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Feasibility study on the use of near-infrared spectroscopy for rapid and nondestructive determination of gossypol content in intact cottonseeds 被引量:6
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作者 LI Cheng SU Bangsong +3 位作者 ZHAO Tianlun LI Cong CHEN Jinhong ZHU Shuijin 《Journal of Cotton Research》 2021年第2期138-146,共9页
Background:Gossypol found in cottonseeds is toxic to human beings and monogastric animals and is a primary parameter for the integrated utilization of cottonseed products.It is usually determined by the techniques rel... Background:Gossypol found in cottonseeds is toxic to human beings and monogastric animals and is a primary parameter for the integrated utilization of cottonseed products.It is usually determined by the techniques relied on complex pretreatment procedures and the samples after determination cannot be used in the breeding program,so it is of great importance to predict the gossypol content in cottonseeds rapidly and nondestructively to substitute the traditional analytical method.Results:Gossypol content in cottonseeds was investigated by near-infrared spectroscopy(NIRS)and high-performance liquid chromatography(HPLC).Partial least squares regression,combined with spectral pretreatment methods including Savitzky-Golay smoothing,standard normal variate,multiplicative scatter correction,and first derivate were tested for optimizing the calibration models.NIRS technique was efficient in predicting gossypol content in intact cottonseeds,as revealed by the root-mean-square error of cross-validation(RMSECV),root-mean-square error of prediction(RMSEP),coefficient for determination of prediction(R_(p)^(2)),and residual predictive deviation(RPD)values for all models,being 0.05∼0.07,0.04∼0.06,0.82∼0.92,and 2.3∼3.4,respectively.The optimized model pretreated by Savitzky-Golay smoothing+standard normal variate+first derivate resulted in a good determination of gossypol content in intact cottonseeds.Conclusions:Near-infrared spectroscopy coupled with different spectral pretreatments and partial least squares(PLS)regression has exhibited the feasibility in predicting gossypol content in intact cottonseeds,rapidly and non destructively.It could be used as an alternative method to substitute for traditional one to determi ne the gossypol content in intact cottonseeds. 展开更多
关键词 Intact cottonseed CHEMOMETRICS GOSSYPOL near-infrared spectroscopy
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Near-infrared carbon dots:pioneering emerging frontiers in biomedical applications
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作者 HE Qian YANG Yan-li +2 位作者 LI Rui-jiao MA Dan ZHANG Li-yun 《新型炭材料(中英文)》 北大核心 2025年第1期131-153,共23页
Carbon dots(CDs)are fluorescent carbon-based nanomaterials with sizes smal-ler than 10 nm,that are renowned for their exceptional properties,including superior anti-photobleaching,excellent biocompatibility,and minima... Carbon dots(CDs)are fluorescent carbon-based nanomaterials with sizes smal-ler than 10 nm,that are renowned for their exceptional properties,including superior anti-photobleaching,excellent biocompatibility,and minimal toxicity,which have received sig-nificant interest.Near-infrared(NIR)light has emerged as an ideal light source in the biolo-gical field due to its advantages of minimal scattering and absorption,long wavelength emission,increased tissue penetration,and reduced interference from biological back-grounds.CDs with efficient absorption and/or emission characteristics in the NIR spectrum have shown remarkable promise in the biomedical uses.This study provides a comprehens-ive overview of the preparation methods and wavelength modulation strategies for near-in-frared CDs and reviews research progress in their use in the areas of biosensing,bioimaging,and therapy.It also discusses current challenges and clinical prospects,aimed at deepening our understanding of the subject and promoting further advances in this field. 展开更多
关键词 near-infrared carbon dots BIOIMAGING BIOSENSING Therapy BIOMEDICINE
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A near-infrared all-fiber mode monitor based on the mini-two-path Mach-Zehnder interferometer
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作者 ZHU Xiao-Jun LIU Yu +5 位作者 WU Yue ZHUANG Hao-Ran SUN Dan SHI Yue-Chun CAO Juan YANG Yong-Jie 《红外与毫米波学报》 北大核心 2025年第3期352-357,共6页
A novel near-infrared all-fiber mode monitor based on a mini-two-path Mach-Zehnder interferometer(MTP-MZI)is proposed.The MTP-MZI mode monitor is created by fusing a section of(no-core fiber,NCF)and a(single-mode fibe... A novel near-infrared all-fiber mode monitor based on a mini-two-path Mach-Zehnder interferometer(MTP-MZI)is proposed.The MTP-MZI mode monitor is created by fusing a section of(no-core fiber,NCF)and a(single-mode fiber,SMF)together with an optical fiber fusion splicer,establishing two distinct centimeter-level optical transmission paths.Since the high-order modes in NCF transmit near-infrared light more sensitively to curvature-induced energy leakage than the fundamental mode in SMF,the near-infrared high-order mode light leaks out of NCF when the curvature changes,causing the MTP-MZI transmission spectrum to change.By ana⁃lyzing the relationship between the curvature,transmission spectrum,and spatial frequency spectrum,the modes involved in the interference can be studied,thereby revealing the mode transmission characteristics of near-infra⁃red light in optical fibers.In the verification experiments,higher-order modes were excited by inserting a novel hollow-core fiber(HCF)into the MTP-MZI.When the curvature of the MTP-MZI changes,the near-infrared light high-order mode introduced into the device leaks out,causing the transmission spectrum to return to its origi⁃nal state before bending and before the HCF was spliced.The experimental results demonstrate that the MTP-MZI mode monitor can monitor the fiber modes introduced from the external environment,providing both theoretical and experimental foundations for near-infrared all-fiber mode monitoring in optical information systems. 展开更多
关键词 near-infrared mode monitor Mach-Zehnder interferometer two-path structure all-fiber-format
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Ultrafast Self-powered Near-infrared Photodetectors and Imaging Array Based on Tin-lead Mixed Perovskites
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作者 LIU Jingjing YANG Zhichun +7 位作者 BAO Haotian MENG Xinqin QI Minru YANG Changgang ZHANG Guofeng QIN Chengbing XIAO Liantuan JIA Suotang 《发光学报》 北大核心 2025年第6期1037-1047,共11页
Tin-lead(Sn-Pb)mixed perovskites are extensively investigated in near-infrared(NIR)photodetectors(PDs)owing to their excellent photoelectric performance.However,achieving high-performance Sn-Pb mixed PDs remains chall... Tin-lead(Sn-Pb)mixed perovskites are extensively investigated in near-infrared(NIR)photodetectors(PDs)owing to their excellent photoelectric performance.However,achieving high-performance Sn-Pb mixed PDs remains challenging,primarily because of the rapid crystallization and the susceptibility of Sn^(2+) to oxidation.To ad⁃dress these issues,this study introduces the multifunctional molecules 2,3-difluorobenzenamine(DBM)to modulate the crystallization of Sn-Pb mixed perovskites and retard the oxidation of Sn^(2+),thereby significantly enhancing film quality.Compared with the pristine film,Sn-Pb mixed perovskite films modulated by DBM molecules exhibit a high⁃ly homogeneous morphology,reduced roughness and defect density.The self-powered NIR PDs fabricated with the improved films have a spectral response range from 300 nm to 1100 nm,a peak responsivity of 0.51 A·W^(-1),a spe⁃cific detectivity as high as 2.46×10^(11)Jones within the NIR region(780 nm to 1100 nm),a linear dynamic range ex⁃ceeding 152 dB,and ultrafast rise/fall time of 123/464 ns.Thanks to the outstanding performance of PDs,the fabri⁃cated 5×5 PDs array demonstrates superior imaging ability in the NIR region up to 980 nm.This work advances the development of Sn-Pb mixed perovskites for NIR detection and paves the way for their commercialization. 展开更多
关键词 tin-lead mixed perovskites near-infrared photodetectors imaging array oxidation crystallization modulation
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Erbium-sensitized Broadband Near-infrared Luminescence in Nanoparticles
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作者 ZHAO Yu HUANG Jinshu +2 位作者 LU Kecen HUANG Mengyue ZHOU Bo 《发光学报》 北大核心 2025年第7期1241-1248,共8页
Broadband near-infrared(NIR)luminescent materials have shown great promise in applications such as optical communication,biomedicine,and optoelectronic devices.However,the current research is focused on phos⁃phors and... Broadband near-infrared(NIR)luminescent materials have shown great promise in applications such as optical communication,biomedicine,and optoelectronic devices.However,the current research is focused on phos⁃phors and glasses,and it is important to develop broadband NIR luminescent nanomaterials.Here,we report an erbi⁃um-sensitized core-shell nanocrystal design for broadband NIR emission.Based on the structural design with suitable dopings of Tm^(3+)and Ho^(3+),the broadband NIR emission covering 1.5-2.1μm region is achieved under 980 nm and 808 nm excitations.Moreover,the emission intensity is further enhanced by introducing Yb^(3+)and Nd^(3+)into the sam⁃ple,respectively,and the energy transfer processes between them are systematically discussed.Our results present a novel approach for developing broadband NIR luminescent materials and devices. 展开更多
关键词 broadband near-infrared luminescence lanthanide ions core-shell structure energy transfer
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Synthesis,Mechanical Characteristic and Near-infrared Reflective Property of Perylene Diimide-containing Polyurethane
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作者 SONG Yifan LI Zixin +7 位作者 TIAN Kaili BERMESHEV Maxim V HU Yanghao SU Yupeng WANG Jie PAN Hongfei LI He REN Xiangkui 《发光学报》 北大核心 2025年第7期1326-1332,共7页
Doping perylene diimide(PDI)into a polymer matrix is a simple strategy to prepare near-infrared(NIR)reflective materials,but the mechanical properties and NIR reflectance properties are significantly compromised due t... Doping perylene diimide(PDI)into a polymer matrix is a simple strategy to prepare near-infrared(NIR)reflective materials,but the mechanical properties and NIR reflectance properties are significantly compromised due to macro-phase separation.In this study,a novel polymer(denoted as PU-PDI)with intrinsic NIR reflective proper⁃ties was synthesized by covalent incorporation of PDI units into polyurethane chains.Its photophysical characteris⁃tics,mechanical property and NIR reflectance property are investigated in detail.The results show that covalent in⁃corporation reduces the severe aggregation of PDI units,thereby endows PU-PDI with excellent mechanical property.The elongation at break of PU-PDI can reach more than 700%,and the breaking strength is 34.11 MPa.Moreover,compared to the blending system,PU-PDI possesses enhanced NIR reflection ability due to the better dispersion of PDI units. 展开更多
关键词 perylene diimide POLYURETHANE near-infrared(NIR)reflectance
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Visible to near-infrared photodetector based on organic semiconductor single crystal
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作者 LI Xiang HU Jin-Han +7 位作者 ZHONG Zhi-Peng CHEN Yu-Zhong WANG Zhi-Qiang SONG Miao-Miao WANG Yang ZHANG Lei LI Jian-Feng HUANG Hai 《红外与毫米波学报》 北大核心 2025年第1期46-51,共6页
Organic semiconductor materials have shown unique advantages in the development of optoelectronic devices due to their ease of preparation,low cost,lightweight,and flexibility.In this work,we explored the application ... Organic semiconductor materials have shown unique advantages in the development of optoelectronic devices due to their ease of preparation,low cost,lightweight,and flexibility.In this work,we explored the application of the organic semiconductor Y6-1O single crystal in photodetection devices.Firstly,Y6-1O single crystal material was prepared on a silicon substrate using solution droplet casting method.The optical properties of Y6-1O material were characterized by polarized optical microscopy,fluorescence spectroscopy,etc.,confirming its highly single crystalline performance and emission properties in the near-infrared region.Phototransistors based on Y6-1O materials with different thicknesses were then fabricated and tested.It was found that the devices exhibited good visible to near-infrared photoresponse,with the maximum photoresponse in the near-infrared region at 785 nm.The photocurrent on/off ratio reaches 10^(2),and photoresponsivity reaches 16 mA/W.It was also found that the spectral response of the device could be regulated by gate voltage as well as the material thickness,providing important conditions for optimizing the performance of near-infrared photodetectors.This study not only demonstrates the excellent performance of organic phototransistors based on Y6-1O single crystal material in near-infrared detection but also provides new ideas and directions for the future development of infrared detectors. 展开更多
关键词 near-infrared photodetector organic semiconductor Y6-1O single crystal spectral response
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Infrared spectroscopic analysis of O-H bond dynamics in one-dimensional confined water and bulk water
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作者 ZHANG Lei WANG Tian-Qi FAN Yan-Ping 《红外与毫米波学报》 北大核心 2025年第1期78-85,共8页
In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are c... In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are closely related to the hydrogen bonds(H-bonds)network between water molecules.Therefore,it is crucial to analyze the relationship between these two aspects.In this paper,the infrared spectrum and motion characteristics of the stretching vibrations of the O-H bonds in one-dimensional confined water(1DCW)and bulk water(BW)in(6,6)single-walled carbon nanotubes(SWNT)are studied by molecular dynamics simulations.The results show that the stretching vibrations of the two O-H bonds in 1DCW exhibit different frequencies in the infrared spectrum,while the O-H bonds in BW display two identical main frequency peaks.Further analysis using the spring oscillator model reveals that the difference in the stretching amplitude of the O-H bonds is the main factor causing the change in vibration frequency,where an increase in stretching amplitude leads to a decrease in spring stiffness and,consequently,a lower vibration frequency.A more in-depth study found that the interaction of H-bonds between water molecules is the fundamental cause of the increased stretching amplitude and decreased vibration frequency of the O-H bonds.Finally,by analyzing the motion trajectory of the H atoms,the dynamic differences between 1DCW and BW are clearly revealed.These findings provide a new perspective for understanding the behavior of water molecules at the nanoscale and are of significant importance in advancing the development of infrared spectroscopy detection technology. 展开更多
关键词 one-dimensional confined water infrared spectroscopy hydrogen bonds
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Optical Spectroscopy Methods for Determining Semiconductor Bandgaps
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作者 ZHANG Yong 《发光学报》 北大核心 2025年第7期1271-1282,共12页
Although there are numerous optical spectroscopy techniques and methods that have been used to extract the fundamental bandgap of a semiconductor,most of them belong to one of these three approaches:(1)the excitonic a... Although there are numerous optical spectroscopy techniques and methods that have been used to extract the fundamental bandgap of a semiconductor,most of them belong to one of these three approaches:(1)the excitonic absorption,(2)modulation spectroscopy,and(3)the most widely used Tauc-plot.The excitonic absorption is based on a many-particle theory,which is physically the most correct approach,but requires more stringent crystalline quality and appropriate sample preparation and experimental implementation.The Tauc-plot is based on a single-particle theo⁃ry that neglects the many-electron effects.Modulation spectroscopy analyzes the spectroscopy features in the derivative spectrum,typically,of the reflectance and transmission under an external perturbation.Empirically,the bandgap ener⁃gy derived from the three approaches follow the order of E_(ex)>E_(MS)>E_(TP),where three transition energies are from exci⁃tonic absorption,modulation spectroscopy,and Tauc-plot,respectively.In principle,defining E_(g) as the single-elec⁃tron bandgap,we expect E_(g)>E_(ex),thus,E_(g)>E_(TP).In the literature,E_(TP) is often interpreted as E_(g),which is conceptual⁃ly problematic.However,in many cases,because the excitonic peaks are not readily identifiable,the inconsistency be⁃tween E_(g) and E_(TP) becomes invisible.In this brief review,real world examples are used(1)to illustrate how excitonic absorption features depend sensitively on the sample and measurement conditions;(2)to demonstrate the differences between E_(ex),E_(MS),and E_(TP) when they can be extracted simultaneously for one sample;and(3)to show how the popular⁃ly adopted Tauc-plot could lead to misleading results.Finally,it is pointed out that if the excitonic absorption is not ob⁃servable,the modulation spectroscopy can often yield a more useful and reasonable bandgap than Tauc-plot. 展开更多
关键词 semiconductor material bandgap excitonic absorption modulation spectroscopy Tauc plot
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High-precision quantitative analysis of 3-nitro-1,2,4-triazol-5-one(NTO)concentration based on ATR-FTIR spectroscopy and machine learning
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作者 Zhe Zhang Zhuowei Sun +4 位作者 Haoming Zou Xijuan Lv Ziyang Guo Shuai Zhao Qinghai Shu 《Defence Technology(防务技术)》 2025年第10期131-141,共11页
3-Nitro-1,2,4-triazol-5-one(NTO)is a typical high-energy,low-sensitivity explosive,and accurate concentration monitoring is critical for crystallization process control.In this study,a high-precision quantitative anal... 3-Nitro-1,2,4-triazol-5-one(NTO)is a typical high-energy,low-sensitivity explosive,and accurate concentration monitoring is critical for crystallization process control.In this study,a high-precision quantitative analytical model for NTO concentration in ethanol solutions was developed by integrating real-time ATR-FTIR spectroscopy with chemometric and machine learning techniques.Dynamic spectral data were obtained by designing multi-concentration gradient heating-cooling cycle experiments,abnormal samples were eliminated using the isolation forest algorithm,and the effects of various preprocessing methods on model performance were systematically evaluated.The results show that partial least squares regression(PLSR)exhibits superior generalization ability compared to other models.Vibrational bands corresponding to C=O and–NO_(2)were identified as key predictors for concentration estimation.This work provides an efficient and reliable solution for real-time concentration monitoring during NTO crystallization and holds significant potential for process analytical applications in energetic material manufacturing. 展开更多
关键词 ATR-FTIR spectroscopy Machine learning Quantitative analysis
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Near-Infrared Imaging Using a High-Speed Monitoring Near Infrared Hyperspectral Camera(Compovision) 被引量:3
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作者 Daitaro Ishikawa Asako Motomura +1 位作者 Yoko Igarashi Yukihiro Ozaki 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2015年第4期865-869,共5页
This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enab... This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enables a wide spectral region measurement in the 1 000~2 350nm range at 6nm intervals.We investigated the potential of Compovision in the applications to industrial problems such as the evaluation of pharmaceutical tablets and polymers.Our studies have demonstrated that NIR imaging based on Compovision can solve several issues such as long acquisition times and relatively low sensitivity of detection.NIR imaging with Compovision is strongly expected to be applied not only to pharmaceutical tablet monitoring and polymer characterization but also to various applications such as those to food products,biomedical substances and organic and inorganic materials. 展开更多
关键词 Near infrared spectroscopy IMAGING Hyperspectral camera
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Determination of manganese content in cottonseed meal using near-infrared spectrometry and multivariate calibration
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作者 YU En ZHAO Rubing +7 位作者 CAI Yunfei HUANG Jieqiong LI Cheng LI Cong MEI Lei BAO Lisheng CHEN Jinhong ZHU Shuijin 《Journal of Cotton Research》 2019年第2期105-111,共7页
Background:Manga nese(Mn)is an essential microelement in cotton seeds,which is usually determined by the techniques relied on hazardous reagents and complex pretreatment procedures.Therefore a rapid,low-cost,and reage... Background:Manga nese(Mn)is an essential microelement in cotton seeds,which is usually determined by the techniques relied on hazardous reagents and complex pretreatment procedures.Therefore a rapid,low-cost,and reagent-free analytical way is demanded to substitute the traditional analytical method.Results:The Mn content in cottonseed meal was investigated by near-infrared spectroscopy(NIRS)and chemometrics techniques.Standard normal variate(SNV)combined with first derivatives(FD)was the optimal spectra pre-treatment method.Monte Carlo uninformative variable elimination(MCUVE)and successive projections algorithm method(SPA)were employed to extract the informative variables from the full NIR spectra.The lin ear and non linear calibration models for cott on seed Mn content were developed.Finally,the optimal model for cottonseed Mn content was obtained by MCUVE-SPA-LSSVM,with root mean squares error of prediction(RMSEP)of 1.994 6,coefficient of determination(R^2)of 0.949 3,and the residual predictive deviation(RPD)of 4.370 5,respectively.Conclusions:The MCUVE-SPA-LSSVM model is accuracy enough to measure the Mn content in cottonseed meal,which can be used as an alter native way to substitute for traditional analytical method. 展开更多
关键词 COTTONSEED MEAL MANGANESE CONTENT near-infrared spectroscopy MULTIVARIATE calibration
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基于KNN-SVM的混合气体检测方法研究 被引量:3
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作者 孙超 胡润泽 +2 位作者 吴中旭 刘年松 丁建军 《光谱学与光谱分析》 SCIE EI CAS 北大核心 2025年第1期117-124,共8页
当今混合气体检测的研究中,针对多组分气体数据进行分类预测的数学算法百花齐放,如何快速且准确的检测出气体的成分和浓度逐渐成为当今研究的热门。然而在一些研究中,气体数据特征难以捕捉和判断,泛化能力不足,对气体数据进行分类预测... 当今混合气体检测的研究中,针对多组分气体数据进行分类预测的数学算法百花齐放,如何快速且准确的检测出气体的成分和浓度逐渐成为当今研究的热门。然而在一些研究中,气体数据特征难以捕捉和判断,泛化能力不足,对气体数据进行分类预测的精度和效率表现较差。为此,针对一些数据偏差和泛化误差无界的问题,提出了一种K最近邻-支持向量机(KNN-SVM)算法,对一些难以作出分类的模糊气体数据进行二次分类,采用KNN和SVM两种算法共同抉择,更加全面的捕捉数据特征,根据实验确定各自算法的权重比从而提高判别气体类别的准确率,两种算法的集成也能提高算法的效率,对于不同种类的气体也能有良好的适应性的稳定性。该实验气体组分由12 mg·L^(-1)的C_(2)H_(2)、NO_(2)、SF_(6),10 mg·L^(-1)的NO_(2)、SF_(6)和5 mg·L^(-1)的C_(2)H_(2)(背景气体皆为N_(2))以及两瓶纯N_(2)的气瓶组成;通过互相混合和与N_(2)配比制备出实验设定的气体浓度。实验过程通过单一气体的检测可分别对三种气体获得60组训练集,并通过这60组数据可进行线性拟合得到每种气体的拟合线,得到气体浓度与气体吸收峰值的关系,通过实验检测得到的三种气体拟合线,其中C_(2)H_(2)拟合线的调整后R^(2)为0.991,NO_(2)拟合线的调整后R^(2)为0.981,SF_(6)拟合线的调整后R^(2)为0.987,可得气体检测的准确性。再通过互相混合进行检测可分别获得40组训练集,采用KNN-SVM算法对混合气体进行分类和预测,后通过拟合线即可反演出混合气体中每种气体的浓度。将该算法与传统SVM算法进行各种分类指标对比均可显示出该算法的有效性和优越性。实验结果表明,KNN-SVM算法在气体分类预测方面表现出卓越的性能,准确率高达99.167%,AUC(area under curve)值达99.375%。这一算法不仅提高了气体检测的准确性,还增强了泛化能力可适应多样化的气体组分,为实时气体检测系统提供了有力支持。 展开更多
关键词 光声光谱 气体检测 KNN-SVM 分类预测
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自适应滤波算法在二次谐波信号降噪中的应用 被引量:1
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作者 邵昊 李博冉 +2 位作者 王凯 张贝 刘超杰 《安全与环境学报》 北大核心 2025年第4期1534-1543,共10页
针对可调谐二极管激光吸收光谱-波长调制光谱(Tunable Diode Laser Absorption Spectroscopy-Wavelength Modulation Spectroscopy, TDLAS-WMS)技术在天然气管道巡检等痕量气体检测过程中常受到光学元件和电子器件噪声对二次谐波信号的... 针对可调谐二极管激光吸收光谱-波长调制光谱(Tunable Diode Laser Absorption Spectroscopy-Wavelength Modulation Spectroscopy, TDLAS-WMS)技术在天然气管道巡检等痕量气体检测过程中常受到光学元件和电子器件噪声对二次谐波信号的干扰问题,为了提高系统检测精度,提出了一种基于吸收峰两侧无吸收翼部分噪声作为参考信号的自适应滤波方法,通过递归更新滤波器权重,动态抑制二次谐波中的非平稳噪声,提升系统的检测精度。试验结果表明,该方法显著提高了系统的信噪比与线性度,滤波后拟合优度R2从0.996 4提升至0.997 3,检测下限由0.201×10^(-6)降低至0.128×10^(-6),降幅约为36.3%。 展开更多
关键词 公共安全 吸收光谱 波长调制光谱 互相关检测 自适应滤波 二次谐波
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紫外可见光谱结合化学模式识别对紫苏油的真伪鉴别 被引量:4
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作者 卞希慧 刘雨 +2 位作者 王瑶 张强 张妍 《分析测试学报》 北大核心 2025年第2期229-237,共9页
作为高经济价值且昂贵的非常规植物油,紫苏油易被低价食用油掺假。由于食用油的匀质性及其组成的复杂性,传统鉴别方法难以快速准确地鉴别紫苏油的真伪。该文探索了紫外可见光谱结合化学模式识别对紫苏油真伪鉴别的可行性。首先购买了40... 作为高经济价值且昂贵的非常规植物油,紫苏油易被低价食用油掺假。由于食用油的匀质性及其组成的复杂性,传统鉴别方法难以快速准确地鉴别紫苏油的真伪。该文探索了紫外可见光谱结合化学模式识别对紫苏油真伪鉴别的可行性。首先购买了40个纯紫苏油样品,并将大豆油、棕榈油分别按一定的比例加入到纯紫苏油中配制了51个二元掺伪和63个三元掺伪紫苏油样品。根据鉴别目的,从154个总样品中获得两个数据集,一个是由40个纯紫苏油和114个掺伪紫苏油构成的真伪紫苏油二分类数据集;另一个是由40个纯紫苏油、51个二元掺伪和63个三元掺伪紫苏油构成的真伪紫苏油三分类数据集。然后采用主成分分析(PCA)、簇类独立软模式(SIMCA)、偏最小二乘-判别分析(PLS-DA)和极限学习机(ELM)4种方法,依次对以上两个数据集进行分类。使用混淆矩阵可视化分类结果,并用准确率、精确率、召回率、F1分数对模型性能进行评价。结果表明,对于真伪紫苏油二分类和三分类数据集,PLS-DA均为最佳模型,预测准确率分别为98.04%和100%。因此,紫外可见光谱结合化学模式识别可以实现真伪紫苏油的快速准确鉴别。 展开更多
关键词 紫苏油 紫外可见光谱 化学模式识别 真伪鉴别
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催化剂研究中的X射线光电子能谱(XPS)分析方法概述 被引量:1
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作者 赵志娟 徐鹏 +2 位作者 章小余 屈宝龙 刘芬 《中国无机分析化学》 北大核心 2025年第1期44-55,共12页
催化剂在现代化工领域扮演着至关重要的角色,在提高生产效率、降低能源消耗以及减少环境污染等方面起着不可替代的作用。随着科学认知的不断提升,催化剂的研究已经从宏观的动力学性能评估,深入到微观的分子层面和电子结构分析。作为材... 催化剂在现代化工领域扮演着至关重要的角色,在提高生产效率、降低能源消耗以及减少环境污染等方面起着不可替代的作用。随着科学认知的不断提升,催化剂的研究已经从宏观的动力学性能评估,深入到微观的分子层面和电子结构分析。作为材料表界面研究领域中最有效的一种分析方法,在过去几十年里X射线光电子能谱(XPS)技术以其坚实的物理学基础和表面灵敏性已经成为研究催化材料的标准分析工具,且随着XPS仪器的日益普及,其应用也在不断增长。然而催化剂材料中的活性组分多趋于低含量、小尺度且成分复杂不稳定,对XPS高质量测试提出了巨大挑战。对催化剂研究中的常规XPS分析方法进行系统性的综述,对样品制备、实验设计、数据处理与谱图解析等流程中存在的问题和可能的处理方法进行了讨论,并对XPS技术在催化领域的应用前景进行了展望,以期为其他材料研究提供参考和启示。 展开更多
关键词 催化剂 X射线光电子能谱(XPS) 多相催化 纳米颗粒
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基于卷积神经网络组合算法的卷烟牌号在线分类识别研究 被引量:1
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作者 李石头 廖付 +8 位作者 吴继忠 张军 徐梦瑶 丁伟 李永生 李淑彪 何文苗 王辉 毕一鸣 《分析测试学报》 北大核心 2025年第3期514-520,共7页
为探究烟丝在线近红外光谱与卷烟牌号间的关系,提出了一种基于ResNeXt18-CNN-LightGBM混合模型的卷烟牌号分类识别方法。首先对采集的烟丝样本在线光谱数据进行预处理,并利用ResNeXt18网络模型对预处理后的光谱进行初次特征提取。然后... 为探究烟丝在线近红外光谱与卷烟牌号间的关系,提出了一种基于ResNeXt18-CNN-LightGBM混合模型的卷烟牌号分类识别方法。首先对采集的烟丝样本在线光谱数据进行预处理,并利用ResNeXt18网络模型对预处理后的光谱进行初次特征提取。然后将提取后的特征输入自定义的3层卷积神经(CNN)网络模型中,进行二次特征提取。最后将CNN提取的特征代入LightGBM分类器进行牌号分类训练。结果表明,ResNeXt18-CNN-LightGBM模型中烟丝牌号分类的准确率达97%。相较于传统的单个化学计量学算法,该文提出的基于卷积神经网络组合算法的卷烟牌号分类识别方法简单易行、准确性高、稳定性好,可应用于卷烟工业生产中卷烟牌号的在线识别,对卷烟品牌管理、生产质量评价及卷烟质量管控具有重要意义。 展开更多
关键词 在线近红外光谱 卷烟牌号 ResNeXt18 LightGBM 分类效果
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基于近红外光谱技术快速定量检测香菇面制品中香菇含量的研究 被引量:7
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作者 弓志青 张永琥 +3 位作者 沈小刚 陆秀香 贾凤娟 王文亮 《中国果菜》 2025年第1期8-12,37,共6页
为定量检测香菇面制品中香菇含量,采用近红外光谱扫描添加0.5%~10%的香菇面粉样本,采用偏最小二乘法(PLS)建立含香菇面制品中香菇定量快速无损检测方法。取含香菇的面粉样本120余份,将96个样品作为定标集,24个作为验证集,进行10000 cm^(... 为定量检测香菇面制品中香菇含量,采用近红外光谱扫描添加0.5%~10%的香菇面粉样本,采用偏最小二乘法(PLS)建立含香菇面制品中香菇定量快速无损检测方法。取含香菇的面粉样本120余份,将96个样品作为定标集,24个作为验证集,进行10000 cm^(-1)~4000 cm^(-1)近红外全波长扫描,得到添加含香菇面粉的近红外原始光谱,通过Spectrum Quant软件,利用偏最小二乘法,将光谱预处理后与香菇含量建立近红外模型,并进行模型的验证与预测。结果表明,最优的预处理方法为MSC+平滑点2+二阶导数降噪2预处理,主因子数10,校正集方程与验证集方程的相关性良好(R2>99%),预测性较好(偏差<5%),模型有较好的准确度,为香菇面制品中香菇含量的检测提供了方法基础。 展开更多
关键词 近红外光谱 快速检测 香菇 面制品
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基于近红外光谱的灌浆期玉米籽粒水分定量分析通用模型 被引量:2
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作者 王雪 张广月 +3 位作者 马铁民 赵肖宇 刘金明 衣淑娟 《农业工程学报》 北大核心 2025年第8期291-300,共10页
玉米育种过程中,灌浆期籽粒含水率检测时,通常需要脱粒,采集穗中间200粒为检测样本。为了保护亲本,避免破坏性检测,该研究提出一种基于近红外光谱的灌浆期玉米籽粒水分定量分析通用模型,用于灌浆期玉米籽粒水分的田间原位检测。首先构建... 玉米育种过程中,灌浆期籽粒含水率检测时,通常需要脱粒,采集穗中间200粒为检测样本。为了保护亲本,避免破坏性检测,该研究提出一种基于近红外光谱的灌浆期玉米籽粒水分定量分析通用模型,用于灌浆期玉米籽粒水分的田间原位检测。首先构建GA-IRIV-DS光谱数据处理策略。利用遗传算法(genetic algorithm,GA)和迭代保留信息变量(iterative retention of information variables,IRIV)二次波长筛选方法,提取光谱数据中有效的水分变量信息,减小特征空间维度的同时提高模型预测精度;再结合直接校正算法(direct standardization,DS),降低预测样本与建模样本的差异性,将玉米灌浆期穗尖部籽粒光谱数据校正为中间200籽粒的光谱,使水分定量分析模型能够具备中间200籽粒和穗尖部籽粒2种检测样本的通用性。在GA-IRIV-DS光谱数据处理策略的基础上,构建基于偏最小二乘法(partial lpeast squares regression,PLSR)的水分定量分析通用模型。经过验证,GA-IRIV-DS光谱数据处理策略校正后的光谱差异性降低了59.4%。为了进一步验证GA-IRIV-DS光谱数据处理策略的有效性,分析了GA+IRIVN组合波长筛选提取光谱特征,并分别与全光谱、多种典型波长筛选方法结合DS方法构建基于偏最小二乘法(PLSR)的水分定量分析模型结果相比较。试验结果表明,两种样本预测集GA-IRIVN-DS-PLSR模型效果均优于全光谱和其他模型,中间籽粒样本和穗尖部籽粒样本的预测决定系数(R^(2))达到了0.9715和0.9012,均方根误差(RMSEP)较全光谱下降了80.10%和64.60%。证明基于GA-IRIVN-DS光谱数据处理策略建立的近红外光谱水分定量分析模型具有一定泛化能力,可以为玉米育种过程中,减少检测过程中的样本破坏和提高检测效率提供可行的参考方法。 展开更多
关键词 近红外光谱 遗传算法 迭代保留信息变量 玉米籽粒水分 定量分析
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XPS谱峰拟合中的参数设置 被引量:1
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作者 姜志全 李秋花 +1 位作者 刘建一 刘婉婷 《光谱学与光谱分析》 北大核心 2025年第6期1501-1507,共7页
X射线光电子能谱(XPS)技术广泛应用于科学研究和工程技术领域。测试数据通常需要进行谱峰拟合处理,才能得到准确的谱峰结合能位置和表面物种的相对含量信息。但XPS谱峰拟合过程存在着严重的人为因素,使得拟合结果存在着比较明显的错误... X射线光电子能谱(XPS)技术广泛应用于科学研究和工程技术领域。测试数据通常需要进行谱峰拟合处理,才能得到准确的谱峰结合能位置和表面物种的相对含量信息。但XPS谱峰拟合过程存在着严重的人为因素,使得拟合结果存在着比较明显的错误。造成拟合错误的原因主要就是对谱峰信号的拟合参数没有做任何限定,或者做出了错误的限定。光电子信号有4个基本要素,即自旋轨道分裂间距、分裂谱峰强度、谱峰的形状和对称性、谱峰的半高峰宽。文章阐述了这4个基本要素的物理本质,并且给出了拟合参数设置的合理建议。XPS谱峰拟合并不是简单地做数值运算,而是需要对光电子信号的上述4个基本要素做合理的关联与约束,使得拟合后的总包络线与原始谱线尽量吻合,并且各分谱都具有明确的物理化学意义。 展开更多
关键词 X射线光电子能谱 谱峰拟合 拟合参数
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