用傅立叶近红外和主成分分析法鉴定药品原型

Varian Application Notes

Identification of a Pharmaceutical Tablet’s Origin Using FT-Near-IR and Principal Component Analysis

Introduction

After 10–15 years and $800 million, a pharmaceutical  company developed a new drug candidate that successfully
passed all the Food & Drug Administration (FDA) mandated clinical trials and is now ready for sale to patients in the United
States. There is a clear reason for the eagerness of drug  companies to manufacture a generic version of its pioneer
equivalent once it is no longer under patent protection; in 2006  Pfizer reported over $1.5 billion in sales of its Zyrtec® product,
which was losing patent protection in September of that year. To protect the consumer, in 1984 the FDA passed the
Waxman-Hatch Act. that requires generic drugs to maintain the same bioequivalence and pharmaceutical equivalence as
their pioneer counterpart, while the excipients can vary. Both mid-infrared (Mid-IR) spectroscopy, the spectral region
from 4,000 cm -1  to 400 cm-1, and near infrared (Near-IR) spectroscopy, the spectral region from ~12,500 cm-1  to
4,000 cm-1, have the capability of identifying active pharmaceutical ingredients (API) and excipients of pharmaceutical products. Each region has advantages that will be discussed and the use of Near-IR spectroscopy for the differentiation of Zyrtec and its cetirizine generic counter parts will be highlighted.

Conclusion

Both Mid-IR and Near-IR spectroscopy can be used for the routine analysis of pharmaceutical tablets. Spectral acquisition
using an ATR accessory can be a simple and cost-effective means of obtaining characteristic spectral information. Near-IR sampling with an Integrating Sphere accessory is also an invaluable tool for such analyses as it can be a high-throughput and hassle free analytical approach that can often be a time saving replacement to existing chromatography or wet chemistry techniques. Its ability to acquire spectra of a sample through a plastic bag, glass vial, or a reagent bottle can be a significant asset in pharmaceutical applications. In addition, when combined with an easy-to-use chemometric software package such as AnalyzeIt™ MVP, infrared
spectroscopy can be used to perform the rapid screening of chemical species, identify unknown samples or mixtures, and allow users to quickly solve challenging pharmaceutical problems. Varian’s patented ATR-Imaging can be used to provide the ultimate surface analysis with high spatial resolution with distinct applications with a variety of pharmaceutical applications.