共查询到17条相似文献,搜索用时 62 毫秒
1.
该文建立了采用近红外光谱法对41种常用药用辅料进行快速、准确、无损鉴别的方法,每个品种6批次样品共得246张光谱,215张用于建立模型,41张用于验证模型。在3 96610 414 cm-1内,使用二阶导数9点平滑光谱预处理方法,结合第一范围标定法建立的"总库1"定性分析模型可准确鉴定30种辅料,其余5大类11种辅料被直接转入"子库2-6"进一步鉴定,直至完全分离。结果表明,对验证集样品鉴别准确度达100%。对比于操作繁琐、费时的传统检测方法,该方法快速、准确,适用于制药企业在原料进厂时逐桶定性鉴别和车间投料的过程控制。 相似文献
2.
近红外漫反射光谱法快速测定混合炸药组分含量 总被引:2,自引:0,他引:2
研究了近红外漫反射技术快速测定混合炸药组分含量的新方法.以偏最小二乘法建立了混合炸药中HMX(A)、复合黏结剂(氟橡胶B 塑料C)、聚四氟乙烯(D)、石蜡(E)5个组分的定标模型,并对模型进行了内部交互验证和外部检验.结果表明,5种模型准确度和精度较高,交互验证相关系数(R)为0.931 1~0.987 4,交互验证均方根(RMSECV)为0.100 ~0.582,预测标准偏差(SEP)为0.069~0.371;t检验也表明新方法与化学法无显著差异.新方法快速、无损,结果可靠. 相似文献
3.
4.
6.
7.
为了测定缬沙坦和辅料十二烷基硫酸钠共存样品中辅料的含量,配制成含有十二烷基硫酸钠含量为0.30%~5.88%的缬沙坦样品共35个。以十二烷基硫酸钠浓度为外扰,分别研究了十二烷基硫酸钠和缬沙坦共存样品的二维相关近红外光谱特征,分别选择随浓度变化大的区间4119~4216 cm-1、4235~4273 cm-1、4312~4351 cm-1、4484~4676 cm-1、5732~5828 cm-1、8132~8323 cm-1为光谱的建模区间,利用偏最小二乘方法建立定量预测模型。结果表明:模型的交叉验证决定系数为0.8670,交叉验证均方根误差(RMSECV)为0.804,预测均方根误差(RMSEP)为0.775,对未知样品集预测结果的平均相对误差为0.25%,这表明二维相关近红外光谱技术选择的波段建立的定量模型具有较好的预测效果。 相似文献
8.
9.
10.
11.
总结了近红外光谱法在汽油分析中的应用.包括:辛烷值、烯烃、芳烃含量、族组成、性和组成、生产控制中的分析和测定以及汽油牌号的识别. 相似文献
12.
近红外光谱技术的定性和定量分析 总被引:3,自引:0,他引:3
近红外光谱(NIR)分析技术具有简便、快捷、低成本、无污染以及不破坏样品等优点,是近年来发展最为迅速的实用分析技术之一.从近红外光谱的原理、特点以及定性分析和定量分析应用方面进行了论述,阐述光谱解析在近红外光谱定性和定量研究中的重要作用. 相似文献
13.
Sang-Ik Han Jong-Hyun Chae Kristin Bilyeu J. Grover Shannon Jeong-Dong Lee 《Journal of the American Oil Chemists' Society》2014,91(2):229-234
Soybean [Glycine max (L.) Merr] with increased oleic acid is desirable to improve oxidative stability and functionality of soybean seed oil. Recently, soybean genotypes with high oleic acid (≥70 %) were developed by breeding programs. Efficient and effective identification of high oleic acid soybean genotypes using non-destructive near infrared reflectance (NIR) on whole seeds would greatly enhance progress in breeding programs. The objective of this study was to develop a calibration equation for NIR determination of high oleic acid from single soybean seeds. A total of 600 intact, single F2 seeds were scanned by NIR. Spectral data were collected between 400 and 2,500 nm at 2 nm intervals. The relationship between NIR spectral patterns of each soybean seed and its oleic acid content was examined. The best predicted equations for oleic acid were selected on the basis of minimizing the standard error of cross-validation and increasing the coefficient of determination. Validation demonstrated that the equations for determining total oleic acid and over 50 % oleic acid content had high predictive ability (r 2 = 0.91 and r 2 = 0.99, respectively). To validate the newly developed equation, F2 seeds from a different genetic background were tested. Again, high oleic acid from single soybean seeds was accurately predicted from various genetic backgrounds. Therefore, applying the calibration equations to NIR will be useful to rapidly and efficiently select high oleic acid soybean genotypes in breeding programs. 相似文献
14.
本文应用漫反射傅立叶变换红外光谱(Diffuse Reflectance Infrared Fourier Transform)法对J-30G高温固化结构胶粘剂与双马来酰亚胺(BMI)胶粘剂的匹配性进行了定性的讨论. 相似文献
15.
Qingkang Wang Huixian Xing Xiangliu Liu Lili Mao Ze Wei Haijun Zhang Liyuan Wang Haoran Wang Muhammad Saeed Guihua Zhang Xianliang Song Xue-Zhen Sun Yanchao Yuan 《Journal of the American Oil Chemists' Society》2020,97(4):331-340
Rapid and accurate analysis of cottonseed protein content and the composition of fatty acids (especially, saturated fatty acids) is often required in cotton production and breeding programs. This study aimed to establish a set of effective estimation models for these parameters. Near infrared reflectance spectroscopy (NIRS) calibration equations using partial least-squares regression for protein concentration, oil concentration, and five fatty acids of shell-intact cottonseeds were established based on 90 varieties, and the prediction abilities of the calibration models were verified using 45 other varieties. The prediction abilities of the NIRS calibration equations were basically consistent with external validation results. Each equation was assessed based on the ratio of performance to deviation (RPDp). Protein content and seed total fatty acid (STA) content had high RPDp values (3.687 and 3.530, respectively), whereas cottonseed kernel total fatty acid (KTA) content, linoleic acid (18:2), stearic acid (18:0), myristic acid (14:0), and palmitic acid (16:0) exhibited relatively high RPDp (2.866, 2.836, 2.697, 2.676, and 2.506, respectively). The calibration model for oleic acid (18:1) had a low RPDp (1.945). The results indicated that NIRS can be used to rapidly determine contents of STA, KTA, protein, stearic acid (18:0), myristic acid (14:0), and palmitic acid (16:0) in shell-intact cottonseed. 相似文献
16.
建立了基于近红外漫反射光谱快速检测某固态含能混合材料中黑索金(RDX)的方法。采集与制备样本共159批次。对比各纯组分光谱确定预选波段。与光谱预处理方法随机组合建立各种偏最小二乘模型。交叉检验均方根误差(RMSECV)、RMSECV/维数曲线确定最优模型。对最优模型评估表明,预测标准差0.50,平均绝对偏差0.41,子模型一致性好,说明方法较准确;残留预测偏差4.20,说明该方法对质量分数为50%~60%的样品具较好分辨力;t检验显示,两方法无显著性系统误差;该方法重复测量精确性优于化学法。两方法相比,该方法精确性更好,环保,节省人力、材料成本。 相似文献
17.
近红外光谱分析技术在石油化工中的应用 总被引:1,自引:0,他引:1
介绍近红外光谱分析技术的工作原理、光谱的预处理方法、定量分析方法、定性分析方法,综述了近红外光谱分析技术在石油化工领域中的应用现状,并对目前近红外光谱分析技术的发展方向作了简单的评论。 相似文献