Passive Fourier transform infrared （FTIR） remote sensing measurement of chemical gas cloud is a vital technology. It takes an important part in many fields for the detection of released gases. The principle of conce...Passive Fourier transform infrared （FTIR） remote sensing measurement of chemical gas cloud is a vital technology. It takes an important part in many fields for the detection of released gases. The principle of concentration measurement is based on the Beer-Lambert law. Unlike the active measurement, for the passive remote sensing, in most cases, the difference between the temperature of the gas cloud and the brightness temperature of the background is usually a few kelvins. The gas cloud emission is almost equal to the background emission, thereby the emission of the gas cloud cannot be ignored. The concentration retrieval algorithm is quite different from the active measurement. In this paper, the concentration retrieval algorithm for the passive FTIR remote measurement of gas cloud is presented in detail, which involves radiative transfer model, radiometric calibration, absorption coefficient calculation, et al. The background spectrum has a broad feature, which is a slowly varying function of frequency. In this paper, the background spectrum is fitted with a polynomial by using the Levenberg-Marquardt method which is a kind of nonlinear least squares fitting algorithm. No background spectra are required. Thus, this method allows mobile, real-time and fast measurements of gas clouds.展开更多
Trend term removal is a key step in Fourier transform infrared spectroscopy(FTIR)data pre-processing.The most commonly used least squares(LS)method,although satisfying the real-time requirement,has many problems such ...Trend term removal is a key step in Fourier transform infrared spectroscopy(FTIR)data pre-processing.The most commonly used least squares(LS)method,although satisfying the real-time requirement,has many problems such as highly correlated initial values of the expression parameters,the need to pre-estimate the trend term shape,and poor fitting accuracy at low signal-to-noise ratios.In order to achieve real-time and robust trend term removal,a new trend term removal method using genetic programming(GP)in symbolic regression is constructed in this paper,and the FTIR simulation interference results and experimental measurement data for common volatile organic compounds(VOCs)gases are analyzed.The results show that the genetic programming algorithm can both reduce the initial value requirement and greatly improve the trend term accuracy by 20%-30% in three evaluation indicators,which is suitable for gas FTIR detection in complex scenarios.展开更多
The Marplex Convention was established to prevent the manufacture of unmarked plastic explosives and stipulates that a volatile detection agent must be added at the time of manufacture.However,to-date,laboratory testi...The Marplex Convention was established to prevent the manufacture of unmarked plastic explosives and stipulates that a volatile detection agent must be added at the time of manufacture.However,to-date,laboratory testing remains the internationally accepted practice for identifying and quantifying the taggants stipulated in the Convention.In this project,portable FTIR and Raman instruments were tested for their ability to detect 2,3-dimethyl-2,3-dinitrobutane(DMDNB),the chemical marker incorporated in plastic explosives that are manufactured within Australia.While both FTIR and Raman instruments detected solid DMDNB(98%purity),field analysis of plastic explosives at an Australian Defence establishment showed that both FTIR and Raman spectra were matched the relevant explosive(RDX or PETN),rather than the DMDNB taggant.For all three plastic explosives tested,the concentration of DMDNB was measured by SPME-GC-MS to be between 1.8 and 2%,greater than the minimum 1%concentration stipulated by the Marplex Convention.Additional testing with a plastic explosive analogue confirmed that the minor absorption peaks that would characterize low concentrations of DMDNB were masked by absorption bands from other compounds within the solid.Thus,while both FTIR and Raman spectroscopy are suitable for detection of plastic explosives,neither rely on the presence of DMDNB for detection.It is likely that similar results would be found for other taggants stipulated by the Marplex Convention,given they are also present in concentrations less than 1%.展开更多
There are two infrared beamlines at the Shanghai synchrotron radiation facility(SSRF)-BL01B and BL06B.BL01B was the first infrared beamline of the National Facility for Protein Science in Shanghai at SSRF,which is ded...There are two infrared beamlines at the Shanghai synchrotron radiation facility(SSRF)-BL01B and BL06B.BL01B was the first infrared beamline of the National Facility for Protein Science in Shanghai at SSRF,which is dedicated to synchrotron infrared microspectroscopy.It utilizes bending magnet radiation and edge radiation as light sources.Diffraction-limited spatial resolution is reached in the infrared microspectroscopy experiment.BL01B has been in operation for approximately five years since it opened in January 2015.In the past few years,many meaningful results have been published by user groups from various disciplines,such as biomacromolecule materials and pharmaceutical,environmental,and biomedical sciences.In addition,a new infrared beamline station BL06B is under construction,which is optimized for the mid-infrared and far-infrared band.BL06B is equipped with a vacuum-type Fourier transform infrared spectrometer,infrared microscope,custom longworking-distance infrared microscope,infrared scanning near-field optical microscope,and mid-infrared Mueller ellipsometer.The purpose is to serve experiments with high vacuum requirements and spatial resolution experiments,as well as those that are in situ and time-sensitive,such as high-pressure and atomic force microscopy infrared experiments.The station can be used for research in biomaterials,pharmacy,geophysics,nanotechnology,and semiconductor materials.展开更多
为了探究高压脉冲电场(pulsed electric field,PEF)提高抗氧化肽活性的机制,以抗氧化肽KWFH为实验材料,以1,1-二苯基-2-三硝基苯肼为衡量指标,通过双因素试验方案,考察电场强度和电场频率对其活性的影响。经过频率2 400 Hz、电场强度10 ...为了探究高压脉冲电场(pulsed electric field,PEF)提高抗氧化肽活性的机制,以抗氧化肽KWFH为实验材料,以1,1-二苯基-2-三硝基苯肼为衡量指标,通过双因素试验方案,考察电场强度和电场频率对其活性的影响。经过频率2 400 Hz、电场强度10 k V/cm的PEF处理,抗氧化肽KWFH活性提高了13.92%(P<0.05)。借助傅里叶变换红外光谱(Fourier transform infrared spectroscopy,FTIR)、核磁共振氢谱(nuclear magnetic resonance,1H-NMR)、Zeta电位及圆二色谱技术,分析高压脉冲电场技术对其结构的影响。FTIR分析结果显示,经过PEF处理的样品羧酸羰基C=O和苯环吸收峰强度增强;经过1H-NMR分析,推测羧酸羰基C=O和苯环吸收强度变化引起官能团携带的氢质子变化。同时,经过PEF处理抗氧化肽KWFH的Zeta电位提高了8.70 m V(P<0.05),进一步推测经过PEF处理,抗氧化肽KWFH结构更加无序,致使官能团暴露,吸收峰强度发生变化,引起肽活性改变。研究发现PEF处理对二级结构之间转化没有影响。这些研究为进一步探究PEF技术提高抗氧化肽活性机理提供了理论依据。展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No 083H311501)the National High Technology Research and Development Program of China (Grant No 073H3f1514)
文摘Passive Fourier transform infrared （FTIR） remote sensing measurement of chemical gas cloud is a vital technology. It takes an important part in many fields for the detection of released gases. The principle of concentration measurement is based on the Beer-Lambert law. Unlike the active measurement, for the passive remote sensing, in most cases, the difference between the temperature of the gas cloud and the brightness temperature of the background is usually a few kelvins. The gas cloud emission is almost equal to the background emission, thereby the emission of the gas cloud cannot be ignored. The concentration retrieval algorithm is quite different from the active measurement. In this paper, the concentration retrieval algorithm for the passive FTIR remote measurement of gas cloud is presented in detail, which involves radiative transfer model, radiometric calibration, absorption coefficient calculation, et al. The background spectrum has a broad feature, which is a slowly varying function of frequency. In this paper, the background spectrum is fitted with a polynomial by using the Levenberg-Marquardt method which is a kind of nonlinear least squares fitting algorithm. No background spectra are required. Thus, this method allows mobile, real-time and fast measurements of gas clouds.
基金supported by JKW Program(No.M102-03)National Program(No.E0F80246).
文摘Trend term removal is a key step in Fourier transform infrared spectroscopy(FTIR)data pre-processing.The most commonly used least squares(LS)method,although satisfying the real-time requirement,has many problems such as highly correlated initial values of the expression parameters,the need to pre-estimate the trend term shape,and poor fitting accuracy at low signal-to-noise ratios.In order to achieve real-time and robust trend term removal,a new trend term removal method using genetic programming(GP)in symbolic regression is constructed in this paper,and the FTIR simulation interference results and experimental measurement data for common volatile organic compounds(VOCs)gases are analyzed.The results show that the genetic programming algorithm can both reduce the initial value requirement and greatly improve the trend term accuracy by 20%-30% in three evaluation indicators,which is suitable for gas FTIR detection in complex scenarios.
基金funded by the Defence Science Technology Group(DSTG)。
文摘The Marplex Convention was established to prevent the manufacture of unmarked plastic explosives and stipulates that a volatile detection agent must be added at the time of manufacture.However,to-date,laboratory testing remains the internationally accepted practice for identifying and quantifying the taggants stipulated in the Convention.In this project,portable FTIR and Raman instruments were tested for their ability to detect 2,3-dimethyl-2,3-dinitrobutane(DMDNB),the chemical marker incorporated in plastic explosives that are manufactured within Australia.While both FTIR and Raman instruments detected solid DMDNB(98%purity),field analysis of plastic explosives at an Australian Defence establishment showed that both FTIR and Raman spectra were matched the relevant explosive(RDX or PETN),rather than the DMDNB taggant.For all three plastic explosives tested,the concentration of DMDNB was measured by SPME-GC-MS to be between 1.8 and 2%,greater than the minimum 1%concentration stipulated by the Marplex Convention.Additional testing with a plastic explosive analogue confirmed that the minor absorption peaks that would characterize low concentrations of DMDNB were masked by absorption bands from other compounds within the solid.Thus,while both FTIR and Raman spectroscopy are suitable for detection of plastic explosives,neither rely on the presence of DMDNB for detection.It is likely that similar results would be found for other taggants stipulated by the Marplex Convention,given they are also present in concentrations less than 1%.
基金supported by the National Natural Science Foundation of China(Nos.U1732130,U1632273,11505267,and 11605281)
文摘There are two infrared beamlines at the Shanghai synchrotron radiation facility(SSRF)-BL01B and BL06B.BL01B was the first infrared beamline of the National Facility for Protein Science in Shanghai at SSRF,which is dedicated to synchrotron infrared microspectroscopy.It utilizes bending magnet radiation and edge radiation as light sources.Diffraction-limited spatial resolution is reached in the infrared microspectroscopy experiment.BL01B has been in operation for approximately five years since it opened in January 2015.In the past few years,many meaningful results have been published by user groups from various disciplines,such as biomacromolecule materials and pharmaceutical,environmental,and biomedical sciences.In addition,a new infrared beamline station BL06B is under construction,which is optimized for the mid-infrared and far-infrared band.BL06B is equipped with a vacuum-type Fourier transform infrared spectrometer,infrared microscope,custom longworking-distance infrared microscope,infrared scanning near-field optical microscope,and mid-infrared Mueller ellipsometer.The purpose is to serve experiments with high vacuum requirements and spatial resolution experiments,as well as those that are in situ and time-sensitive,such as high-pressure and atomic force microscopy infrared experiments.The station can be used for research in biomaterials,pharmacy,geophysics,nanotechnology,and semiconductor materials.
文摘为了探究高压脉冲电场(pulsed electric field,PEF)提高抗氧化肽活性的机制,以抗氧化肽KWFH为实验材料,以1,1-二苯基-2-三硝基苯肼为衡量指标,通过双因素试验方案,考察电场强度和电场频率对其活性的影响。经过频率2 400 Hz、电场强度10 k V/cm的PEF处理,抗氧化肽KWFH活性提高了13.92%(P<0.05)。借助傅里叶变换红外光谱(Fourier transform infrared spectroscopy,FTIR)、核磁共振氢谱(nuclear magnetic resonance,1H-NMR)、Zeta电位及圆二色谱技术,分析高压脉冲电场技术对其结构的影响。FTIR分析结果显示,经过PEF处理的样品羧酸羰基C=O和苯环吸收峰强度增强;经过1H-NMR分析,推测羧酸羰基C=O和苯环吸收强度变化引起官能团携带的氢质子变化。同时,经过PEF处理抗氧化肽KWFH的Zeta电位提高了8.70 m V(P<0.05),进一步推测经过PEF处理,抗氧化肽KWFH结构更加无序,致使官能团暴露,吸收峰强度发生变化,引起肽活性改变。研究发现PEF处理对二级结构之间转化没有影响。这些研究为进一步探究PEF技术提高抗氧化肽活性机理提供了理论依据。
