{"title":"太赫兹频域光谱法与抑制水蒸气吸收峰的方法,用于分析药物水合物样品","authors":"Kei Shimura, Tetsuo Sasaki, Touya Ono, Mizuki Mohara, Kenji Aiko, Tomoaki Sakamoto","doi":"10.1007/s10762-024-01004-w","DOIUrl":null,"url":null,"abstract":"<p>Measurements of terahertz absorption spectra of pharmaceutical hydrate samples are achieved under a normal humidity condition by combining terahertz frequency-domain spectroscopy with a newly proposed method for suppressing absorption peaks caused by water vapor. In this method, only simple mathematical operations such as subtraction, thresholding, interpolation, and smoothing are applied to extinction (or absorbance) data obtained by locating samples under a normal humidity condition. By considering the difference in spectral line width between narrow absorption peaks caused by water vapor and the relatively wide absorption peaks caused by active pharmaceutical ingredients (APIs) in solid forms, the absorption peaks caused by water vapor can be effectively suppressed without affecting the absorption peaks of the APIs in the samples. In the present study, levofloxacin hydrates were used as samples to investigate the performance of the proposed method. Spectra were obtained under both dry and normal humidity conditions. The temperature of the samples was raised from 300 to 363 K to dehydrate them and brought back to 313 K to observe hydration under the normal humidity condition. Spectra obtained under the normal humidity condition were processed with the proposed method. The spectra of the hydrates obtained under the dry condition were slightly different from those obtained under the normal humidity condition and processed by our method. Dehydration during the measurements under the dry condition was suggested. Stable and reliable results are expected by measuring spectra under normal humidity conditions and applying the proposed method to suppress absorption peaks by water vapor.</p>","PeriodicalId":16181,"journal":{"name":"Journal of Infrared, Millimeter, and Terahertz Waves","volume":"91 1","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Terahertz Frequency-Domain Spectroscopy with a Method for Suppressing Water Vapor Absorption Peaks for Analysis of Pharmaceutical Hydrate Samples\",\"authors\":\"Kei Shimura, Tetsuo Sasaki, Touya Ono, Mizuki Mohara, Kenji Aiko, Tomoaki Sakamoto\",\"doi\":\"10.1007/s10762-024-01004-w\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Measurements of terahertz absorption spectra of pharmaceutical hydrate samples are achieved under a normal humidity condition by combining terahertz frequency-domain spectroscopy with a newly proposed method for suppressing absorption peaks caused by water vapor. In this method, only simple mathematical operations such as subtraction, thresholding, interpolation, and smoothing are applied to extinction (or absorbance) data obtained by locating samples under a normal humidity condition. By considering the difference in spectral line width between narrow absorption peaks caused by water vapor and the relatively wide absorption peaks caused by active pharmaceutical ingredients (APIs) in solid forms, the absorption peaks caused by water vapor can be effectively suppressed without affecting the absorption peaks of the APIs in the samples. In the present study, levofloxacin hydrates were used as samples to investigate the performance of the proposed method. Spectra were obtained under both dry and normal humidity conditions. The temperature of the samples was raised from 300 to 363 K to dehydrate them and brought back to 313 K to observe hydration under the normal humidity condition. Spectra obtained under the normal humidity condition were processed with the proposed method. The spectra of the hydrates obtained under the dry condition were slightly different from those obtained under the normal humidity condition and processed by our method. Dehydration during the measurements under the dry condition was suggested. Stable and reliable results are expected by measuring spectra under normal humidity conditions and applying the proposed method to suppress absorption peaks by water vapor.</p>\",\"PeriodicalId\":16181,\"journal\":{\"name\":\"Journal of Infrared, Millimeter, and Terahertz Waves\",\"volume\":\"91 1\",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2024-08-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Infrared, Millimeter, and Terahertz Waves\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1007/s10762-024-01004-w\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"ENGINEERING, ELECTRICAL & ELECTRONIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Infrared, Millimeter, and Terahertz Waves","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1007/s10762-024-01004-w","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
摘要
通过将太赫兹频域光谱与新提出的抑制水蒸气引起的吸收峰的方法相结合,在正常湿度条件下测量了药物水合物样品的太赫兹吸收光谱。在这种方法中,只需对正常湿度条件下通过定位样品获得的消光(或吸光度)数据进行简单的数学运算,如减法、阈值、插值和平滑。考虑到水蒸气引起的窄吸收峰与固体形式的活性药物成分(API)引起的相对较宽的吸收峰之间光谱线宽的差异,可以有效抑制水蒸气引起的吸收峰,而不影响样品中 API 的吸收峰。本研究以左氧氟沙星水合物为样品,考察了该方法的性能。光谱是在干燥和正常湿度条件下获得的。将样品温度从 300 K 升至 363 K 以使其脱水,然后将其温度降至 313 K 以观察正常湿度条件下的水合情况。在正常湿度条件下获得的光谱采用建议的方法进行处理。在干燥条件下获得的水合物光谱与在正常湿度条件下获得并用我们的方法处理的光谱略有不同。这表明在干燥条件下进行测量时出现了脱水现象。通过在正常湿度条件下测量光谱,并采用建议的方法抑制水蒸气的吸收峰,有望获得稳定可靠的结果。
Terahertz Frequency-Domain Spectroscopy with a Method for Suppressing Water Vapor Absorption Peaks for Analysis of Pharmaceutical Hydrate Samples
Measurements of terahertz absorption spectra of pharmaceutical hydrate samples are achieved under a normal humidity condition by combining terahertz frequency-domain spectroscopy with a newly proposed method for suppressing absorption peaks caused by water vapor. In this method, only simple mathematical operations such as subtraction, thresholding, interpolation, and smoothing are applied to extinction (or absorbance) data obtained by locating samples under a normal humidity condition. By considering the difference in spectral line width between narrow absorption peaks caused by water vapor and the relatively wide absorption peaks caused by active pharmaceutical ingredients (APIs) in solid forms, the absorption peaks caused by water vapor can be effectively suppressed without affecting the absorption peaks of the APIs in the samples. In the present study, levofloxacin hydrates were used as samples to investigate the performance of the proposed method. Spectra were obtained under both dry and normal humidity conditions. The temperature of the samples was raised from 300 to 363 K to dehydrate them and brought back to 313 K to observe hydration under the normal humidity condition. Spectra obtained under the normal humidity condition were processed with the proposed method. The spectra of the hydrates obtained under the dry condition were slightly different from those obtained under the normal humidity condition and processed by our method. Dehydration during the measurements under the dry condition was suggested. Stable and reliable results are expected by measuring spectra under normal humidity conditions and applying the proposed method to suppress absorption peaks by water vapor.
期刊介绍:
The Journal of Infrared, Millimeter, and Terahertz Waves offers a peer-reviewed platform for the rapid dissemination of original, high-quality research in the frequency window from 30 GHz to 30 THz. The topics covered include: sources, detectors, and other devices; systems, spectroscopy, sensing, interaction between electromagnetic waves and matter, applications, metrology, and communications.
Purely numerical work, especially with commercial software packages, will be published only in very exceptional cases. The same applies to manuscripts describing only algorithms (e.g. pattern recognition algorithms).
Manuscripts submitted to the Journal should discuss a significant advancement to the field of infrared, millimeter, and terahertz waves.