首页 > 最新文献

International Journal of Spectroscopy最新文献

英文 中文
Orientation of 2,6-Dicarbethoxy-3,5-bis(pyridine-3-yl)tetrahydro-1,4-thiazine-1,1-dioxide on Silver Nanoparticles: Surface-Enhanced Raman Spectral Studies 2,6-二乙氧基-3,5-二(吡啶-3-基)四氢-1,4-噻嗪-1,1-二在银纳米粒子上的取向:表面增强拉曼光谱研究
Pub Date : 2014-02-06 DOI: 10.1155/2014/175023
M. Anuratha, A. Jawahar, M. Umadevi, N. Edayadulla, V. Sathe, V. Meenakumari, A. M. Benial
Silver nanoparticles were synthesized using solution combustion method with citric acid as fuel. The prepared silver nanoparticles exhibit fcc crystalline structure with particle size of ~50 nm. The morphology and purity of the silver nanoparticles were also studied by high-resolution transmission electron microscopy (HRTEM) and energy dispersive X-ray analysis (EDX). Surface-enhanced Raman scattering (SERS) spectra of 2,6-dicarbethoxy-3,5-bis(pyridine-3-yl)tetrahydro-1,4-thiazine-1,1-dioxide (DBTD) adsorbed on silver nanoparticles were investigated. Orientation of DBTD on silver nanoparticles has been inferred from normal Raman spectrum (nRs) and SERS spectral feature. The observed spectral feature evidenced that DBTD would adsorb on silver surface with tilted orientation through the lone pair electrons of C–N, C=O, S=O, and pyridine ring. The present investigation has been a model system to deduce the interaction of drugs with DNA.
以柠檬酸为燃料,采用溶液燃烧法制备了纳米银。制备的银纳米颗粒呈fcc晶体结构,粒径为~50 nm。利用高分辨率透射电子显微镜(HRTEM)和能量色散x射线分析(EDX)对纳米银的形貌和纯度进行了研究。研究了2,6-二乙氧基-3,5-二(吡啶-3-基)四氢-1,4-噻嗪-1,1-二氧基(DBTD)吸附在银纳米粒子上的表面增强拉曼散射(SERS)光谱。利用正常拉曼光谱和SERS光谱特征推测了DBTD在银纳米颗粒上的取向。光谱特征表明,DBTD通过C - n、C=O、S=O和吡啶环的孤对电子在倾斜取向的银表面吸附。目前的研究是一个模型系统来推断药物与DNA的相互作用。
{"title":"Orientation of 2,6-Dicarbethoxy-3,5-bis(pyridine-3-yl)tetrahydro-1,4-thiazine-1,1-dioxide on Silver Nanoparticles: Surface-Enhanced Raman Spectral Studies","authors":"M. Anuratha, A. Jawahar, M. Umadevi, N. Edayadulla, V. Sathe, V. Meenakumari, A. M. Benial","doi":"10.1155/2014/175023","DOIUrl":"https://doi.org/10.1155/2014/175023","url":null,"abstract":"Silver nanoparticles were synthesized using solution combustion method with citric acid as fuel. The prepared silver nanoparticles exhibit fcc crystalline structure with particle size of ~50 nm. The morphology and purity of the silver nanoparticles were also studied by high-resolution transmission electron microscopy (HRTEM) and energy dispersive X-ray analysis (EDX). Surface-enhanced Raman scattering (SERS) spectra of 2,6-dicarbethoxy-3,5-bis(pyridine-3-yl)tetrahydro-1,4-thiazine-1,1-dioxide (DBTD) adsorbed on silver nanoparticles were investigated. Orientation of DBTD on silver nanoparticles has been inferred from normal Raman spectrum (nRs) and SERS spectral feature. The observed spectral feature evidenced that DBTD would adsorb on silver surface with tilted orientation through the lone pair electrons of C–N, C=O, S=O, and pyridine ring. The present investigation has been a model system to deduce the interaction of drugs with DNA.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"32 1","pages":"1-8"},"PeriodicalIF":0.0,"publicationDate":"2014-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85299045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
A Validated Method for the Quantitation of Ciprofloxacin Hydrochloride Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy 漫反射红外傅里叶变换光谱法定量盐酸环丙沙星的验证方法
Pub Date : 2014-02-05 DOI: 10.1155/2014/294612
B. Bhongade, Sirajunisa Talath, S. Dhaneshwar
A quantitative method using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) was developed and validated for the estimation of ciprofloxacin in its tablet dosage forms. The solid-state samples were prepared by dilution in dry potassium bromide and were analyzed by FTIR spectrophotometer with DRIFT sampling technique. A linear relationship for the carbonyl peak area centered around 1709 cm−1 was observed in the range of 0.3–1.5% w/w with good correlation coefficient of 0.998. The percent recovery of ciprofloxacin in three marketed tablet dosage forms was in the range of 98.76 ± 0.27. The present reported method is precise, reproducible, and eco-friendly. DRIFTS may have a potential as an alternative method for qualitative and quantitative analysis of ciprofloxacin in bulk drugs and tablet dosage forms.
建立了漫反射红外傅里叶变换光谱(DRIFTS)定量测定环丙沙星片剂含量的方法,并进行了验证。在干溴化钾中稀释制备固态样品,采用漂移取样技术,用FTIR分光光度计对样品进行分析。羰基峰面积以1709 cm−1为中心在0.3 ~ 1.5% w/w范围内呈良好的线性关系,相关系数为0.998。3种市售片剂中环丙沙星的回收率为98.76±0.27。本方法精确、可重复性好、生态友好。DRIFTS可能有潜力作为对原料药和片剂剂型中的环丙沙星进行定性和定量分析的替代方法。
{"title":"A Validated Method for the Quantitation of Ciprofloxacin Hydrochloride Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy","authors":"B. Bhongade, Sirajunisa Talath, S. Dhaneshwar","doi":"10.1155/2014/294612","DOIUrl":"https://doi.org/10.1155/2014/294612","url":null,"abstract":"A quantitative method using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) was developed and validated for the estimation of ciprofloxacin in its tablet dosage forms. The solid-state samples were prepared by dilution in dry potassium bromide and were analyzed by FTIR spectrophotometer with DRIFT sampling technique. A linear relationship for the carbonyl peak area centered around 1709 cm−1 was observed in the range of 0.3–1.5% w/w with good correlation coefficient of 0.998. The percent recovery of ciprofloxacin in three marketed tablet dosage forms was in the range of 98.76 ± 0.27. The present reported method is precise, reproducible, and eco-friendly. DRIFTS may have a potential as an alternative method for qualitative and quantitative analysis of ciprofloxacin in bulk drugs and tablet dosage forms.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"3 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2014-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89106569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 25
Development and Validation of Spectrophotometric Methods for Simultaneous Estimation of Valsartan and Hydrochlorothiazide in Tablet Dosage Form 分光光度法同时测定片剂中缬沙坦和氢氯噻嗪含量的建立与验证
Pub Date : 2014-01-09 DOI: 10.1155/2014/873819
M. Jadhav, M. V. Girase, Shripad K. Tidme, M. S. Junagade
Two UV-spectrophotometric methods have been developed and validated for simultaneous estimation of valsartan and hydrochlorothiazide in a tablet dosage form. The first method employed solving of simultaneous equations based on the measurement of absorbance at two wavelengths, 249.4 nm and 272.6 nm, for valsartan and hydrochlorothiazide, respectively. The second method was absorbance ratio method, which involves formation of Q-absorbance equation at 258.4 nm (isoabsorptive point) and also at 272.6 nm ( of hydrochlorothiazide). The methods were found to be linear between the range of 5–30 µg/mL for valsartan and 4–24 μg/mL for hydrochlorothiazide using 0.1 N NaOH as solvent. The mean percentage recovery was found to be 100.20% and 100.19% for the simultaneous equation method and 98.56% and 97.96% for the absorbance ratio method, for valsartan and hydrochlorothiazide, respectively, at three different levels of standard additions. The precision (intraday, interday) of methods was found within limits (). It could be concluded from the results obtained in the present investigation that the two methods for simultaneous estimation of valsartan and hydrochlorothiazide in tablet dosage form are simple, rapid, accurate, precise and economical and can be used, successfully, in the quality control of pharmaceutical formulations and other routine laboratory analysis.
建立并验证了两种紫外分光光度法同时测定片剂剂型缬沙坦和氢氯噻嗪的含量。第一种方法采用求解联立方程的方法,分别测量缬沙坦和氢氯噻嗪在249.4 nm和272.6 nm两个波长处的吸光度。第二种方法是吸光度比法,在258.4 nm处(等吸收点)和272.6 nm处(氢氯噻嗪)建立q -吸光度方程。以0.1 N NaOH为溶剂,缬沙坦的测定范围为5 ~ 30 μg/mL,氢氯噻嗪的测定范围为4 ~ 24 μg/mL。缬沙坦和氢氯噻嗪在三种不同添加水平下,联立方程法的平均回收率分别为100.20%和100.19%,吸光度法的平均回收率分别为98.56%和97.96%。方法的精确度(日内、日间)均在限定范围内()。本研究结果表明,同时测定缬沙坦和氢氯噻嗪片剂剂型的方法简便、快速、准确、精密度高、经济,可成功地用于制剂的质量控制和其他常规实验室分析。
{"title":"Development and Validation of Spectrophotometric Methods for Simultaneous Estimation of Valsartan and Hydrochlorothiazide in Tablet Dosage Form","authors":"M. Jadhav, M. V. Girase, Shripad K. Tidme, M. S. Junagade","doi":"10.1155/2014/873819","DOIUrl":"https://doi.org/10.1155/2014/873819","url":null,"abstract":"Two UV-spectrophotometric methods have been developed and validated for simultaneous estimation of valsartan and hydrochlorothiazide in a tablet dosage form. The first method employed solving of simultaneous equations based on the measurement of absorbance at two wavelengths, 249.4 nm and 272.6 nm, for valsartan and hydrochlorothiazide, respectively. The second method was absorbance ratio method, which involves formation of Q-absorbance equation at 258.4 nm (isoabsorptive point) and also at 272.6 nm ( of hydrochlorothiazide). The methods were found to be linear between the range of 5–30 µg/mL for valsartan and 4–24 μg/mL for hydrochlorothiazide using 0.1 N NaOH as solvent. The mean percentage recovery was found to be 100.20% and 100.19% for the simultaneous equation method and 98.56% and 97.96% for the absorbance ratio method, for valsartan and hydrochlorothiazide, respectively, at three different levels of standard additions. The precision (intraday, interday) of methods was found within limits (). It could be concluded from the results obtained in the present investigation that the two methods for simultaneous estimation of valsartan and hydrochlorothiazide in tablet dosage form are simple, rapid, accurate, precise and economical and can be used, successfully, in the quality control of pharmaceutical formulations and other routine laboratory analysis.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"23 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2014-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74534308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 16
Intermolecular Interactions between Eosin Y and Caffeine Using 1H-NMR Spectroscopy. 伊红Y与咖啡因分子间相互作用的1H-NMR研究。
Pub Date : 2013-12-31 DOI: 10.1155/2013/245376
Macduff O Okuom, Mark V Wilson, Abby Jackson, Andrea E Holmes

DETECHIP has been used in testing analytes including caffeine, cocaine, and tetrahydrocannabinol (THC) from marijuana, as well as date rape and club drugs such as flunitrazepam, gamma-hydroxybutyric acid (GHB), and methamphetamine. This study investigates the intermolecular interaction between DETECHIP sensor eosin Y (DC1) and the analyte (caffeine) that is responsible for the fluorescence and color changes observed in the actual array. Using 1H-NMR, 1H-COSY, and 1H-DOSY NMR methods, a proton exchange from C-8 of caffeine to eosin Y is proposed.

DETECHIP已被用于检测分析物,包括咖啡因、可卡因和大麻中的四氢大麻酚(THC),以及约会强奸和俱乐部毒品,如氟西泮、γ -羟基丁酸(GHB)和甲基苯丙胺。本研究探讨了DETECHIP传感器伊红Y (DC1)和分析物(咖啡因)之间的分子间相互作用,这是在实际阵列中观察到的荧光和颜色变化的原因。利用1H-NMR、1H-COSY和1H-DOSY NMR方法,提出了从咖啡因的C-8到伊红Y的质子交换。
{"title":"Intermolecular Interactions between Eosin Y and Caffeine Using <sup>1</sup>H-NMR Spectroscopy.","authors":"Macduff O Okuom,&nbsp;Mark V Wilson,&nbsp;Abby Jackson,&nbsp;Andrea E Holmes","doi":"10.1155/2013/245376","DOIUrl":"https://doi.org/10.1155/2013/245376","url":null,"abstract":"<p><p>DETECHIP has been used in testing analytes including caffeine, cocaine, and tetrahydrocannabinol (THC) from marijuana, as well as date rape and club drugs such as flunitrazepam, gamma-hydroxybutyric acid (GHB), and methamphetamine. This study investigates the intermolecular interaction between DETECHIP sensor eosin Y (DC1) and the analyte (caffeine) that is responsible for the fluorescence and color changes observed in the actual array. Using <sup>1</sup>H-NMR, <sup>1</sup>H-COSY, and <sup>1</sup>H-DOSY NMR methods, a proton exchange from C-8 of caffeine to eosin Y is proposed.</p>","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"2013 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2013-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2013/245376","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32501277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 12
Sequential Spectrophotometric Method for the Simultaneous Determination of Amlodipine, Valsartan, and Hydrochlorothiazide in Coformulated Tablets 序贯分光光度法同时测定复方片中氨氯地平、缬沙坦和氢氯噻嗪的含量
Pub Date : 2013-12-15 DOI: 10.1155/2013/273102
H. Darwish, S. Hassan, M. Salem, B. El-Zeany
A new, simple and specific spectrophotometric method was developed and validated in accordance with ICH guidelines for the simultaneous estimation of Amlodipine (AML), Valsartan (VAL), and Hydrochlorothiazide (HCT) in their ternary mixture. In this method three techniques were used, namely, direct spectrophotometry, ratio subtraction, and isoabsorptive point. Amlodipine (AML) was first determined by direct spectrophotometry and then ratio subtraction was applied to remove the AML spectrum from the mixture spectrum. Hydrochlorothiazide (HCT) could then be determined directly without interference from Valsartan (VAL) which could be determined using the isoabsorptive point theory. The calibration curve is linear over the concentration ranges of 4–32, 4–44 and 6–20 μg/mL for AML, VAL, and HCT, respectively. This method was tested by analyzing synthetic mixtures of the above drugs and was successfully applied to commercial pharmaceutical preparation of the drugs, where the standard deviation is <2 in the assay of raw materials and tablets. The method was validated according to the ICH guidelines and accuracy, precision, repeatability, and robustness were found to be within the acceptable limits.
根据ICH指南,建立了一种新的、简单的、特异性的分光光度法,用于同时测定氨氯地平(AML)、缬沙坦(VAL)和氢氯噻嗪(HCT)三元混合物中的含量。该方法采用了直接分光光度法、比例减法和等吸收点法。首先用直接分光光度法测定氨氯地平(AML),然后用比例减法将AML光谱从混合光谱中去除。氢氯噻嗪(HCT)可以直接测定,不受缬沙坦(VAL)的干扰,缬沙坦可以用等吸收点理论测定。AML、VAL和HCT分别在4 ~ 32、4 ~ 44和6 ~ 20 μg/mL的浓度范围内呈线性关系。通过对上述药物的合成混合物进行分析,验证了该方法的有效性,并成功地应用于该药物的商业制剂中,其原料药和片剂的测定标准偏差<2。方法按照ICH指南进行验证,准确度、精密度、重复性和稳健性均在可接受范围内。
{"title":"Sequential Spectrophotometric Method for the Simultaneous Determination of Amlodipine, Valsartan, and Hydrochlorothiazide in Coformulated Tablets","authors":"H. Darwish, S. Hassan, M. Salem, B. El-Zeany","doi":"10.1155/2013/273102","DOIUrl":"https://doi.org/10.1155/2013/273102","url":null,"abstract":"A new, simple and specific spectrophotometric method was developed and validated in accordance with ICH guidelines for the simultaneous estimation of Amlodipine (AML), Valsartan (VAL), and Hydrochlorothiazide (HCT) in their ternary mixture. In this method three techniques were used, namely, direct spectrophotometry, ratio subtraction, and isoabsorptive point. Amlodipine (AML) was first determined by direct spectrophotometry and then ratio subtraction was applied to remove the AML spectrum from the mixture spectrum. Hydrochlorothiazide (HCT) could then be determined directly without interference from Valsartan (VAL) which could be determined using the isoabsorptive point theory. The calibration curve is linear over the concentration ranges of 4–32, 4–44 and 6–20 μg/mL for AML, VAL, and HCT, respectively. This method was tested by analyzing synthetic mixtures of the above drugs and was successfully applied to commercial pharmaceutical preparation of the drugs, where the standard deviation is <2 in the assay of raw materials and tablets. The method was validated according to the ICH guidelines and accuracy, precision, repeatability, and robustness were found to be within the acceptable limits.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"319 1","pages":"1-8"},"PeriodicalIF":0.0,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75838856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 18
Infrared Spectroscopic Characterization of CIT-6 and a Family of *BEA Zeolites CIT-6和一类*BEA沸石的红外光谱表征
Pub Date : 2013-10-24 DOI: 10.1155/2013/961404
S. Tomlinson, Tyler McGown, J. Schlup, J. Anthony
Infrared spectroscopy is known to be a useful tool for identifying local structure changes in zeolites. Infrared spectroscopy is often employed to complement X-ray diffraction data. Local structure changes in zeolite CIT-6 and its zeolite beta (*BEA) analogs caused by calcination, altering framework composition, and ion exchange have been identified with mid- and far-infrared spectroscopy. Differences in the local structures of the samples were observed in mid- and far-infrared spectra, including changes in the intratetrahedral asymmetric stretch, the double-ring mode, and the intratetrahedral bending mode regions. The infrared spectra indicate that calcination or acetic acid extraction changed the structure of CIT-6 to that of zeolite beta (*BEA). Zinc ion exchange or the substitution of aluminum into the framework structure of acetic acid extracted samples retained the CIT-6 structure.
众所周知,红外光谱是识别沸石局部结构变化的有用工具。红外光谱学常被用来补充x射线衍射数据。利用中、远红外光谱技术鉴定了CIT-6分子筛及其沸石β (*BEA)类似物在煅烧、框架组成改变和离子交换作用下的局部结构变化。在中、远红外光谱中观察到样品局部结构的差异,包括四面体内不对称拉伸、双环模式和四面体内弯曲模式区域的变化。红外光谱分析表明,煅烧或醋酸萃取使CIT-6的结构转变为沸石(*BEA)的结构。锌离子交换或铝取代成框架结构后,乙酸提取的样品保留了CIT-6结构。
{"title":"Infrared Spectroscopic Characterization of CIT-6 and a Family of *BEA Zeolites","authors":"S. Tomlinson, Tyler McGown, J. Schlup, J. Anthony","doi":"10.1155/2013/961404","DOIUrl":"https://doi.org/10.1155/2013/961404","url":null,"abstract":"Infrared spectroscopy is known to be a useful tool for identifying local structure changes in zeolites. Infrared spectroscopy is often employed to complement X-ray diffraction data. Local structure changes in zeolite CIT-6 and its zeolite beta (*BEA) analogs caused by calcination, altering framework composition, and ion exchange have been identified with mid- and far-infrared spectroscopy. Differences in the local structures of the samples were observed in mid- and far-infrared spectra, including changes in the intratetrahedral asymmetric stretch, the double-ring mode, and the intratetrahedral bending mode regions. The infrared spectra indicate that calcination or acetic acid extraction changed the structure of CIT-6 to that of zeolite beta (*BEA). Zinc ion exchange or the substitution of aluminum into the framework structure of acetic acid extracted samples retained the CIT-6 structure.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"24 1","pages":"158-164"},"PeriodicalIF":0.0,"publicationDate":"2013-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74539139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
A Simulation Study of the Far-Infrared Absorption Spectra of HCl Diluted in Liquid Ar 盐酸在氩气中稀释的远红外吸收光谱模拟研究
Pub Date : 2013-09-24 DOI: 10.1155/2013/485432
A. Padilla, J. Pérez
The far-infrared absorption coefficient of HCl diluted in liquid Ar has been calculated by using a mixed classical-quantum stochastic simulation approach. The simulated spectra have been compared with the available experimental data at different thermodynamic conditions without using ad hoc fitting parameters. Despite the fact that some discrepancies can be observed in the high frequency side of the far-infrared bands, a reasonable agreement has been found between the theoretical and the experimental spectral profiles. Both, classical and quantum simulated line shapes were comparatively analyzed, determining the time scales involved in the rotational spectra.
用经典-量子混合随机模拟方法计算了盐酸在氩溶液中的远红外吸收系数。在不使用特别拟合参数的情况下,将模拟光谱与现有实验数据进行了比较。尽管在远红外波段的高频部分可以观察到一些差异,但在理论和实验光谱曲线之间已经发现了一个合理的一致。比较分析了经典和量子模拟线形,确定了旋转光谱涉及的时间尺度。
{"title":"A Simulation Study of the Far-Infrared Absorption Spectra of HCl Diluted in Liquid Ar","authors":"A. Padilla, J. Pérez","doi":"10.1155/2013/485432","DOIUrl":"https://doi.org/10.1155/2013/485432","url":null,"abstract":"The far-infrared absorption coefficient of HCl diluted in liquid Ar has been calculated by using a mixed classical-quantum stochastic simulation approach. The simulated spectra have been compared with the available experimental data at different thermodynamic conditions without using ad hoc fitting parameters. Despite the fact that some discrepancies can be observed in the high frequency side of the far-infrared bands, a reasonable agreement has been found between the theoretical and the experimental spectral profiles. Both, classical and quantum simulated line shapes were comparatively analyzed, determining the time scales involved in the rotational spectra.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"7 1","pages":"1-8"},"PeriodicalIF":0.0,"publicationDate":"2013-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84749209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Resolution of Ternary Mixture of Aspirin, Atorvastatin, and Clopidogrel by Chemometric-Assisted UV Spectroscopic and Liquid Chromatography Methods 化学计量辅助紫外光谱和液相色谱法分离阿司匹林、阿托伐他汀和氯吡格雷三元混合物
Pub Date : 2013-09-22 DOI: 10.1155/2013/726820
M. Issa, R. M. Nejem, A. A. Shanab, Raluca-Ioana Stefan-van Staden
Two chemometrics-assisted UV spectrophotometric methods were proposed for the resolution of ternary mixtures without any chemical pretreatment. The first method is based on modification of H-point standard addition method which permits simultaneous analysis of three species from a unique calibration set by making the simultaneous addition of the three analytes. Quotient between the spectra of aspirin, atorvastatin, and clopidogrel was obtained and the results showed that simultaneous determination of aspirin, atorvastatin, and clopidogrel can be obeyed in the linear range 2.5–20 μg mL−1 of aspirin, 2.5–17.5 μg mL−1 of atorvastatin, and 2.5–20 μg mL−1 of clopidogrel in ternary mixture. The second method is based on the combination of the first derivative spectra and Cramer's matrix rule. In the matrix calculation, clopidogrel has zero crossing point at 316.8 and 212 nm, while for atorvastatin the zero crossing point at 250 nm where the matrix is greatly simplified and easily solved. The linear concentration ranges were 2.5–20 μg mL−1 aspirin, 2.5–17.5 μg mL−1 atorvastatin and 2.5–20 μg mL−1 clopidogrel in ternary mixtures. The results proved that the simultaneous determination of aspirin, atorvastatin, and clopidogrel could be obeyed. Both methods were applied for capsules containing the three ingredients and results were in good concordance with alternative liquid chromatography.
提出了两种化学计量辅助紫外分光光度法在不进行化学预处理的情况下对三元混合物进行分离的方法。第一种方法是基于h点标准添加法的改进,通过同时添加三种分析物,允许同时分析来自一个独特校准集的三种物质。得到阿司匹林、阿托伐他汀和氯吡格雷的光谱商,结果表明阿司匹林、阿托伐他汀和氯吡格雷在阿司匹林2.5 ~ 20 μ mL−1、阿托伐他汀2.5 ~ 17.5 μ mL−1和氯吡格雷2.5 ~ 20 μ mL−1的线性范围内可以同时测定。第二种方法是基于一阶导数谱和克拉默矩阵规则的结合。在矩阵计算中,氯吡格雷在316.8 nm和212 nm处有零点交叉点,而阿托伐他汀在250 nm处有零点交叉点,矩阵大大简化,易于求解。线性浓度范围为阿司匹林2.5 ~ 20 μ mL−1、阿托伐他汀2.5 ~ 17.5 μ mL−1、氯吡格雷2.5 ~ 20 μ mL−1。结果表明,阿司匹林、阿托伐他汀、氯吡格雷的同时测定是可以遵守的。两种方法均适用于含三种成分的胶囊,结果与替代液相色谱法一致。
{"title":"Resolution of Ternary Mixture of Aspirin, Atorvastatin, and Clopidogrel by Chemometric-Assisted UV Spectroscopic and Liquid Chromatography Methods","authors":"M. Issa, R. M. Nejem, A. A. Shanab, Raluca-Ioana Stefan-van Staden","doi":"10.1155/2013/726820","DOIUrl":"https://doi.org/10.1155/2013/726820","url":null,"abstract":"Two chemometrics-assisted UV spectrophotometric methods were proposed for the resolution of ternary mixtures without any chemical pretreatment. The first method is based on modification of H-point standard addition method which permits simultaneous analysis of three species from a unique calibration set by making the simultaneous addition of the three analytes. Quotient between the spectra of aspirin, atorvastatin, and clopidogrel was obtained and the results showed that simultaneous determination of aspirin, atorvastatin, and clopidogrel can be obeyed in the linear range 2.5–20 μg mL−1 of aspirin, 2.5–17.5 μg mL−1 of atorvastatin, and 2.5–20 μg mL−1 of clopidogrel in ternary mixture. The second method is based on the combination of the first derivative spectra and Cramer's matrix rule. In the matrix calculation, clopidogrel has zero crossing point at 316.8 and 212 nm, while for atorvastatin the zero crossing point at 250 nm where the matrix is greatly simplified and easily solved. The linear concentration ranges were 2.5–20 μg mL−1 aspirin, 2.5–17.5 μg mL−1 atorvastatin and 2.5–20 μg mL−1 clopidogrel in ternary mixtures. The results proved that the simultaneous determination of aspirin, atorvastatin, and clopidogrel could be obeyed. Both methods were applied for capsules containing the three ingredients and results were in good concordance with alternative liquid chromatography.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"68 1","pages":"130-137"},"PeriodicalIF":0.0,"publicationDate":"2013-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88680824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 11
Spectrophotometric Simultaneous Determination of Salbutamol Sulfate and Ketotifen Fumarate in Combined Tablet Dosage Form by First-Order Derivative Spectroscopy Method 一阶导数光谱法同时测定复方片剂中硫酸沙丁胺醇和富马酸酮替芬的含量
Pub Date : 2013-09-01 DOI: 10.1155/2013/589218
Parth Joshi, S. Parmar, B. Patel
Salbutamol sulfate and ketotifen fumarate are used in combination for the treatment of asthma. The present work deals with method development for simultaneous estimation of salbutamol sulfate and ketotifen fumarate in two-component tablet formulation by first-order derivative spectroscopy. For determination of sampling wavelength, 10 μg/mL of each of salbutamol and ketotifen was scanned in 200–400 nm ranges and sampling wavelengths were found to be 257 nm for salbutamol and 278 nm for ketotifen in first-order derivative spectroscopy. In this method, linearity was observed in the ranges of 5–45 μg/mL for salbutamol and 5–35 μg/mL for ketotifen. The % recovery was within the range between 98 and 102%, and % relative standard deviation for precision and accuracy of the method was found to be less than 2%. The method is validated as per international conference on harmonization guidelines. The method can be successfully applied for the simultaneous analysis of both drugs in pharmaceutical dosage forms.
硫酸沙丁胺醇和富马酸酮替芬联合用于治疗哮喘。建立了一阶导数光谱法同时测定硫酸沙丁胺醇和富马酸酮替芬双组份片剂中含量的方法。在200 ~ 400 nm范围内扫描沙丁胺醇和酮替芬各10 μg/mL,一阶导数光谱法测得沙丁胺醇和酮替芬的采样波长分别为257 nm和278 nm。沙丁胺醇在5 ~ 45 μg/mL、酮替芬在5 ~ 35 μg/mL范围内呈线性。回收率在98 ~ 102%之间,精密度和准确度的相对标准偏差小于2%。该方法根据国际协调准则会议进行了验证。该方法可成功地应用于两种药物剂型的同时分析。
{"title":"Spectrophotometric Simultaneous Determination of Salbutamol Sulfate and Ketotifen Fumarate in Combined Tablet Dosage Form by First-Order Derivative Spectroscopy Method","authors":"Parth Joshi, S. Parmar, B. Patel","doi":"10.1155/2013/589218","DOIUrl":"https://doi.org/10.1155/2013/589218","url":null,"abstract":"Salbutamol sulfate and ketotifen fumarate are used in combination for the treatment of asthma. The present work deals with method development for simultaneous estimation of salbutamol sulfate and ketotifen fumarate in two-component tablet formulation by first-order derivative spectroscopy. For determination of sampling wavelength, 10 μg/mL of each of salbutamol and ketotifen was scanned in 200–400 nm ranges and sampling wavelengths were found to be 257 nm for salbutamol and 278 nm for ketotifen in first-order derivative spectroscopy. In this method, linearity was observed in the ranges of 5–45 μg/mL for salbutamol and 5–35 μg/mL for ketotifen. The % recovery was within the range between 98 and 102%, and % relative standard deviation for precision and accuracy of the method was found to be less than 2%. The method is validated as per international conference on harmonization guidelines. The method can be successfully applied for the simultaneous analysis of both drugs in pharmaceutical dosage forms.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"36 2 1","pages":"102-107"},"PeriodicalIF":0.0,"publicationDate":"2013-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83779637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Laser Induced Spectra of SiN Molecule in Near IR Region 近红外区SiN分子的激光诱导光谱
Pub Date : 2013-08-29 DOI: 10.1155/2013/915365
K. Ojha, R. Gopal
Laser-induced spectra of SiN molecule are recorded in the region of 670–1060 nm using laser-induced spectroscopy technique and about 80 bands are observed. Out of total 80 bands, 49 bands are attributed to F-B system and the rest 27 bands are analyzed into J-D system. The rest 18 bands are unidentified. The molecular constant of the , , and states is determined and reported.
利用激光诱导光谱技术,在670 ~ 1060nm范围内记录了SiN分子的激光诱导光谱,共观察到约80个谱带。在80个波段中,49个波段归为F-B系统,其余27个波段归为J-D系统。其余的18个波段是未知的。确定并报告了分子、、和状态的常数。
{"title":"Laser Induced Spectra of SiN Molecule in Near IR Region","authors":"K. Ojha, R. Gopal","doi":"10.1155/2013/915365","DOIUrl":"https://doi.org/10.1155/2013/915365","url":null,"abstract":"Laser-induced spectra of SiN molecule are recorded in the region of 670–1060 nm using laser-induced spectroscopy technique and about 80 bands are observed. Out of total 80 bands, 49 bands are attributed to F-B system and the rest 27 bands are analyzed into J-D system. The rest 18 bands are unidentified. The molecular constant of the <path id=\"x42\" d=\"M372 352v-2q176 -27 176 -159q0 -99 -95 -151q-73 -40 -196 -40h-221v28q65 5 78.5 19t13.5 76v404q0 63 -12 77t-72 18v28h257q102 0 150 -34q26 -18 41 -48.5t15 -65.5q0 -111 -135 -150zM213 362h47q80 0 117.5 32t37.5 96q0 56 -33 92t-100 36q-41 0 -56 -10\u0000q-13 -8 -13 -50v-196zM213 328v-203q0 -54 17 -72.5t66 -18.5q67 1 110.5 37t43.5 110q0 147 -192 147h-45z\" /> , <path id=\"x44\" d=\"M43 650h280q194 0 282 -85q85 -82 85 -215q0 -173 -123 -267q-107 -83 -297 -83h-236v27q65 5 79.5 19.5t14.5 77.5v402q0 45 -6 62.5t-21.5 24t-57.5 9.5v28zM213 547v-416q0 -55 24.5 -75t81.5 -20q133 0 203 86t70 214q0 80 -30 143t-88 97q-66 41 -170 41\u0000q-62 0 -78 -13q-13 -9 -13 -57z\" /> , <path id=\"x46\" d=\"M493 503l-29 -4q-13 56 -28 80q-13 22 -35.5 29.5t-78.5 7.5h-76q-22 0 -27.5 -5t-5.5 -27v-238h103q66 0 82.5 12t25.5 62h29v-193h-29q-9 54 -25.5 67t-82.5 13h-103v-181q0 -64 15 -78.5t84 -19.5v-28h-272v28q61 5 74.5 19.5t13.5 78.5v399q0 64 -13 78t-72 19v28\u0000h440q1 -40 10 -147z\" /> and states is determined and reported.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"513 1","pages":"1-5"},"PeriodicalIF":0.0,"publicationDate":"2013-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78848511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
期刊
International Journal of Spectroscopy
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
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
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1