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使用傅里叶变换红外光谱法快速检测和定量铁氰化物络合物

Quick detection and quantification of iron-cyanide complexes using fourier transform infrared spectroscopy.

作者信息

Sut-Lohmann Magdalena, Raab Thomas

机构信息

Chair of Geopedology and Landscape Development, Brandenburg University of Technology, Siemens-Halske-Ring 8, 03046 Cottbus, Germany.

Chair of Geopedology and Landscape Development, Brandenburg University of Technology, Siemens-Halske-Ring 8, 03046 Cottbus, Germany.

出版信息

Environ Pollut. 2017 Aug;227:64-72. doi: 10.1016/j.envpol.2017.04.052. Epub 2017 Apr 28.

DOI:10.1016/j.envpol.2017.04.052
PMID:28458247
Abstract

The continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze a considerable amount of samples. Conventional flow injection analysis (FIA) is a time and cost consuming method for cyanide (CN) determination. Thus, a rapid and economic alternative needs to be developed to quantify the Fe-CN complexes. 52 soil samples were collected at a former Manufactured Gas Plant (MGP) site in order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS). Soil analysis revealed CN concentrations in a range from 8 to 14.809 mg kg, where 97% was in the solid form (Fe[Fe(CN)]), which is characterized by a single symmetrical CN band in the range 2092-2084 cm. The partial least squares (PLS) calibration-validation model revealed IR response to CN which exceeds 2306 mg kg (limit of detection, LOD). Leave-one-out cross-validation (LOO-CV) was performed on soil samples, which contained low CN (<900 mg kg). This improved the sensitivity of the model by reducing the LOD to 154 mg kg. Finally, the LOO-CV conducted on the samples with CN > 900 mg kg resulted in LOD equal to 3751 mg kg. It was found that FTIR spectroscopy provides the information concerning different CN species in the soil samples. Additionally, it is suitable for quantifying Fe-CN species in matrixes with CN > 154 mg kg. Thus, FTIR spectroscopy, in combination with the statistical approach applied here seems to be a feasible and quick method for screening of contaminated sites.

摘要

各种工业来源持续释放持久性铁氰化物(Fe-CN)络合物对环境构成了极大危害,这表明有必要对大量样品进行分析。传统的流动注射分析(FIA)是一种测定氰化物(CN)既耗时又费钱的方法。因此,需要开发一种快速且经济的替代方法来定量分析铁氰化物络合物。为了确定漫反射红外傅里叶变换光谱法(DRIFTS)的可行性,在一个 former Manufactured Gas Plant(MGP)场地采集了52个土壤样品。土壤分析显示CN浓度范围为8至14.809毫克/千克,其中97%为固体形式(Fe[Fe(CN)]),其特征是在2092 - 2084厘米范围内有一个单一的对称CN带。偏最小二乘法(PLS)校准 - 验证模型显示对CN的红外响应超过2306毫克/千克(检测限,LOD)。对低CN(<900毫克/千克)的土壤样品进行了留一法交叉验证(LOO - CV)。这通过将检测限降低到154毫克/千克提高了模型的灵敏度。最后,对CN > 900毫克/千克的样品进行的LOO - CV得出检测限等于3751毫克/千克。研究发现傅里叶变换红外光谱法提供了有关土壤样品中不同CN物种的信息。此外,它适用于定量分析CN > 154毫克/千克的基质中的铁氰化物物种。因此,傅里叶变换红外光谱法与本文应用的统计方法相结合似乎是一种用于筛选污染场地的可行且快速的方法。

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