发布求助
文献互助 智能选刊 最新文献

Spectroscopy最新文献

筛选
英文 中文
Determination of Sulfuric Acid Effects on Degradation and Structural Changes of Gelatin Using Fourier-Transform Infrared Spectroscopy and Peak Deconvolution Analysis 用傅里叶变换红外光谱和峰反褶积分析测定硫酸对明胶降解和结构变化的影响
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.tw7684z4
Alireza Koochakzaei
{"title":"Determination of Sulfuric Acid Effects on Degradation and Structural Changes of Gelatin Using Fourier-Transform Infrared Spectroscopy and Peak Deconvolution Analysis","authors":"Alireza Koochakzaei","doi":"10.56530/spectroscopy.tw7684z4","DOIUrl":"https://doi.org/10.56530/spectroscopy.tw7684z4","url":null,"abstract":"The present research was aimed to investigate the effects of sulfuric acid on the structures of gelatin polypeptides. Gelatin samples were immersed in 0.5 M sulfuric acid solution for different periods of 15, 30, 60, 120, 240, 480, 960, and 1920 s, with possible structural changes analyzed by Fourier-transform infrared spectroscopy (FT-IR). Spectra at amide I and II regions were scrutinized using the Gaussian deconvolution method for the resulting changes in the protein secondary structure. The hydrolysis process initially led to a decrease in the α-helix chain and an increase in random coil and β-sheet structures. An equilibrium was formed in degradation and these structures were sequentially turned on each other. Results revealed a correlation between the peak intensity changes of these conformations, so that the degradation process could be observed in the conversion of α-helix to random coil and β-sheet structures and vice versa, indicating the oxidation and expansion of protein structure at the onset of the degradation process.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79703616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
New Analytical Tools for Biomedical Applications Using Machine Learning and Spectroscopy 使用机器学习和光谱学的生物医学应用的新分析工具
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.je3877t4
J. Chasse
{"title":"New Analytical Tools for Biomedical Applications Using Machine Learning and Spectroscopy","authors":"J. Chasse","doi":"10.56530/spectroscopy.je3877t4","DOIUrl":"https://doi.org/10.56530/spectroscopy.je3877t4","url":null,"abstract":"","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89440940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Understanding the Limits of the Bouguer-Beer-Lambert Law 理解布格-比尔-朗伯定律的极限
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.iq2368r9
T. Mayerhöfer, S. Pahlow, Juergen Popp
{"title":"Understanding the Limits of the Bouguer-Beer-Lambert Law","authors":"T. Mayerhöfer, S. Pahlow, Juergen Popp","doi":"10.56530/spectroscopy.iq2368r9","DOIUrl":"https://doi.org/10.56530/spectroscopy.iq2368r9","url":null,"abstract":"The Bouguer-Beer-Lambert law is frequently applied in spectroscopy and spectrophotometry. Often it is assumed that it accurately describes the observed changes induced by light-matter interactions and properly reflects the physical phenomena at play. For most cases, however, this is not true, and issues can arise when the Bouguer-Beer-Lambert law is applied uncritically. In this short article, we will comment on its fundamental limits and their physical background.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73423405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Detection of the Early Fungal Infection of Citrus by Fourier Transform Near-Infrared Spectra 利用傅里叶变换近红外光谱检测柑橘真菌早期侵染
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.dx3267q6
Maopeng Li, Yande Liu, Jun Hu, Cheng Su, Zhen Xu, Huizhen Cui
{"title":"Detection of the Early Fungal Infection of Citrus by Fourier Transform Near-Infrared Spectra","authors":"Maopeng Li, Yande Liu, Jun Hu, Cheng Su, Zhen Xu, Huizhen Cui","doi":"10.56530/spectroscopy.dx3267q6","DOIUrl":"https://doi.org/10.56530/spectroscopy.dx3267q6","url":null,"abstract":"Early fungal infection of citrus is one of the common diseases found during the storage period of citrus, and fungus that infects citrus will spread to the entire batch of citrus as the degree of infection deepens, causing enormous economic losses. Therefore, early detection of fungal infection of citrus is fundamental. The purpose of this study is to explore the qualitative identification of early fungal infections in citrus by using Fourier transform near-infrared (FT-NIR) combined with a variety of chemometric methods. First, discrete wavelet transform (DWT) is used to filter the noise of the spectral signal, then combined with a PLS-DA model, that helps discriminate healthy from infected Citrus. Subsequently, four different feature variable selection methods were introduced, Then, the linear discriminant analysis (LDA) and support vector machine (SVM) two classifiers were combined to establish a qualitative model for the degree of fungal infection. The modeling results show that the SVM modeling effect is better than LDA, and the DWT-CARS-SVM based on the RBF kernel function has the best result, the accuracy rates of the training set and test set are 100% and 97%. The results indicate that FT-NIR spectroscopy, combined with chemometric methods, is able to distinguish early fungal infections in citrus.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85097962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Non-Specific Calibration Combined with Helium Collision Mode for Elemental Screening 结合氦碰撞模式的元素筛选非特异性校准
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.ld6080l6
E. Mccurdy, Peter Riles
{"title":"Non-Specific Calibration Combined with Helium Collision Mode for Elemental Screening","authors":"E. Mccurdy, Peter Riles","doi":"10.56530/spectroscopy.ld6080l6","DOIUrl":"https://doi.org/10.56530/spectroscopy.ld6080l6","url":null,"abstract":"Elemental analysis labs often measure only a small number of elements; for example, the U.S. Food and Drug Administration (FDA) Elemental Analysis Manual (EAM) regulatory method for food analysis by inductively coupled plasma-mass spectrometry (ICP-MS) (EAM 4.7) specifies only 12 trace elements. ICP-MS is a fast, multielement technique that can measure nearly every element in the periodic table and cover a concentration range from ultratrace to major elements. While labs rarely need to quantify all 75 or so elements that ICP-MS can measure, they may benefit from acquiring a more complete picture of the total elemental content of each sample. The amount of useful information that can be extracted from the ICP-MS mass spectrum is dramatically increased when helium (He) collision mode is used to minimize common spectral overlaps. Some ICP-MS instruments can perform a fast, He mode screening acquisition for each sample, combined with non-specific calibration to give semiquantitative concentrations for “all elements”. He mode screening gives access to confirmatory isotopes and detects elements that were not included in the quantitative analysis, providing valuable additional insight into each sample’s composition.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83307838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of pH and Sucralose on the Non-Covalent Interaction of Ovalbumin: FT-IR Analysis pH和三氯蔗糖对卵清蛋白非共价相互作用的影响:FT-IR分析
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.tp5468m7
Agalya Palanisamy, Velusamy Veerappan
{"title":"Impact of pH and Sucralose on the Non-Covalent Interaction of Ovalbumin: FT-IR Analysis","authors":"Agalya Palanisamy, Velusamy Veerappan","doi":"10.56530/spectroscopy.tp5468m7","DOIUrl":"https://doi.org/10.56530/spectroscopy.tp5468m7","url":null,"abstract":"Analysis of pH and cosolvent effects on protein structure is a popular study in food biophysics research since the function of protein is primarily dependent on its structure. The structure-function relationship of protein could be well reflected in changes in non-covalent interactions of protein. In this aspect, the present work deals with the Fourier transform infrared (FT-IR) spectroscopy analysis of ovalbumin (OVA) in different pH conditions with and without cosolvent sucralose (SUC) inclusion. The FT-IR spectrum of proteins provides an absorption spectrum in the frequency region of 4000-400 cm-1. These absorption bands consist of amide A, amide B, and amide I to amide VII. The results are interpreted in terms of noncovalent interactions, such as van der Waals interactions, hydrogen bonds, and hydrophobic and electrostatic interactions. The obtained results indicate that OVA is denatured from its native state against pH and SUC inclusion.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85216813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Brief Look at Optical Diffuse Reflection (ODR) Spectroscopy 光学漫反射(ODR)光谱学简介
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.mj8589f4
Michael L. Myrick, Caitlyn M. English, Zechariah B Kitzhaber
{"title":"A Brief Look at Optical Diffuse Reflection (ODR) Spectroscopy","authors":"Michael L. Myrick, Caitlyn M. English, Zechariah B Kitzhaber","doi":"10.56530/spectroscopy.mj8589f4","DOIUrl":"https://doi.org/10.56530/spectroscopy.mj8589f4","url":null,"abstract":"In this short overview, we consider use cases for diffuse reflection spectroscopy and introduce the Kubelka-Munk diffuse reflectance formula. We conclude by comparing diffuse transmittance, diffuse reflectance, logarithmic transforms of both, and the Kubelka-Munk transform for mid-infrared spectroscopy of the same sample.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87818000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of Shifted-Excitation Raman Difference Spectroscopy and Comparison to Ordinary Portable Raman Spectroscopy in Identification of Seized Drugs 位移激发拉曼差分光谱的评价及与普通便携式拉曼光谱鉴别扣押药品的比较
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.xy6377n5
Ling-yu Zhao, Guo-ping Wu, Yuan-zhao Wu
{"title":"Evaluation of Shifted-Excitation Raman Difference Spectroscopy and Comparison to Ordinary Portable Raman Spectroscopy in Identification of Seized Drugs","authors":"Ling-yu Zhao, Guo-ping Wu, Yuan-zhao Wu","doi":"10.56530/spectroscopy.xy6377n5","DOIUrl":"https://doi.org/10.56530/spectroscopy.xy6377n5","url":null,"abstract":"Rapid and accurate identification and detection of illicit drugs are important for combating drug crimes. As a newly developed technology, shifted-excitation Raman difference spectroscopy (SERDS) can greatly reduce the interference caused by fluorescence and improve the potential of Raman for distinguishing drug compounds in seized samples with fluorescent additives. In this work, 43 random seized drugs were scanned and analyzed by both SERDS and ordinary portable Raman spectrometers for the first time. The detected results of two Raman technologies were confirmed with gas chromatographic mass spectrometry test results, and compared in detail in the aspects of detection rate and matching accuracy. SERDS had significant advantages in eliminating fluorescence interference with a very high detection rate of 93.0%, compared with 53.3% obtained by an ordinary Raman spectrometer, although the ordinary Raman spectrometer analyzed the composition of multi-component mixed samples with higher accuracy. To some extent, the two Raman spectrometers realized functional complementarity, and a rational use of the two types of Raman spectrometers may be of benefit in the rapid detection of seized drugs.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79664691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flexible Stacked Partial Least Squares for Mid-Infrared Spectroscopy Glucose Detection 柔性叠置偏最小二乘中红外光谱葡萄糖检测
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.ww1181l1
Sicong Zhu, H. Gu, Zhushanying Zhang, J. Sa, Dongyun Zheng, Huimin Cao, Q. Xie
{"title":"Flexible Stacked Partial Least Squares for Mid-Infrared Spectroscopy Glucose Detection","authors":"Sicong Zhu, H. Gu, Zhushanying Zhang, J. Sa, Dongyun Zheng, Huimin Cao, Q. Xie","doi":"10.56530/spectroscopy.ww1181l1","DOIUrl":"https://doi.org/10.56530/spectroscopy.ww1181l1","url":null,"abstract":"In this work, we propose a data fusion regression approach for quantitative analysis of glucose using mid-infrared (IR) spectra. First, the approach computes the variable score index. Several submodels are then generated in terms of the index from the calibration set. Finally, the ensembled regression model is created by combining these submodels. In addition, five different regression approaches from the literature are comparatively assessed. Our research shows that one model proposed achieves good performance (with a correlation coefficient of 0.94). our conclusion is that the data fusion model can provide an accurate and robust prediction result for IR glucose measurements.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86831624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Detection of Biomarkers and Cocaine in Fingernails Using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy 衰减全反射傅里叶变换红外光谱法检测指甲中的生物标志物和可卡因
IF 0.5 4区 化学
Spectroscopy Pub Date : 2023-08-01 DOI: 10.56530/spectroscopy.oe1567k3
Megan Wilson, J. Birkett, Iftikhar Khan, Ismail Abbas, Leung Tang, D. Al-Jumeily, S. Assi
{"title":"The Detection of Biomarkers and Cocaine in Fingernails Using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy","authors":"Megan Wilson, J. Birkett, Iftikhar Khan, Ismail Abbas, Leung Tang, D. Al-Jumeily, S. Assi","doi":"10.56530/spectroscopy.oe1567k3","DOIUrl":"https://doi.org/10.56530/spectroscopy.oe1567k3","url":null,"abstract":"Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FT-IR) provides portable and rapid analysis of biomarkers and drugs within fingernails. Fingernails offer a suitable alternative to traditional biological matrices and provide advantages such as non-invasive collection and requiring small sample sizes. This work utilized ATR-FT-IR for detecting biomarkers and cocaine within fingernails. Fingernails were analyzed initially “as received” to identify biomarkers such as carbohydrates, lipids, and proteins over the range 650–4000 cm-1. Spectra were collected for fingernails before and after spiking with cocaine hydrochloride. Measurements were taken at one week and up to six weeks. Principal component analysis (PCA) revealed distinct clusters within the PC scores of cocaine-spiked versus unspiked fingernails. Findings showed that ATR-FT-IR spectroscopy could characterize fingernails based on intrinsic components and identify the presence or absence of cocaine within them.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85395961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信