edodes). To identify the unknown Raman spectrum of this compound, pure synthetic eritadenine was examined and the vibrational modes were assigned by following the synthesis pathway. This was accomplished by comparing the known spectra of the starting compounds adenine and D-ribose with the spectra of a synthesis intermediate, methyl 5-(6-Aminopurin-9H-9-yl)-2,3-O-isopropylidene-5-deoxy-β-D-ribofuranoside (MAIR) and eritadenine. In the Raman spectrum of eritadenine, a distinctive vibrational mode at 773 cm-1 was detected and ascribed to vibrations in the carbon chain, ν(C--C). A Raman line that arose at 1212 cm-1, both in the Raman spectrum of MAIR and eritadenine, was also assigned to ν(C--C). Additional Raman lines detected at 1526 and at 1583 cm-1 in the Raman spectrum of MAIR and eritadenine were assigned to ν(N--C) and a deformation of the purine ring structure. In these cases the vibrational modes are due to the linkage between adenine and the ribofuranoside moiety for MAIR, and between adenine and the carbon chain for eritadenine. This link is also the cause for the disappearance of adenine specific Raman lines in the spectrum of both MAIR and eritadenine. Several vibrations observed in the spectrum of D-ribose were not observed in the Raman spectrum of eritadenine due to the absence of the ribose ring structure. In the Raman spectrum of MAIR some of the D-ribose specific Raman lines disappeared due to the introduction of methyl and isopropylidene moieties to the ribose unit. With the approach presented in this study the so far unknown Raman spectrum of eritadenine could be successfully identified and is presented here for the first time.

  • 4.
    Erjavec, Nika
    et al.
    CBZI, University of Nova Gorica, Vipava.
    Pinato, Giulietta
    CBZI, University of Nova Gorica, Vipava.
    Ramser, Kerstin
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Fluid and Experimental Mechanics.
    Raman spectroscopy as a tool for detecting mitochondrial fitness2016In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 47, no 8, p. 933-939Article in journal (Refereed)
    Abstract [en]

    Raman spectroscopy allows the molecular chemical analysis of whole living cells by comparing them to known Raman signatures of specific vibrational bonds. In this work we used Raman spectroscopy to differentiate between wild type yeast cells and mutants characterized by increased or reduced mitochondrial fragmentation. To associate mitochondrial fragmentation with biochemical markers, we performed Linear Discriminant Analysis (LDA) of whole cell Raman spectra (~50–100 cells/spectrum). We show that the long-lived, less fragmented mutants fall into a significantly distant cluster from the wild type and short-lived, more fragmented mutants. Clustering depends on respiratory growth and coincides with that of membrane phospholipids and some respiratory chain components. Spectral clustering is supported by enzymatic activity measurements of OXPHOS Complexes. In addition, we find that NAD(P)H autofluorescence also correlates with mitochondrial fragmentation, representing another likely aging biomarker, besides phospholipids and OXPHOS components. In summary, we demonstrate that Raman spectroscopy has the potential to become a powerful tool for differentiating healthy from unhealthy aged tissues, as well as for the prognostic evaluation of mitochondrial function and fitness.

  • 5.
    Frost, Ray L.
    et al.
    Queensland University of Technology.
    Forsling, Willis
    Holmgren, Allan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Kloprogge, Theo
    Queensland University of Technology.
    Kristof, Janos
    University of Veszprem.
    Raman spectroscopy at temperatures between 298 and 423 K and at 77 K of kaolinites intercalated with formamide1998In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 29, no 12, p. 1065-1069Article in journal (Refereed)
    Abstract [en]

    Raman spectra of kaolinite and of the formamide-intercalated kaolinite were obtained at both 298 and 77 K using a Raman microprobe equipped with a thermal stage. Upon cooling to 77 K, the band attributed to the inner hydroxyl shifts by 5 cm-1 to lower wavenumbers and the bands assigned to the inner surface hydroxyls move to higher wavenumbers. Upon intercalation of the kaolinite with formamide, an additional Raman band attributed to the formation of a hydrogen-bonded complex between the inner surface hydroxyls and the carbonyl group of the formamide is observed at 3627 cm-1 at 298 K and at 3631 cm-1 at 77 K. Raman spectra of the deintercalation of the formamide-intercalated kaolinite are obtained by using the thermal stage to heat the intercalated kaolinite in situ. A decrease in intensity of the bands formed through intercalation and at the same time an increase in intensity of the inner surface hydroxyl bands are observed. A loss of intensity of the low-wavenumber region of the formamide-intercalated kaolinite is also observed.

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