Soil is the basis of agricultural and forestry production,and it is of great significance to obtain soil information efficiently and comprehensively for soil management.Due to the complexity of soil organic components...Soil is the basis of agricultural and forestry production,and it is of great significance to obtain soil information efficiently and comprehensively for soil management.Due to the complexity of soil organic components,it is difficult to obtain the information of soil organic components comprehensively by traditional chemical analysis method.As a non-destructive,real-time and high-throughput analysis method,mid infrared spectroscopy(MIR)has the ability to obtain soil organic environmental information efficiently and accurately.It can provide a large number of basic data for soil environmental monitoring,digital mapping,agricultural and forestry production,and help to realize the real-time monitoring of soil environment and the informatization of agriculture and forestry.In this paper,the detection process of MIR obtaining soil environmental spectral information and processing methods of spectral data were briefly introduced,and the research progress on extraction and influencing factors of mid infrared spectrum characteristics of soil in recent years was reviewed.Moreover,the significance and future development direction of soil science for the technology were discussed.展开更多
Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely use...Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely used to study the reaction mechanism of the hydrogen evolution reaction(HER),but the calculation results need to be supported by experimental results and direct evidence to confirm the mechanistic insights.In this review,we discuss the fundamental principles of the in situ spectroscopic strategy and a theoretical model for a mechanistic understanding of the HER.In addition,we investigate recent studies by in situ Fourier transform infrared(FTIR),Raman spectroscopy,and X-ray absorption spectroscopy(XAS) and cover new findings that occur at the catalyst-electrolyte interface during HER.These spectroscopic strategies provide practical ways to elucidate catalyst phase,reaction intermediate,catalyst-electrolyte interface,intermediate binding energy,metal valency state,and coordination environment during HER.展开更多
Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models...Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models to estimate protein content in cowpea. A total of 116 cowpea breeding lines with a wide range of protein contents (19.28 % to 32.04%) were selected to build the model using whole seed and ground seed samples. Partial least-squares discriminant analysis (PLS-DA) regression technique with different pre-treatments (derivatives, standard normal variate, and multiplicative scatter correction) were carried out to develop the protein prediction model. Results showed: 1) spectral plots of both the whole seed and ground seed showed higher spectral scatter at higher wavelengths (>1450 nm), 2) data pre-processing affects prediction accuracy for bot whole seed and ground seed samples, 3) prediction using ground seed samples (0.64 R<sup>2</sup> 0.85) is better than the whole seed (0.33 R<sup>2</sup> 0.78), and 4) the data pre-processing second derivative with standard normal variate has the best prediction (R<sup>2</sup>_whole seed = 0.78, R<sup>2</sup>_ground seed = 0.85). The results will be of interest in cowpea breeding programs aimed at improving total seed protein content.展开更多
The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By...The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By 2021, it became accessible to users. The synchrotron radiation infrared(SRIR) source included edge radiation(ER) and bending magnet radiation(BMR). The extracted angles in the horizontal and vertical directions were 40 and 20 mrad, respectively. The photon flux, spectral resolution, and focused spot size were measured at the BL06B endstation, and the experimental results were consistent with theoretical calculations. SRIR light has a small divergence angle, high brightness, and a wide wavelength range. As a source of IR microscopy, it can easily focus on a diffraction-limited spatial resolution with a high signal-to-noise ratio(SNR). The BL06B endstation can be applied in a wide range of research fields, including materials, chemistry, biology, geophysics, and pharmacology.展开更多
Relativistic femtosecond mid-infrared pulses can be generated efficiently by laser interaction with near-criticaldensity plasmas.It is found theoretically and numerically that the radiation pressure of a circularly po...Relativistic femtosecond mid-infrared pulses can be generated efficiently by laser interaction with near-criticaldensity plasmas.It is found theoretically and numerically that the radiation pressure of a circularly polarized laser pulse first compresses the plasma electrons to form a dense flying mirror with a relativistic high speed.The pulse reflected by the mirror is red-shifted to the mid-infrared range.Full three-dimensional simulations demonstrate that the central wavelength of the mid-infrared pulse is tunable from 3µm to 14µm,and the laser energy conversion efficiency can reach as high as 13%.With a 0.5–10 PW incident laser pulse,the generated mid-infrared pulse reaches a peak power of 10–180 TW,which is interesting for various applications in ultrafast and high-field sciences.展开更多
After stroke,even high-functioning individuals may experience compromised bimanual coordination and fine motor dexterity,leading to reduced functional independence.Bilateral arm training has been proposed as a promisi...After stroke,even high-functioning individuals may experience compromised bimanual coordination and fine motor dexterity,leading to reduced functional independence.Bilateral arm training has been proposed as a promising intervention to address these deficits.However,the neural basis of the impairment of functional fine motor skills and their relationship to bimanual coordination performance in stroke patients remains unclear,limiting the development of more targeted interventions.To address this gap,our study employed functional near-infrared spectroscopy to investigate cortical responses in patients after stroke as they perform functional tasks that engage fine motor control and coordination.Twenty-four high-functioning patients with ischemic stroke(7 women,17 men;mean age 64.75±10.84 years)participated in this cross-sectional observational study and completed four subtasks from the Purdue Pegboard Test,which measures unimanual and bimanual finger and hand dexterity.We found significant bilateral activation of the sensorimotor cortices during all Purdue Pegboard Test subtasks,with bimanual tasks inducing higher cortical activation than the assembly subtask.Importantly,patients with better bimanual coordination exhibited lower cortical activation during the other three Purdue Pegboard Test subtasks.Notably,the observed neural response patterns varied depending on the specific subtask.In the unaffected hand task,the differences were primarily observed in the ipsilesional hemisphere.In contrast,the bilateral sensorimotor cortices and the contralesional hemisphere played a more prominent role in the bimanual task and assembly task,respectively.While significant correlations were found between cortical activation and unimanual tasks,no significant correlations were observed with bimanual tasks.This study provides insights into the neural basis of bimanual coordination and fine motor skills in high-functioning patients after stroke,highlighting task-dependent neural responses.The findings also suggest that patients who exhibit better bimanual performance demonstrate more efficient cortical activation.Therefore,incorporating bilateral arm training in post-stroke rehabilitation is important for better outcomes.The combination of functional near-infrared spectroscopy with functional motor paradigms is valuable for assessing skills and developing targeted interventions in stroke rehabilitation.展开更多
Non-invasive cerebral neuromodulation technologies are essential for the reorganization of cerebral neural networks,which have been widely applied in the field of central neurological diseases,such as stroke,Parkinson...Non-invasive cerebral neuromodulation technologies are essential for the reorganization of cerebral neural networks,which have been widely applied in the field of central neurological diseases,such as stroke,Parkinson’s disease,and mental disorders.Although significant advances have been made in neuromodulation technologies,the identification of optimal neurostimulation paramete rs including the co rtical target,duration,and inhibition or excitation pattern is still limited due to the lack of guidance for neural circuits.Moreove r,the neural mechanism unde rlying neuromodulation for improved behavioral performance remains poorly understood.Recently,advancements in neuroimaging have provided insight into neuromodulation techniques.Functional near-infrared spectroscopy,as a novel non-invasive optical brain imaging method,can detect brain activity by measuring cerebral hemodynamics with the advantages of portability,high motion tole rance,and anti-electromagnetic interference.Coupling functional near-infra red spectroscopy with neuromodulation technologies offe rs an opportunity to monitor the cortical response,provide realtime feedbac k,and establish a closed-loop strategy integrating evaluation,feedbac k,and intervention for neurostimulation,which provides a theoretical basis for development of individualized precise neuro rehabilitation.We aimed to summarize the advantages of functional near-infra red spectroscopy and provide an ove rview of the current research on functional near-infrared spectroscopy in transcranial magnetic stimulation,transcranial electrical stimulation,neurofeedback,and braincomputer interfaces.Furthermore,the future perspectives and directions for the application of functional near-infrared spectroscopy in neuromodulation are summarized.In conclusion,functional near-infrared spectroscopy combined with neuromodulation may promote the optimization of central pellral reorganization to achieve better functional recovery form central nervous system diseases.展开更多
With the development of mid-infrared (MIR) photoelectric devices, mid-infrared spectroscopy has become one of the important methods for non-invasive detection of blood glucose. The mid-infrared region (4000 - 400 cm&l...With the development of mid-infrared (MIR) photoelectric devices, mid-infrared spectroscopy has become one of the important methods for non-invasive detection of blood glucose. The mid-infrared region (4000 - 400 cm<sup>-1</sup>) has the well-known fingerprint region (1200 - 800 cm<sup>-1</sup>) of glucose, which has clearer characteristic absorption peaks and better specificity. There is a lot of molecular information about glucose in the MIR. The non-invasive detection of blood glucose by mid-infrared spectroscopy needs to achieve certain accuracy, and the quantitative model is an important factor affecting the accuracy of glucose detection. In this paper, the samples of imitation solution containing only glucose and the samples of imitation mixed solution are taken as the research objects, and the mid-infrared spectral data of the samples are collected. The full spectrum partial least squares Regression (PLSR) model, SNV + Ctr-PLSR model, MSC + Ctr-PLSR model, and convolutional neural networks (CNN) model of 3000 - 900 cm<sup>-1</sup> band were constructed. Full spectrum PLS model and CNN model of 1200 - 900 cm<sup>-1</sup> band were constructed. The experimental results show that the optimal model of the two bands is CNN, then the correlation coefficient of prediction set (Rp) of 3000 - 900 cm<sup>-1</sup> band is 0.95, and the root mean square error of pre-diction set (RMSEP) value is 22.10. The Rp of 1200 - 900 cm<sup>-1</sup> band is 0.95, and the RMSEP value is 22.54. The research results show that CNN is a promising method, which has higher accuracy than PLSR, and is especially suitable for modeling human complex environment. In addition, the study provides a theoretical and practical basis for CNN in feature selection and model interpretation.展开更多
One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness.The rapid and accurate identification mechanism for lard adulteration in meat produ...One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness.The rapid and accurate identification mechanism for lard adulteration in meat products is highly necessary,for developing a mechanism trusted by consumers and that can be used to make a definitive diagnosis.Fourier Transform Infrared Spectroscopy(FTIR)is used in this work to identify lard adulteration in cow,lamb,and chicken samples.A simplified extraction method was implied to obtain the lipids from pure and adulterated meat.Adulterated samples were obtained by mixing lard with chicken,lamb,and beef with different concentrations(10%–50%v/v).Principal component analysis(PCA)and partial least square(PLS)were used to develop a calibration model at 800–3500 cm^(−1).Three-dimension PCA was successfully used by dividing the spectrum in three regions to classify lard meat adulteration in chicken,lamb,and beef samples.The corresponding FTIR peaks for the lard have been observed at 1159.6,1743.4,2853.1,and 2922.5 cm−1,which differentiate chicken,lamb,and beef samples.The wavenumbers offer the highest determination coefficient R2 value of 0.846 and lowest root mean square error of calibration(RMSEC)and root mean square error prediction(RMSEP)with an accuracy of 84.6%.Even the tiniest fat adulteration up to 10%can be reliably discovered using this methodology.展开更多
For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the proc...For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the process and results in a mathematical description of the process behavior as a simple function based on the most important process factors can help to achieve higher production efficiency and quality.The present study aims at characterizing a well-known industrial process,the transesterification reaction of rapeseed oil with methanol to produce fatty acid methyl esters(FAME)for usage as biodiesel in a continuous micro reactor set-up.To this end,a design of experiment approach is applied,where the effects of two process factors,the molar ratio and the total flow rate of the reactants,are investigated.The optimized process target response is the FAME mass fraction in the purified nonpolar phase of the product as a measure of reaction yield.The quantification is performed using attenuated total reflection infrared spectroscopy in combination with partial least squares regression.The data retrieved during the conduction of the DoE experimental plan were used for statistical analysis.A non-linear model indicating a synergistic interaction between the studied factors describes the reactor behavior with a high coefficient of determination(R^(2))of 0.9608.Thus,we applied a PAT approach to generate further insight into this established industrial process.展开更多
In situ and operando infrared spectroscopies are powerful techniques to support the design of novel materials for batteries and the development of new battery systems.These techniques can support the study of batterie...In situ and operando infrared spectroscopies are powerful techniques to support the design of novel materials for batteries and the development of new battery systems.These techniques can support the study of batteries by identifying the formation of new species and monitoring electrochemical energy stability.However,few works have employed these techniques,which can be used to investigate various materials,including systems beyond lithium-ion technology,in the research of batteries.Therefore,this review presents a comprehensive overview focusing on the main contributions of in situ and operando infrared spectroscopy for lithium-ion batteries(LIBs)and other battery systems.These techniques can successfully identify the formation of species during the electrolyte reduction,electrode degradation,and the formation of the solid-electrolyte interphase(SEI)layer.From these outcomes,it is possible to conclude that this characterization approach should be employed as a protocol to overcome remaining issues in batteries,consequently supporting battery research.This review aims to be a guide on how infrared spectroscopy can contribute to monitoring battery systems and to lead researchers interested in applying this technique.展开更多
Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm co...Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.展开更多
Real-time polarization medium-wave infrared(MIR)optical imaging systems enable the acquisition of infrared and polarization information for a target.At present,real-time polarization MIR devices face the following pro...Real-time polarization medium-wave infrared(MIR)optical imaging systems enable the acquisition of infrared and polarization information for a target.At present,real-time polarization MIR devices face the following problems:poor real-time performance,low transmission and high requirements for fabrication and integration.Herein,we aim to improve the performance of real-time polarization imaging systems in the MIR waveband and solve the above-mentioned defects.Therefore,we propose a MIR polarization imaging system to achieve real-time polarization-modulated imaging with high transmission as well as improved performance based on a pixel-wise metasurface micro-polarization array(PMMPA).The PMMPA element comprises several linear polarization(LP)filters with different polarization angles.The optimization results demonstrate that the transmittance of the center field of view for the LP filters is up to 77%at a wavelength of4.0μm and an extinction ratio of 88 d B.In addition,a near-diffraction-limited real-time MIR imaging optical system is designed with a field of view of 5°and an F-number of 2.The simulation results show that an MIR polarization imaging system with excellent real-time performance and high transmission is achieved by using the optimized PMMPA element.Therefore,the method is compatible with the available optical system design technologies and provides a way to realize real-time polarization imaging in MIR wavebands.展开更多
A compact prototype based on mid-infrared wavelength modulation spectroscopy(WMS)is developed for the simul-taneous monitoring of NO,NO_2,and NH_3 in the urban area.Three quantum cascade lasers(QCLs)with central frequ...A compact prototype based on mid-infrared wavelength modulation spectroscopy(WMS)is developed for the simul-taneous monitoring of NO,NO_2,and NH_3 in the urban area.Three quantum cascade lasers(QCLs)with central frequencies around 1900.0 cm^(-1),1600.0 cm^(-1),and 1103.4 cm^(-1)are used for NO,NO_2,and NH3detections,respectively,by timedivision multiplex.An open-path multi-pass cell of 60-m optical path length is applied to the instrument for high sensitivity and reducing the response time to less than 1 s.The prototype achieves a sub-ppb detection limit for all the three target gases with an average time of about 100 s.The instrument is installed in the Jiangsu environmental monitoring center to conduct performance tests on ambient air.Continuous 24-hour measurements show good agreement with the results of a reference instrument based on the chemiluminescence technique.展开更多
High-power intense optical sources in the mid-to-long wavelength infrared region are very attractive for a wide range of fields from fundamental research to materials science and biology applications.However,there are...High-power intense optical sources in the mid-to-long wavelength infrared region are very attractive for a wide range of fields from fundamental research to materials science and biology applications.However,there are still significant challenges in extending long-wavelength infrared pulses into the relativistic regime using conventional optical techniques.Here,based upon a new type of plasma-based optical method,we present an efficient scheme capable of combining several high-power long-wavelength infrared laser pulses into one single,more intense pulse,thus bringing the intensity of the output pulse to the relativistic regime.Such intense infrared pulses will open up new possibilities for strong-field physics and ultrafast applications.Furthermore,this is beneficial to understand the underlying physics and nonlinear processes of modulation,propagation and energy transfer of high-power intense laser pulses in plasmas.展开更多
Arson presents a challenging crime scene for fire investigators worldwide. Key to the investigation of suspected arson cases is the analysis of fire debris for the presence of accelerants or ignitable liquids. This st...Arson presents a challenging crime scene for fire investigators worldwide. Key to the investigation of suspected arson cases is the analysis of fire debris for the presence of accelerants or ignitable liquids. This study has investigated the application and method development of vapor phase mid-Infrared (mid-IR) spectroscopy using a field portable quantum cascade laser (QCL) based system for the detection and identification of accelerant residues such as gasoline, diesel, and ethanol in fire debris. A searchable spectral library of various ignitable fluids and fuel components measured in the vapor phase was constructed that allowed for real-time identification of accelerants present in samples using software developed in-house. Measurement of vapors collected from paper material that had been doused with an accelerant followed by controlled burning and then extinguished with water showed that positive identification could be achieved for gasoline, diesel, and ethanol. This vapor phase mid-IR QCL method is rapid, easy to use, and has the sensitivity and discrimination capability that make it well suited for non-destructive crime scene sample analysis. Sampling and measurement can be performed in minutes with this 7.5 kg instrument. This vibrational spectroscopic method required no time-consuming sample pretreatment or complicated solvent extraction procedure. The results of this initial feasibility study demonstrate that this portable fire debris analyzer would greatly benefit arson investigators performing analysis on-site.展开更多
Nitrogen content is an important parameter for petroleum refining processes. The combined use of mid-infrared attenuated total reflection spectroscopy and multivariate calibration allows accurate determination of nitr...Nitrogen content is an important parameter for petroleum refining processes. The combined use of mid-infrared attenuated total reflection spectroscopy and multivariate calibration allows accurate determination of nitrogen content in petroleum and its products. The calibration models of nitrogen content in crude oils have been established by partial least squares (PLS) method. The results predicted by this method were very close to those determined by standard methods. Compared with standard methods, this method is provided with advantages such as high-speed, simplicity and good-repeat- ability without any needs for pretreatment.展开更多
Recently,a study reported on the use of in situ electron paramagnetic resonance(EPR)spectroscopy to investigate two consecutive single-electron processes in polyimide and directly diagnose typical electrochemical reac...Recently,a study reported on the use of in situ electron paramagnetic resonance(EPR)spectroscopy to investigate two consecutive single-electron processes in polyimide and directly diagnose typical electrochemical reactions of carbonyl-based organic electrode in Li-ion batteries(LIBs).This research offers the important experimental clue for studying specific electron conversion routes of multi-electron transfer reactions in LIB materials[1].展开更多
Visible and near-infrared(vis-NIR)spectroscopy technique allows for fast and efficient determination of soil organic matter(SOM).However,a prior requirement for the vis-NIR spectroscopy technique to predict SOM is the...Visible and near-infrared(vis-NIR)spectroscopy technique allows for fast and efficient determination of soil organic matter(SOM).However,a prior requirement for the vis-NIR spectroscopy technique to predict SOM is the effective removal of redundant information.Therefore,this study aims to select three wavelength selection strategies for obtaining the spectral response characteristics of SOM.The SOM content and spectral information of 110 soil samples from the Ogan-Kuqa River Oasis were measured under laboratory conditions in July 2017.Pearson correlation analysis was introduced to preselect spectral wavelengths from the preprocessed spectra that passed the 0.01 level significance test.The successive projection algorithm(SPA),competitive adaptive reweighted sampling(CARS),and Boruta algorithm were used to detect the optimal variables from the preselected wavelengths.Finally,partial least squares regression(PLSR)and random forest(RF)models combined with the optimal wavelengths were applied to develop a quantitative estimation model of the SOM content.The results demonstrate that the optimal variables selected were mainly located near the range of spectral absorption features(i.e.,1400.0,1900.0,and 2200.0 nm),and the CARS and Boruta algorithm also selected a few visible wavelengths located in the range of 480.0–510.0 nm.Both models can achieve a more satisfactory prediction of the SOM content,and the RF model had better accuracy than the PLSR model.The SOM content prediction model established by Boruta algorithm combined with the RF model performed best with 23 variables and the model achieved the coefficient of determination(R2)of 0.78 and the residual prediction deviation(RPD)of 2.38.The Boruta algorithm effectively removed redundant information and optimized the optimal wavelengths to improve the prediction accuracy of the estimated SOM content.Therefore,combining vis-NIR spectroscopy with machine learning to estimate SOM content is an important method to improve the accuracy of SOM prediction in arid land.展开更多
基金Supported by Independent Subject of Guangxi Key Laboratory of Superior Timber Trees Resource Cultivation(2020-A-04-01)the Central Finance Demonstration Project for Promoting Forestry Science and Technology([2021]TG18)Big Data Mining Technology and Industrialization Application of Plantation Soil Environment in Guangxi(Guilin Chanye[2020]01).
文摘Soil is the basis of agricultural and forestry production,and it is of great significance to obtain soil information efficiently and comprehensively for soil management.Due to the complexity of soil organic components,it is difficult to obtain the information of soil organic components comprehensively by traditional chemical analysis method.As a non-destructive,real-time and high-throughput analysis method,mid infrared spectroscopy(MIR)has the ability to obtain soil organic environmental information efficiently and accurately.It can provide a large number of basic data for soil environmental monitoring,digital mapping,agricultural and forestry production,and help to realize the real-time monitoring of soil environment and the informatization of agriculture and forestry.In this paper,the detection process of MIR obtaining soil environmental spectral information and processing methods of spectral data were briefly introduced,and the research progress on extraction and influencing factors of mid infrared spectrum characteristics of soil in recent years was reviewed.Moreover,the significance and future development direction of soil science for the technology were discussed.
基金the immense support provided by the National Research Foundation of Korea(NRF)Grant funded by the Korean Government(MSIT)(RS-2023–00210114)the National R&D Program through the National Research Foundation of Korea(NRF)funded by Ministry of Science and ICT(2021M3D1A2051636)。
文摘Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely used to study the reaction mechanism of the hydrogen evolution reaction(HER),but the calculation results need to be supported by experimental results and direct evidence to confirm the mechanistic insights.In this review,we discuss the fundamental principles of the in situ spectroscopic strategy and a theoretical model for a mechanistic understanding of the HER.In addition,we investigate recent studies by in situ Fourier transform infrared(FTIR),Raman spectroscopy,and X-ray absorption spectroscopy(XAS) and cover new findings that occur at the catalyst-electrolyte interface during HER.These spectroscopic strategies provide practical ways to elucidate catalyst phase,reaction intermediate,catalyst-electrolyte interface,intermediate binding energy,metal valency state,and coordination environment during HER.
文摘Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models to estimate protein content in cowpea. A total of 116 cowpea breeding lines with a wide range of protein contents (19.28 % to 32.04%) were selected to build the model using whole seed and ground seed samples. Partial least-squares discriminant analysis (PLS-DA) regression technique with different pre-treatments (derivatives, standard normal variate, and multiplicative scatter correction) were carried out to develop the protein prediction model. Results showed: 1) spectral plots of both the whole seed and ground seed showed higher spectral scatter at higher wavelengths (>1450 nm), 2) data pre-processing affects prediction accuracy for bot whole seed and ground seed samples, 3) prediction using ground seed samples (0.64 R<sup>2</sup> 0.85) is better than the whole seed (0.33 R<sup>2</sup> 0.78), and 4) the data pre-processing second derivative with standard normal variate has the best prediction (R<sup>2</sup>_whole seed = 0.78, R<sup>2</sup>_ground seed = 0.85). The results will be of interest in cowpea breeding programs aimed at improving total seed protein content.
基金This work was supported by the National Natural Science Foundation of China(Nos.12204499 and 62075225)Joint Key Projects of National Natural Science Foundation of China(No.U2032206)+1 种基金CAS Project for Young Scientists in Basic Research(No.YSBR-042)Open Project of State Key Laboratory of Surface Physics at Fudan University(No.KF2022_05).
文摘The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By 2021, it became accessible to users. The synchrotron radiation infrared(SRIR) source included edge radiation(ER) and bending magnet radiation(BMR). The extracted angles in the horizontal and vertical directions were 40 and 20 mrad, respectively. The photon flux, spectral resolution, and focused spot size were measured at the BL06B endstation, and the experimental results were consistent with theoretical calculations. SRIR light has a small divergence angle, high brightness, and a wide wavelength range. As a source of IR microscopy, it can easily focus on a diffraction-limited spatial resolution with a high signal-to-noise ratio(SNR). The BL06B endstation can be applied in a wide range of research fields, including materials, chemistry, biology, geophysics, and pharmacology.
基金supported by the National Natural Science Foundation of China(Grant Nos.12375244,12135009,and 12275356)the Hunan Provincial Innovation Foun-dation for Postgraduate(Grant Nos.CX20210062 and CX20230006).
文摘Relativistic femtosecond mid-infrared pulses can be generated efficiently by laser interaction with near-criticaldensity plasmas.It is found theoretically and numerically that the radiation pressure of a circularly polarized laser pulse first compresses the plasma electrons to form a dense flying mirror with a relativistic high speed.The pulse reflected by the mirror is red-shifted to the mid-infrared range.Full three-dimensional simulations demonstrate that the central wavelength of the mid-infrared pulse is tunable from 3µm to 14µm,and the laser energy conversion efficiency can reach as high as 13%.With a 0.5–10 PW incident laser pulse,the generated mid-infrared pulse reaches a peak power of 10–180 TW,which is interesting for various applications in ultrafast and high-field sciences.
基金supported by the National Key R&D Program of China,No.2020YFC2004202(to DX).
文摘After stroke,even high-functioning individuals may experience compromised bimanual coordination and fine motor dexterity,leading to reduced functional independence.Bilateral arm training has been proposed as a promising intervention to address these deficits.However,the neural basis of the impairment of functional fine motor skills and their relationship to bimanual coordination performance in stroke patients remains unclear,limiting the development of more targeted interventions.To address this gap,our study employed functional near-infrared spectroscopy to investigate cortical responses in patients after stroke as they perform functional tasks that engage fine motor control and coordination.Twenty-four high-functioning patients with ischemic stroke(7 women,17 men;mean age 64.75±10.84 years)participated in this cross-sectional observational study and completed four subtasks from the Purdue Pegboard Test,which measures unimanual and bimanual finger and hand dexterity.We found significant bilateral activation of the sensorimotor cortices during all Purdue Pegboard Test subtasks,with bimanual tasks inducing higher cortical activation than the assembly subtask.Importantly,patients with better bimanual coordination exhibited lower cortical activation during the other three Purdue Pegboard Test subtasks.Notably,the observed neural response patterns varied depending on the specific subtask.In the unaffected hand task,the differences were primarily observed in the ipsilesional hemisphere.In contrast,the bilateral sensorimotor cortices and the contralesional hemisphere played a more prominent role in the bimanual task and assembly task,respectively.While significant correlations were found between cortical activation and unimanual tasks,no significant correlations were observed with bimanual tasks.This study provides insights into the neural basis of bimanual coordination and fine motor skills in high-functioning patients after stroke,highlighting task-dependent neural responses.The findings also suggest that patients who exhibit better bimanual performance demonstrate more efficient cortical activation.Therefore,incorporating bilateral arm training in post-stroke rehabilitation is important for better outcomes.The combination of functional near-infrared spectroscopy with functional motor paradigms is valuable for assessing skills and developing targeted interventions in stroke rehabilitation.
文摘Non-invasive cerebral neuromodulation technologies are essential for the reorganization of cerebral neural networks,which have been widely applied in the field of central neurological diseases,such as stroke,Parkinson’s disease,and mental disorders.Although significant advances have been made in neuromodulation technologies,the identification of optimal neurostimulation paramete rs including the co rtical target,duration,and inhibition or excitation pattern is still limited due to the lack of guidance for neural circuits.Moreove r,the neural mechanism unde rlying neuromodulation for improved behavioral performance remains poorly understood.Recently,advancements in neuroimaging have provided insight into neuromodulation techniques.Functional near-infrared spectroscopy,as a novel non-invasive optical brain imaging method,can detect brain activity by measuring cerebral hemodynamics with the advantages of portability,high motion tole rance,and anti-electromagnetic interference.Coupling functional near-infra red spectroscopy with neuromodulation technologies offe rs an opportunity to monitor the cortical response,provide realtime feedbac k,and establish a closed-loop strategy integrating evaluation,feedbac k,and intervention for neurostimulation,which provides a theoretical basis for development of individualized precise neuro rehabilitation.We aimed to summarize the advantages of functional near-infra red spectroscopy and provide an ove rview of the current research on functional near-infrared spectroscopy in transcranial magnetic stimulation,transcranial electrical stimulation,neurofeedback,and braincomputer interfaces.Furthermore,the future perspectives and directions for the application of functional near-infrared spectroscopy in neuromodulation are summarized.In conclusion,functional near-infrared spectroscopy combined with neuromodulation may promote the optimization of central pellral reorganization to achieve better functional recovery form central nervous system diseases.
文摘With the development of mid-infrared (MIR) photoelectric devices, mid-infrared spectroscopy has become one of the important methods for non-invasive detection of blood glucose. The mid-infrared region (4000 - 400 cm<sup>-1</sup>) has the well-known fingerprint region (1200 - 800 cm<sup>-1</sup>) of glucose, which has clearer characteristic absorption peaks and better specificity. There is a lot of molecular information about glucose in the MIR. The non-invasive detection of blood glucose by mid-infrared spectroscopy needs to achieve certain accuracy, and the quantitative model is an important factor affecting the accuracy of glucose detection. In this paper, the samples of imitation solution containing only glucose and the samples of imitation mixed solution are taken as the research objects, and the mid-infrared spectral data of the samples are collected. The full spectrum partial least squares Regression (PLSR) model, SNV + Ctr-PLSR model, MSC + Ctr-PLSR model, and convolutional neural networks (CNN) model of 3000 - 900 cm<sup>-1</sup> band were constructed. Full spectrum PLS model and CNN model of 1200 - 900 cm<sup>-1</sup> band were constructed. The experimental results show that the optimal model of the two bands is CNN, then the correlation coefficient of prediction set (Rp) of 3000 - 900 cm<sup>-1</sup> band is 0.95, and the root mean square error of pre-diction set (RMSEP) value is 22.10. The Rp of 1200 - 900 cm<sup>-1</sup> band is 0.95, and the RMSEP value is 22.54. The research results show that CNN is a promising method, which has higher accuracy than PLSR, and is especially suitable for modeling human complex environment. In addition, the study provides a theoretical and practical basis for CNN in feature selection and model interpretation.
文摘One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness.The rapid and accurate identification mechanism for lard adulteration in meat products is highly necessary,for developing a mechanism trusted by consumers and that can be used to make a definitive diagnosis.Fourier Transform Infrared Spectroscopy(FTIR)is used in this work to identify lard adulteration in cow,lamb,and chicken samples.A simplified extraction method was implied to obtain the lipids from pure and adulterated meat.Adulterated samples were obtained by mixing lard with chicken,lamb,and beef with different concentrations(10%–50%v/v).Principal component analysis(PCA)and partial least square(PLS)were used to develop a calibration model at 800–3500 cm^(−1).Three-dimension PCA was successfully used by dividing the spectrum in three regions to classify lard meat adulteration in chicken,lamb,and beef samples.The corresponding FTIR peaks for the lard have been observed at 1159.6,1743.4,2853.1,and 2922.5 cm−1,which differentiate chicken,lamb,and beef samples.The wavenumbers offer the highest determination coefficient R2 value of 0.846 and lowest root mean square error of calibration(RMSEC)and root mean square error prediction(RMSEP)with an accuracy of 84.6%.Even the tiniest fat adulteration up to 10%can be reliably discovered using this methodology.
文摘For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the process and results in a mathematical description of the process behavior as a simple function based on the most important process factors can help to achieve higher production efficiency and quality.The present study aims at characterizing a well-known industrial process,the transesterification reaction of rapeseed oil with methanol to produce fatty acid methyl esters(FAME)for usage as biodiesel in a continuous micro reactor set-up.To this end,a design of experiment approach is applied,where the effects of two process factors,the molar ratio and the total flow rate of the reactants,are investigated.The optimized process target response is the FAME mass fraction in the purified nonpolar phase of the product as a measure of reaction yield.The quantification is performed using attenuated total reflection infrared spectroscopy in combination with partial least squares regression.The data retrieved during the conduction of the DoE experimental plan were used for statistical analysis.A non-linear model indicating a synergistic interaction between the studied factors describes the reactor behavior with a high coefficient of determination(R^(2))of 0.9608.Thus,we applied a PAT approach to generate further insight into this established industrial process.
基金the financial support received from Kansas State University and the UNICAMP Development Foundation (FUNCAMP)the Brazilian Coordination for the Improvement of Higher Education Personnel–CAPES (Pr Int 88887.572651/2020-00+8 种基金88887.374731/2019-00)the financial support from the Brazilian National Council for Scientific and Technological Development–CNPq (310544/2019-0-PQ-2 grant)the S?o Paulo Research Foundation–FAPESP (2020/04431-02017/11958-12014/02163-7)the UNICAMP Development Foundation–FUNCAMP,Shellthe strategic importance of the support given by Brazil’s National Oil,Natural Gas,and Biofuels Agency–ANP via the R&D levy regulationNational Science Foundation Grant (1743701)CMMI NSF CAREER Grant (1454151)。
文摘In situ and operando infrared spectroscopies are powerful techniques to support the design of novel materials for batteries and the development of new battery systems.These techniques can support the study of batteries by identifying the formation of new species and monitoring electrochemical energy stability.However,few works have employed these techniques,which can be used to investigate various materials,including systems beyond lithium-ion technology,in the research of batteries.Therefore,this review presents a comprehensive overview focusing on the main contributions of in situ and operando infrared spectroscopy for lithium-ion batteries(LIBs)and other battery systems.These techniques can successfully identify the formation of species during the electrolyte reduction,electrode degradation,and the formation of the solid-electrolyte interphase(SEI)layer.From these outcomes,it is possible to conclude that this characterization approach should be employed as a protocol to overcome remaining issues in batteries,consequently supporting battery research.This review aims to be a guide on how infrared spectroscopy can contribute to monitoring battery systems and to lead researchers interested in applying this technique.
基金funded by Livestock Improvement Corporation(LIC)the New Zealand Ministry for Primary Industries,through the Sustainable Food&Fibre Futures programme.
文摘Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.
基金Project supported by the National Key R&D Program of China(Grant No.SKLA02020001A05)。
文摘Real-time polarization medium-wave infrared(MIR)optical imaging systems enable the acquisition of infrared and polarization information for a target.At present,real-time polarization MIR devices face the following problems:poor real-time performance,low transmission and high requirements for fabrication and integration.Herein,we aim to improve the performance of real-time polarization imaging systems in the MIR waveband and solve the above-mentioned defects.Therefore,we propose a MIR polarization imaging system to achieve real-time polarization-modulated imaging with high transmission as well as improved performance based on a pixel-wise metasurface micro-polarization array(PMMPA).The PMMPA element comprises several linear polarization(LP)filters with different polarization angles.The optimization results demonstrate that the transmittance of the center field of view for the LP filters is up to 77%at a wavelength of4.0μm and an extinction ratio of 88 d B.In addition,a near-diffraction-limited real-time MIR imaging optical system is designed with a field of view of 5°and an F-number of 2.The simulation results show that an MIR polarization imaging system with excellent real-time performance and high transmission is achieved by using the optimized PMMPA element.Therefore,the method is compatible with the available optical system design technologies and provides a way to realize real-time polarization imaging in MIR wavebands.
基金Project supported by the National Key Scientific Instrument and Equipment Development,China(Grant No.2014YQ060537)the National Key Research and Development Program,China(Grant No.2016YFC0201103)
文摘A compact prototype based on mid-infrared wavelength modulation spectroscopy(WMS)is developed for the simul-taneous monitoring of NO,NO_2,and NH_3 in the urban area.Three quantum cascade lasers(QCLs)with central frequencies around 1900.0 cm^(-1),1600.0 cm^(-1),and 1103.4 cm^(-1)are used for NO,NO_2,and NH3detections,respectively,by timedivision multiplex.An open-path multi-pass cell of 60-m optical path length is applied to the instrument for high sensitivity and reducing the response time to less than 1 s.The prototype achieves a sub-ppb detection limit for all the three target gases with an average time of about 100 s.The instrument is installed in the Jiangsu environmental monitoring center to conduct performance tests on ambient air.Continuous 24-hour measurements show good agreement with the results of a reference instrument based on the chemiluminescence technique.
基金the National Postdoctoral Program for Innovative Talents of China(No.BX20220206)。
文摘High-power intense optical sources in the mid-to-long wavelength infrared region are very attractive for a wide range of fields from fundamental research to materials science and biology applications.However,there are still significant challenges in extending long-wavelength infrared pulses into the relativistic regime using conventional optical techniques.Here,based upon a new type of plasma-based optical method,we present an efficient scheme capable of combining several high-power long-wavelength infrared laser pulses into one single,more intense pulse,thus bringing the intensity of the output pulse to the relativistic regime.Such intense infrared pulses will open up new possibilities for strong-field physics and ultrafast applications.Furthermore,this is beneficial to understand the underlying physics and nonlinear processes of modulation,propagation and energy transfer of high-power intense laser pulses in plasmas.
文摘Arson presents a challenging crime scene for fire investigators worldwide. Key to the investigation of suspected arson cases is the analysis of fire debris for the presence of accelerants or ignitable liquids. This study has investigated the application and method development of vapor phase mid-Infrared (mid-IR) spectroscopy using a field portable quantum cascade laser (QCL) based system for the detection and identification of accelerant residues such as gasoline, diesel, and ethanol in fire debris. A searchable spectral library of various ignitable fluids and fuel components measured in the vapor phase was constructed that allowed for real-time identification of accelerants present in samples using software developed in-house. Measurement of vapors collected from paper material that had been doused with an accelerant followed by controlled burning and then extinguished with water showed that positive identification could be achieved for gasoline, diesel, and ethanol. This vapor phase mid-IR QCL method is rapid, easy to use, and has the sensitivity and discrimination capability that make it well suited for non-destructive crime scene sample analysis. Sampling and measurement can be performed in minutes with this 7.5 kg instrument. This vibrational spectroscopic method required no time-consuming sample pretreatment or complicated solvent extraction procedure. The results of this initial feasibility study demonstrate that this portable fire debris analyzer would greatly benefit arson investigators performing analysis on-site.
文摘Nitrogen content is an important parameter for petroleum refining processes. The combined use of mid-infrared attenuated total reflection spectroscopy and multivariate calibration allows accurate determination of nitrogen content in petroleum and its products. The calibration models of nitrogen content in crude oils have been established by partial least squares (PLS) method. The results predicted by this method were very close to those determined by standard methods. Compared with standard methods, this method is provided with advantages such as high-speed, simplicity and good-repeat- ability without any needs for pretreatment.
文摘Recently,a study reported on the use of in situ electron paramagnetic resonance(EPR)spectroscopy to investigate two consecutive single-electron processes in polyimide and directly diagnose typical electrochemical reactions of carbonyl-based organic electrode in Li-ion batteries(LIBs).This research offers the important experimental clue for studying specific electron conversion routes of multi-electron transfer reactions in LIB materials[1].
基金supported by the Key Project of Natural Science Foundation of Xinjiang Uygur Autonomous Region,China(2021D01D06)the National Natural Science Foundation of China(41961059)。
文摘Visible and near-infrared(vis-NIR)spectroscopy technique allows for fast and efficient determination of soil organic matter(SOM).However,a prior requirement for the vis-NIR spectroscopy technique to predict SOM is the effective removal of redundant information.Therefore,this study aims to select three wavelength selection strategies for obtaining the spectral response characteristics of SOM.The SOM content and spectral information of 110 soil samples from the Ogan-Kuqa River Oasis were measured under laboratory conditions in July 2017.Pearson correlation analysis was introduced to preselect spectral wavelengths from the preprocessed spectra that passed the 0.01 level significance test.The successive projection algorithm(SPA),competitive adaptive reweighted sampling(CARS),and Boruta algorithm were used to detect the optimal variables from the preselected wavelengths.Finally,partial least squares regression(PLSR)and random forest(RF)models combined with the optimal wavelengths were applied to develop a quantitative estimation model of the SOM content.The results demonstrate that the optimal variables selected were mainly located near the range of spectral absorption features(i.e.,1400.0,1900.0,and 2200.0 nm),and the CARS and Boruta algorithm also selected a few visible wavelengths located in the range of 480.0–510.0 nm.Both models can achieve a more satisfactory prediction of the SOM content,and the RF model had better accuracy than the PLSR model.The SOM content prediction model established by Boruta algorithm combined with the RF model performed best with 23 variables and the model achieved the coefficient of determination(R2)of 0.78 and the residual prediction deviation(RPD)of 2.38.The Boruta algorithm effectively removed redundant information and optimized the optimal wavelengths to improve the prediction accuracy of the estimated SOM content.Therefore,combining vis-NIR spectroscopy with machine learning to estimate SOM content is an important method to improve the accuracy of SOM prediction in arid land.
