[Quantitative Analysis for Levocetirizine Hydrochloride Tablets Based on NIR Spectroscopy].

The aim of this study was to develop a quantitative analytical method to measure the effective components in the left cetirizine hydrochloride tablets using near infrared spectroscopy combining with a partial least square (PLS) analysis model. The method was internal cross-validated to determine the best wavelength range, spectral preprocessing methods and the optimal number of principal components. The concentration of validation set samples was predictable by PLS model. The RMSECV value was 0.276, and the R(2) value was 0.974. Our study suggests that this model can be used for rapid quantitative analysis of left cetirizine hydrochloride tablets from different manufacturers.

[Based on Trigger Sampling Method and Phase Correction of Infrared Spectrum Measurement Applications].

Fourier transform infrared spectrometer can be realized in high temperature flue gas multicomponent measurement at the same time, has wide application prospects in the field. And one of the important factors to determine the success of application, lies in the measuring system of infrared interference figure sampling phase error control. This paper discusses the main-reasons of the appearance of phase error in the system, through the analysis of Helium-neon laser interference signal zero uniformity, illustrates the produce phase error is the main reason of the laser signal and reference signal phase difference. At the meantime, the quantitative analysis of the phase error influence on instrument signal to noise ratio (SNR), also the Mertz phase correction method for the instrument improves the thousands of times of the original signal to noise ratio. And the related experiment, the experimental results show that the system based on the interference figure sampling method satisfy the needs of high temperature flue gas measurements.

[A Quantitative Analysis Method of Water-Soluble Inorganic Ions with ATR-FTIR Spectroscopy].

A method of fast nondestructive determination of three kinds of water-soluble inorganic ions including SO4²â», NO3⁻ NH4⁺ in aerosol was disscussed. The method of IC measurement values was used on the control of the three kinds of inorganic ion content. The quantitative calibration models of the inorganic ions were developed by using ATR-FTIR spectroscopy combined with PLS algorithm and the model was evaluated. Markov distance discriminant method was used to identify and eliminate outliers, different mathematical treatments for spectra processing and different wavelength ranges were compared to determine the best model and the optimal model parameters was determined. The results showed that second derivative analysis after eliminating outliers can improve the prediction, PLS analysis can get better results for SO4²â» in the range of 1220-900 cm⁻¹, for NO3⁻ in the range of 1521-900 cm⁻¹ and for NH in the range of 1521-1220 cm⁻¹, the RMSEP were 1.736 7, 1.023 9 and 1.482 3, respectively. The foundation of real-time fast quantitative analysis of the three kinds of inorganic ion in a large number of aerosol samples was established.

[Optical Path Difference Analysis and Simulation of Four Typical Rotary Type Interferometer].

The four kinds of the structure characteristics of rotary type interferometer are mainly analyzed from the classical Michelson interferometer structure in the paper. The Optical path difference between the interferometer and the rotation angle is also analyzed. By setting parameters, the four kinds of rotary type optical path difference of the interferometer are simulated based on the optical path difference formula. The rotation velcocity of the four kinds of interferometers is also simulated. By simulation and contrast of the optical path difference, the relationship is intuitively reflect by figure between the optical path difference and the rotation angle. The scope of the rotation angle is discussed within 3% of the velocity errors. It is the very good reference significance to study the structure and properties of the interferometer by analyzing and simulating the optical path difference discussed in the paper.

[Remote sensing of seasonal variation in column concentration of atmospheric CO2 and CH4 in Hefei].

In order to observe two kinds of greenhouse gases, CO2 and CH4, making the biggest contribution to global warming, a ground-based Fourier transform near-infrared spectral remote sensing system was developed to record the perpendicular incidence sun spectra from February 2012 to April 2013 in Hefei continuously. The measured total transmittances in the atmosphere were obtained from perpendicular incidence sun spectra. Methods of line-by-line and low-order polynomial approximation were used to model the total atmospheric transmittances in forward model. The measured transmittance spectra were fitted iteratively using the modeled transmittance spectra in the regions of CO2 6,150-6,270 and CH4 5,970-6,170 cm(-1) in order to obtain their column concentrations. The column-average dry-air mole fractions of CO2 and CH4 were obtained with the internal standard function of O2 column concentrations. CO2 and CH4 daily average values of column-average dry-air mole fractions changed with a larger fluctuation and obvious seasonal periodicity. Their monthly average values were consistent as a whole, although there were different characteristics. Compared with the results reported by Japanese greenhouse-gas satellite in the area of Waliguan, there was a time lag corresponding to peak and trough of CO2 content and the change from peak to trough costed a longtime. CHR content showed variation tendency of unique peak and trough, higher in summer and lower in winter, compared with average values of nationwide CH4 column concentrations based on SCIAMACHY data. The variation characteristics were related to complex factors such as the balance of source and sink, meteorological and climate conditions, and required long-term observation and further study.

[Quantitative analysis of nitrate in atmospheric particulates PM2.5 with Fourier transform infrared spectroscopy].

Airborne fine particulate matter PM2.5 as one of composite core pollutants of air pollution is concerned and NO as one of the main components of water-soluble ions has an important impact on precipitation and human health, so searching a method of rapid and reliable detection is an important work. According to advantages of the Fourier transform infrared spectroscopy technology, the infrared spectrum of NO3- in NH4NO3 was compared with PM2.5 by a sampling method of making film. The result shows that their spectra are consistent with each other. A range of infrared spectra of different masses of NO3- were measured and the absorbance was fitted with mass, correlation and mass range of which are 0.994 8 and 7.82-73.78 microg, respectively. According to the corresponding relationship of mass between solution and sample film, the FTIR of the sample film was measured directly and mass concentrations of NO3- in a month (between 2012-03-20 and 2012-04-20) of Hefei area are listed and the average is 4.1713 microg x m(-3).

[Optical properties research of NH4NO3 by Fourier transform infrared spectroscopy].

In the present paper, the infrared spectrum of aerosol and NH4 NO3 was analysed and compared, and the result showed that the infrared spectral features of aerosol are consistent with that of NH4 NO3. The absorption coefficient alpha and the mass absorption cross section kappa of NO3- was calculated by the transmissivity of NO3- in NH4 NO3 according to Beer-Lambert law. Then the imaginary part of the complex refractive index was calculated through alpha. The real part of the complex refractive index was derived from the K-K(Kramers-Kroning) relationship. It has important significance for further research on the scattering and absorption characteristics of the different composition of the atmospheric aerosol through analysing the results of the experiment.

[Investigation of the limit of detection of an infrared passive remote sensing and scanning imaging system for pollution gas].

NECL could be used to estimate the limit of detection of the infrared passive remote sensing system. It was an important indicator of the sensitivity of the system. The theoretical equation of the NECL according to the atmospheric infrared radiation transfer model showed that NECL related to NESR, the brightness temperature of background and pollution gas, and the absorption coefficient of pollution gas. The remote sensing of SF6 was done. The limit of detection of the system at the different brightness temperature of background and pollution gas could be calculated. False color image of NECL was given from the measured data. The results show that NECL decreases rapidly by increasing the difference in brightness temperature of the background and pollution gas, the value of NECL was down to 10(-2) order of magnitude when the brightness temperature difference was equal to 30 K. False color image of NECL contributes to the discrimination of the limit of detection of the system in the complex background.

[Investigation on remote measurement of air pollution by a method of infrared passive scanning imaging].

Passive remote sensing by Fourier-transform infrared (FTIR) spectrometry allows detection of air pollution. However, for the localization of a leak and a complete assessment of the situation in the case of the release of a hazardous cloud, information about the position and the distribution of a cloud is essential. Therefore, an imaging passive remote sensing system comprising an interferometer, a data acquisition and processing software, scan system, a video system, and a personal computer has been developed. The remote sensing of SF6 was done. The column densities of all directions in which a target compound has been identified may be retrieved by a nonlinear least squares fitting algorithm and algorithm of radiation transfer, and a false color image is displayed. The results were visualized by a video image, overlaid by false color concentration distribution image. The system has a high selectivity, and allows visualization and quantification of pollutant clouds.

[Optical properties research of Bacillus subtilis spores by Fourier transform infrared spectroscopy].

The authors measured IR transmission spectra of two different concentrations of Bacillus subtilis spores by using Fourier transform infrared spectroscopy (FTIR) technology. The mass extinction cross section k of Bacillus subtilis spores was calculated according to Lambert-Beer law and the imaginary part n(i) of the complex refractive index was also calculated through k. The real part n(r) of the complex refractive index was derived from the KK (Kramers-Kronig) relationship and the experimental results were also analyzed and discussed with the study of measurement and analysis method of the complex refractive index on Bacillus subtilis spores, it is of great significance to further research the absorption and scattering characteristics, and to broaden the measurement and remote sensing technology method of the biological aerosols.

[Ozone concentration inversion based on multi-reflected cell FTIR spectra and correlation analysis].

The stratosphere ozone plays the protective action role for human and the ground-level ozone is harmful to human health. Monitoring ozone with different ways and methods took an active part in understanding distribution and transformation of ozone, which was useful to controlling pollution emission. Spectra were got by multi-reflected white cell Fourier transform infrared (FTIR) spectrometer, inversed with nonlinear least squares (NLLSQ) method and then the concentrations of ozone were got exactly. The correlations of measured ozone concentration time series by Fourier transform infrared spectrometer, open path UV differential optical absorption spectrometer and ozone analyzer of the Thermo Corporation were significant. The results showed that the measured ozone absolute concentrations with different monitoring methods and instruments had some differences, but the concentration diurnal variations were coincident and the correlations were good. Therefore, ozone concentration inversion method, based on multi-reflected cell Fourier transform infrared spectrum and not reported in domestic articles, could be used as an effective technique to measure ozone concentration.

[Concentration inversion of high temperature air from FTIR spectra and analyzing residual error structure].

The spectral line widths of theory and experiment are analyzed with different temperatures; the line strengths under room temperature in HITRAN database are corrected to measured temperature, and then synthetic spectra are calculated. With the nonlinear least squares fit between measured spectra and calibration spectra, standard gas concentrations of CO at different temperatures are obtained. The inversion concentration error of this algorithm at room temperature is less than 5% with high precision. But with the temperature increasing, the concentration error will increase gradually. At the same time, there is the same apparent structure to component CO in the residual spectrum. Also, with higher temperature, the structure is more obvious and can not be removed by increasing the number of fitting. Comparing experimental results and theoretical analysis, the temperature correction methods of calibration spectra, which are not suitable for high temperature gas, are the main reason for inversion error at higher temperature. These results have important significance for further research on accurately correcting parameters and how to inverse the high temperature gas concentrations more accurately.

[Monitoring and analysis of urban ozone using open path Fourier transform infrared spectrometry].

An ozone monitoring system was developed by the method of open path Fourier transform infrared (OP-FTIR) spectrometry based on our FTIR spectrometer. In order to improve measurement precision and detection limit, the quantitative analysis was completed to get ozone concentration by combining synthetic background spectrum method which uses information from HITRAN database and instrumental line shape, and nonlinear least squares (NLLSQ) method. The measurement methods for system detection limit were discussed and the result is 1.42 nmol x mol(-1) with sixteen times averages. The authors developed continuous monitoring experiments in the suburban area of Hefei. For the day and month measurement results, the authors analyzed their variations with the generation sources. The result has shown that this system is reliable and precise and can be used as a new device and method for national ozone monitoring.

[Application of SOF-FTIR method to measuring ammonia emission flux of chemical plant].

In the present paper, a new method is introduced for real-time monitoring polluted gas emission flux of chemical plant, which is called FTIR based on the solar occultation flux technique (SOF-FTIR). The model to obtain background spectrum, measured spectrum and atmospheric penetration rate surrounding polluted gas under complicated conditions is also proposed. Continuous measurements were preformed at a closed loop surrounding the contaminated areas that need to be mornitored to obtain measured spectrum, and finally column concentration of polluted gas was retrieved by using the nonlinear least squares fitting algorithm (NLLS). Then the flux information combined with the meteorological data and GPS information of the time was obtained when the experiments were done. Using this method, remote sensing experiment of ammonia emission around a chemical plant was done, and the concentration distribution and its emission flux was quantitatively analyzed. Compared with traditional FTIR methods of monitoring, this method is featured by convenient operation and high maneuverability, so it has a good application prospect in pollution monitoring and other applications in regional air pollution contingency monitoring.

[Analyzing NH3 volatilization of different fertilizers by FTIR spectra measurement].

In the present paper, the authors used FTIR spectra measurement to analyze the volatilization of NH3 of different fertilizers. With the help of HITRAN database, using NLLS arithmetic, the authors retrieved the concentrations of NH3. The authors compared the concentrations and simply analyzed the reason why the concentrations are different. This experiment indicated that the FTIR spectra measurement used to analyze the volatilization of NH3 has many advantages, such as simple operation, high efficiency, measuring in real time and continuity, so this measurement can completely satisfy the demand of analysis in field.

[Study on the method of FTIR spectrum non linear multiple point calibration].

FTIR Technique has developed rapidly since 1980s, and has become increasingly important. It has been used in a variety of fields. In order to make sure the result is of nicety, the authors should manipulate the FTIR spectrometer accurately and study its instrument response function and calibration arithmetic. Because the instrument response of the detector of FTIR spectrometer is different at different wave band, the no-calibrated spectrum was ruleless. Without calibration, we can not obtain the absolute intensity, even relative intensity. There are two calibration arithmetics: Linear calibration arithmetic corresponding linear detector and non-calibration arithmetic corresponding non-linear detector. The present paper gave the arithmetic of linear calibration and non-linear multiple point calibration. The authors measured several blackbody spectra at some different temperatures. Some of them were used for calibration and one was used to test the result of calibration The result indicated that this method of non-linear multiple point calibration was very good. The relative arbitrary between calibrated blackbody spectrum and standard blackbody spectrum was near 0.2%, while the maximum was still lower than 0.4%.

[The study of instrument response function of FTIR detectors].

FTIR spectrometer detectors have different instrument response function in different wave band. In application, no matter absolute or relative intensity of spectrum the authors use, the authors should calibrate the instrument with standard blackbody to find the instrument response function. In the present paper, the authors study the instrument response function of detectors (InSb detector and MCT detector) in Canada MOMAN MR154 FTIR spectrometer. The authors found the law of the change in instrument response function with temperature (radiation brightness). It is important for FTIR spectrometer calibration.

[A method of eliminating the water vapor interference simultaneously in open path FTIR measurement by instrumental line shape correction].

Water vapor absorption, which exists in mid-infrared region, is an interferential element for infrared spectra analysis. A new method, which can be used to eliminate the water vapor interference in FTIR measurement, is presented. To calculate the high resolution absorbance of water vapor, a fast line by line method which computed with the HITRAN database (eg. line strength, self broadening, air broadening, etc) and meteorological parameters (eg. temperature, pressure, and relative humidity) was used. After convolving with Instrumental line shape (eg. divergence angle, resolution, etc), the absorbance of water vapor was then transferred from high resolution to low resolution, which matched the instrumental parameters. After the acquirement of water vapor absorbance spectrum, it will be subtracted from the measured spectrum to calculate the spectrum with the water vapor was eliminated. In the present work, analysis of measured data from open path FTIR is described. Only the absorbing character and noise was left in the spectrum after eliminating the water vapor interference. Consequently, this method has an ideal effect on water vapor elimination when there is no dryer can be used, especially in the case of open path FTIR measurement.

[Initial study of a new method for measuring the temperature of hot gas by FTIR spectrometry].

The present paper analyzed the molecular spectra theory detailedly and summarized the factors affecting the structure and intensity-distribution of molecular rotation-vibration spectra. The authors knew that every spectral line's relative intensity is only related to external temperature. According to this conclusion. The authors showed a new method for measuring the temperature of hot gas by FTIR spectrometry. The authors established a database for measuring the temperature-database using the database of HITRAN. The authors calibrated and validated the database using four experimental spectral data at different temperatures. After calibration, the result was very good. Compared with molecular rotation-vibration emission spectra method and maximum spectral line intensity method, this method has many advantages: simple physical-contents, easy calculation (done by a C program), high precision etc. It was a simple and applied method.

[Passive remote measurement of flame infrared image by a FTIR scanning imaging system].

The present paper introduced a FTIR scanning imaging system. This system is based on the combination of a FTIR spectrometer and a scanning mirror. So it has the advantage of FTIR spectrometer: non-contact, real-time, celerity, nicety and high sensitivity. Through scanning mirror, the authors can obtain the space information of targets. The authors used this system to measure the flames infrared emission spectra of three alcohol burners at a flat roof in our laboratory. According to Planck's law, the authors calculated the relative temperature of from each spectrum. These temperature data formed an array. The authors used matlab software to plot the infrared images of target and contrasted them with video image. They were consistent with each other very well. This experiment allowed us to obtain the temperature distribution of three alcohol burners' flames, and provide identification, visualization, and quantification of pollutant clouds.