Code: TP03	Time Slot/Poster Number: 073	Session: Pharmaceutical Applications
Industrial Application of Raman Spectroscopy in Protein Pharmaceutical Manufacturing
Zai-Qing Wen
Department of Formulation and Analytical Resources, Thousand Oaks, CA
View Abstract PDF
Summary
Raman spectroscopy has been applied in the biopharmaceutical industry using highly sensitive, portable and user-friendly Raman spectrometers. They have been used in protein pharmaceutical characterization; raw material verification; manufacturing process monitoring; and product quality control. In this report, a number of novel applications are described using surface enhanced Raman spectroscopy (SERS) with gold nano-particle and confocal Raman microscopy to detect potential trace melamine contamination in raw material used to make protein therapeutics and to investigate a raw material quality deviation that caused a manufacture inefficiency.

Code: TP03	Time Slot/Poster Number: 074	Session: Pharmaceutical Applications
In-situ Raman spectroscopy for the in-line crystallization monitoring of entacapone
Predrag Novak; Tomica Hrenar; Martina Brkljaca; Tomislav Jednačak
University of Zagreb, Faculty of Science, Zagreb, Croatia
View Abstract PDF
Summary
The combined use of in-situ Raman spectroscopy and multivariate analysis to analyze polymorphic forms of entacapone will be reported and discussed. Entacapone is a selective inhibitor of catechol-O-methyltransferase an enzyme responsible for the metabolism of L-dopa being a precursor to dopamine. It exists in the two stereoisomeric forms, cis- and trans-, both bioactive. Entacapone is clinically used and prescribed for the treatment of Parkinson’s disease. Raman spectroscopy has the advantage that it can easily be used for the remote detection through fiber optics facilitating the in-line monitoring of crystallization processes thus generating data in real time.

Code: TP03	Time Slot/Poster Number: 075	Session: Pharmaceutical Applications
Anticounterfeiting Measures using Portable Raman Spectroscopy
Rick Cox1; Michael Green2; Lyle Small3; Bryan Ray1
1DeltaNu, Laramie, WY; 2Center for Disease Control, Atlanta, GA; 3Chromatic Technologies Inc., Colorado Springs , CO
View Abstract PDF
Summary
The paper described the use of portable Raman spectrometers and phototags as a deterrent for counterfeiting measures. The authors have used these systems for authenticating packaged pharmaceutical drugs and validating coatings in shipping containers. Raman devices are compact, fast and highly discriminatory.

Code: TP03	Time Slot/Poster Number: 076	Session: Pharmaceutical Applications
Raman Spectra and Conformational Stability of Gaseous, Liquid and Solid CF3CF2CH2NH2 and CF3CF2CH2ND2
Arindam Ganguly1; G A Guirgis2; Ikhlas D Darkhalil1; James R Durig1
1University of Missouri-Kansas City, Kansas City, MO, USA; 2College of Charleston, Charleston, South Carolina, USA
View Abstract PDF
Summary
Raman spectra of gaseous, liquid and solid CF3CF2CH2NH2 and CF3CF2CH2ND2 have been recorded and the vibrational spectra analyzed. Conformational stabilities have been determined and the stable conformer in the solid identified. These spectroscopic studies have been supported by ab initio calculations from which optimized geometries, conformational stabilities, harmonic force fields, infrared intensities, Raman activities and depolarization ratios have been obtained.

Code: TP03	Time Slot/Poster Number: 077	Session: Pharmaceutical Applications
Quantum mechanical calculations of cytosine, thiocytosine and their radical ions
Rashmi Singh
Research Scholar, Varanasi, India
View Abstract PDF
Summary
The RNA and DNA are polymer that share some interesting similarities, for instance it is well known that cytosine is the one of the common nucleic acid base. The sulfur is characterized as a very reactive element and it has been used, in chemical warfare agents. Since the genetic information is based on the sequence of the nucleic acid bases. The quantum mechanical calculations of the energies, geometries, charges and vibrational characteristics of the cytosine and thiocytosine. and their corresponding radicals were carried out by using DFT method with b3lyp/6-311++g** basis set.

Code: TP03	Time Slot/Poster Number: 078	Session: Pharmaceutical Applications
Pharmaceutical analysis from start to finish by Raman spectroscopy
Michael Donahue; Wayne Smith; Michael Patient; Stuart Farquharson
Real-Time Analyzers, Inc., Middletown, CT
View Abstract PDF
Summary
During the past decade Raman spectroscopy has become a widely used analytical tool in the laboratory, process environment and on-line. This is largely due to the fact that virtually every chemical produces a unique Raman signature, sample preparation is generally not required, and analyses can be performed in 1 minute or less. This presentation will describe the value of fluorescent free and x-axis stable Raman spectra in confirming the identity of raw materials, tracking reaction kinetics during drug discovery and product synthesis, monitoring and controlling batch and continuous feed reactors, and determining product properties using chemometrics.

Code: TP03	Time Slot/Poster Number: 079	Session: Pharmaceutical Applications
Conformational Stabilities From Variable Temperature Raman Spectra, r0 Structural Parameters, And Assignments Of 1,2-Diphosphinoethane
Savitha Panikar1; Victor Kalasinsky2; Tain-Hen Pai2; James Durig1
1University of Missouri-Kansas City, Kansas City, MO; 2Armed Forces Institute of Pathology, Washington D.C., USA
View Abstract PDF
Summary
Raman spectra of liquid and solid PH2CH2CH2PH2 have been recorded and the vibrational spectra analyzed from which fundamentals for six different conformers have been assigned. Conformational stabilities have been determined from variable temperature studies of the Raman spectrum of liquid and the order of the stability obtained from most stable to less stable as anti 4, anti 2, anti 3, anti 1, gauche 4, gauche 5. These spectroscopic studies have been supported by ab initio calculations from which optimized geometries, conformational stabilities, harmonic force fields, infrared intensities, Raman activities and depolarization ratios have been obtained.

Code: TP03	Time Slot/Poster Number: 080	Session: Pharmaceutical Applications
Raman Investigation Of Nanostructured Titania For Drug Delivery
Tessy Lopez1, 2; Emma Ortiz2; Roberto Alexander-Katz3; Jose A. Odriozola4; Patricia Quintana5; Richard D. Gonzales6; Danilo Bersani7; Pier Paolo Lottici7; Iari-Gabriel Marino7
1Departamento Atencion a la Salud, 04960 D.F.Mexico, Mexico; 2Laboratorio de Nanotecnologia INNN "MVS", 14269 D.F. Mexico, Mexico; 3Departamento de Física, Uam-Iztapalapa, 09340 Mexico, Mexico; 4Instituto de Ciencia de Materiales, Universidad, 41092 Sevilla, Espana; 5Departamento de Fisica Aplicada, 97310 Yucatán, Mexico; 6Dept. of Chemical and Biomolecular Engineering, 70118 New Orleans, USA; 7Physics Dept. University, Parma, Italy
View Abstract PDF
Summary
Functionalized titania xerogels are emerging as a new category of drug delivery systems. Valproic acid (VPA), an often used anticonvulsant drug, encapsulated within a sol-gel titania device, has been successfully tested as an implanted therapy for epileptic disorders. Raman investigation on titania -VPA prepared for different alkoxide:water molar ratios has been performed to understand the influence of the synthesis parameters on the kinetics of drug release. The role of the hydroxylation and of the morphology is discussed.

Code: TP03	Time Slot/Poster Number: 081	Session: Pharmaceutical Applications
Investigating crystallization of pharmaceutical materials both simultaneous DSC and Raman spectroscopy
Kevin Menard; Enrique Lozano Diz; David Norman; Richard Spragg; Jeffery Taylor
PerkinElmer LAS, Denton, TX
View Abstract PDF
Summary
We have used simultaneous differential scanning calorimetry (DSC) and Raman spectroscopy to study transitions between amorphous and crystalline states in a number of pharmaceutical materials including carbamazepine and acetaminophen.