The Fourier Transform Infrared(FTIR)and Fourier transform Raman(FT-Raman)spectra of 1,3-Diphenyl Propenone were recorded in the regions 4000~400 and 4000~100 cm^-1,respectively,in the solid phase.Molecular electronic ...The Fourier Transform Infrared(FTIR)and Fourier transform Raman(FT-Raman)spectra of 1,3-Diphenyl Propenone were recorded in the regions 4000~400 and 4000~100 cm^-1,respectively,in the solid phase.Molecular electronic energy,geometrical structure,harmonic vibrational spectra was computed at the DFT/6-31G(d,p)and three parameter hybrid functional Lee-Yang-Parr/6-31G(d,p)levels of theory.The vibrational studies were interpreted in terms of potential energy distribution(PED).The results were compared with experimental values with the help of scaling procedures.Most of the modes have wave numbers in the expected range and are in good agreement with computed values and also the molecular properties of Mulliken population analysis have been calculated.Besides,thermodynamic properties were performed.展开更多
Recently,an article on ^(1)H solid-state NMR spectra was published,in which the authors proposed a deep learning approach to infer the pure isotropic proton NMR spectra obtained at an infinite magic angle spinning(MAS...Recently,an article on ^(1)H solid-state NMR spectra was published,in which the authors proposed a deep learning approach to infer the pure isotropic proton NMR spectra obtained at an infinite magic angle spinning(MAS)rate.This approach even allowed to obtain,by far,the best resolved ^(1)H spectra of molecular solids[1](https://doi.org/10.1002/anie.202216607).Deep learning based artificial intelligence is developing rapidly,and its application is deepening.Currently,there are many applications of deep learning in the field of magnetic resonance,such as the reconstruction of the under-sampled multidimensional spectra[2-4],the deconvolution of two-dimensional NMR spectra[5]and noise suppression and weak peak retrial[6],etc.展开更多
We delve into the phenomenon of high-order harmonic generation within a helium atom under the influence of a plasmon-assisted shaping pulse.Our findings reveal an intriguing manipulation of the frequency peak position...We delve into the phenomenon of high-order harmonic generation within a helium atom under the influence of a plasmon-assisted shaping pulse.Our findings reveal an intriguing manipulation of the frequency peak position in the harmonic emission by adjusting the absolute phase parameter within the frequency domain of the shaping pulse.This phenomenon holds potential significance for experimental setups necessitating precisely tuned single harmonics.Notably,we observe a modulated shift in the created harmonic photon energy,spanning an impressive range of 1.2 eV.This frequency peak shift is rooted in the asymmetry exhibited by the rising and falling edges of the laser pulse,directly influencing the position of the peak frequency emission.Our study quantifies the dependence of this tuning range and the asymmetry of the laser pulse,offering valuable insights into the underlying mechanisms driving this phenomenon.Furthermore,our investigation uncovers the emergence of semi-integer order harmonics as the phase parameter is altered.We attribute this discovery to the intricate interference between harmonics generated by the primary and secondary return cores.This observation introduces an innovative approach for generating semi-integer order harmonics,thus expanding our understanding of high-order harmonic generation.Ultimately,our work contributes to the broader comprehension of complex phenomena in laser-matter interactions and provides a foundation for harnessing these effects in various applications,particularly those involving precise spectral control and the generation of unique harmonic patterns.展开更多
A vacuum ultraviolet(VUV)spectroscopy with a focal length of 1 m has been engineered specifically for observing edge impurity emissions in Experimental Advanced Superconducting Tokamak(EAST).In this study,wavelength c...A vacuum ultraviolet(VUV)spectroscopy with a focal length of 1 m has been engineered specifically for observing edge impurity emissions in Experimental Advanced Superconducting Tokamak(EAST).In this study,wavelength calibration for the VUV spectroscopy is achieved utilizing a zinc lamp.The grating angle and charge-coupled device(CCD)position are carefully calibrated for different wavelength positions.The wavelength calibration of the VUV spectroscopy is crucial for improving the accuracy of impurity spectral data,and is required to identify more impurity spectral lines for impurity transport research.Impurity spectra of EAST plasmas have also been obtained in the wavelength range of 50–300 nm with relatively high spectral resolution.It is found that the impurity emissions in the edge region are still dominated by low-Z impurities,such as carbon,oxygen,and nitrogen,albeit with the application of fulltungsten divertors on the EAST tokamak.展开更多
Manganese-based perovskite is popular for research on ferromagnetic materials,and its spectroscopic studies are essential for understanding its electronic structure,dielectric,electrical,and magnetic properties.In thi...Manganese-based perovskite is popular for research on ferromagnetic materials,and its spectroscopic studies are essential for understanding its electronic structure,dielectric,electrical,and magnetic properties.In this paper,the M-edge spectra of La ions and the M-edge,L-edge,and K-edge spectra of Mn ions in LaMnO3 are calculated by considering both the free-ion multiplet calculation and the crystal field effects.We analyze spectral shapes,identify peak origins,and estimate the oxidation states of La and Mn ions in LaMnO3 theoretically.It is concluded that La ions in LaMnO3 predominantly exist in the trivalent state,while Mn ions exist primarily in the trivalent state with a minor presence of tetravalent ions.Furthermore,the calculated spectra are in better conformity with the experimental spectra when the proportion of Mn3+is 90%and Mn4+is 10%.This article enhances our comprehension of the oxidation states of La and Mn within the crystal and also provides a valuable guidance for spectroscopic investigations of other manganates.展开更多
Multispectral and polarized focusing and imaging are key functions that are vitally important for a broad range of optical applications.Conventional techniques generally require multiple shots to unveil desired optica...Multispectral and polarized focusing and imaging are key functions that are vitally important for a broad range of optical applications.Conventional techniques generally require multiple shots to unveil desired optical information and are implemented via bulky multi-pass systems or mechanically moving parts that are difficult to integrate into compact and integrated optical systems.Here,a design of ultra-compact transversely dispersive metalens capable of both spectrum and polarization ellipticity recognition and reconstruction in just a single shot is demonstrated with both coherent and incoherent light.Our design is well suited for integrated and high-speed optical information analysis and can significantly reduce the size and weight of conventional devices while simplifying the process of collecting optical information,thereby promising for various applications,including machine vision,minimized spectrometers,material characterization,remote sensing,and other areas which require comprehensive optical analysis.展开更多
The load spectrum is a crucial factor for assess-ing the fatigue reliability of in-service rolling element bear-ings in transmission systems.For a bearing in a high-speed train gearbox,a measurement technique based on...The load spectrum is a crucial factor for assess-ing the fatigue reliability of in-service rolling element bear-ings in transmission systems.For a bearing in a high-speed train gearbox,a measurement technique based on strain detection of bearing outer ring was used to instrument the bearing and determine the time histories of the distributed load in the bearing under different gear meshing conditions.Accordingly,the load spectrum of the total radial load car-ried by the bearing was compiled.The mean value and class interval of the obtained load spectrum were found to vary non-monotonously with the speed and torque of gear mesh-ing,which was considered to be caused by the vibration of the shaft and the bearing cage.As the realistic service load input of bearing life assessment,the measured load spectrum under different gear meshing conditions can be used to pre-dict gearbox bearing life realistically based on the damage-equivalent principle and actual operating conditions.展开更多
Rice yellow mottle is considered the most destructive disease threatening rice production in Africa. Early detection of this infection in rice is essential to limit its expansion and proliferation. However, there is n...Rice yellow mottle is considered the most destructive disease threatening rice production in Africa. Early detection of this infection in rice is essential to limit its expansion and proliferation. However, there is no research devoted to the spectral detection of rice yellow mottle virus (RYMV) infection, especially in the asymptomatic or early stages. This work proposes the use of hyperspectral fluorescence and reflectance data at leaf level for the detection of this disease in asymptomatic stages. A greenhouse experiment was therefore conducted to collect hyperspectral fluorescence and reflectance data at different stages of infection. These data allowed to calculate nine vegetation indices: one from fluorescence spectra and eight from reflectance spectra. A t-test made it possible to identify, from the second day after infection, four relevant reflectance vegetation indices to discriminate healthy leaves from those infected: these are Photochemical Reflectance Index (PRI), Transformed Chlorophyll Absorption in Reflectance Index (TCARI), Structure Intensive Pigment Index (SIPI) and Simple Ratio Pigment Index (SRPI). The fluorescence index was less sensitive in detecting infection. The four significant vegetation indices for the detection of RYMV were then used to build and evaluate models for discriminating plants according to their health status by the supervised classification of support vector machine (SVM) at different stages of infection. The maximum overall accuracy is 92.5% six days after inoculation (6 DAI). The sixth day after inoculation would be the adequate day to detect RYMV. This plants discrimination was validated by the mean reflectance spectra and by the histograms showing the differences between the average reflectance vegetation indices values of the two types of plants. Our results demonstrate the feasibility of differentiating RYMV-infected samples. They suggest that support vector machine learning models could be developed to diagnose RYMV-infected plants based on vegetation indices derived from spectral profiles at early stages of disease development.展开更多
Background Nitrate leaching to groundwater and surface water and ammonia volatilization from dairy farms have negative impacts on the environment.Meanwhile,the increasing demand for dairy products will result in more ...Background Nitrate leaching to groundwater and surface water and ammonia volatilization from dairy farms have negative impacts on the environment.Meanwhile,the increasing demand for dairy products will result in more pollution if N losses are not controlled.Therefore,a more efficient,and environmentally friendly production system is needed,in which nitrogen use efficiency(NUE)of dairy cows plays a key role.To genetically improve NUE,extensively recorded and cost-effective proxies are essential,which can be obtained by including mid-infrared(MIR)spectra of milk in prediction models for NUE.This study aimed to develop and validate the best prediction model of NUE,nitrogen loss(NL)and dry matter intake(DMI)for individual dairy cows in China.Results A total of 86 lactating Chinese Holstein cows were used in this study.After data editing,704 records were obtained for calibration and validation.Six prediction models with three different machine learning algorithms and three kinds of pre-processed MIR spectra were developed for each trait.Results showed that the coefficient of determination(R2)of the best model in within-herd validation was 0.66 for NUE,0.58 for NL and 0.63 for DMI.For external validation,reasonable prediction results were only observed for NUE,with R2 ranging from 0.58 to 0.63,while the R2 of the other two traits was below 0.50.The infrared waves from 973.54 to 988.46 cm−1 and daily milk yield were the most important variables for prediction.Conclusion The results showed that individual NUE can be predicted with a moderate accuracy in both within-herd and external validations.The model of NUE could be used for the datasets that are similar to the calibration dataset.The prediction models for NL and 3-day moving average of DMI(DMI_a)generated lower accuracies in within-herd validation.Results also indicated that information of MIR spectra variables increased the predictive ability of models.Additionally,pre-processed MIR spectra do not result in higher accuracy than original MIR spectra in the external validation.These models will be applied to large-scale data to further investigate the genetic architecture of N efficiency and further reduce the adverse impacts on the environment after more data is collected.展开更多
Laser-induced breakdown spectroscopy(LIBS)is a capable technique for elementary analysis,while LIBS quantitation is still under development.In quantitation,precise laser focusing plays an important role because it ens...Laser-induced breakdown spectroscopy(LIBS)is a capable technique for elementary analysis,while LIBS quantitation is still under development.In quantitation,precise laser focusing plays an important role because it ensures the distance between the laser and samples.In the present work,we employed spectral intensity as a direct way to assist laser focusing in LIBS quantitation for copper alloys.It is found that both the air emission and the copper line could be used to determine the position of the sample surface by referencing the intensity maximum.Nevertheless,the fine quantitation was only realized at the position where the air emission(e.g.O(I)777.4 nm)reached intensity maximum,and also in this way,a repeatable quantitation was successfully achieved even after 120 days.The results suggested that the LIBS quantitation was highly dependent on the focusing position of the laser,and spectra-assisted focusing could be a simple way to find the identical condition for different samples’detection.In the future,this method might be applicable in field measurements for LIBS analysis of solids.展开更多
We consider an energy operator of four-electron system in the Impurity Hubbard model with a coupling between nearest-neighbors. The spectrum of the systems in the second triplet state in a ν-dimensional lattice is in...We consider an energy operator of four-electron system in the Impurity Hubbard model with a coupling between nearest-neighbors. The spectrum of the systems in the second triplet state in a ν-dimensional lattice is investigated. For investigation the structure of essential spectra and discrete spectrum of the energy operator of four-electron systems in an impurity Hubbard model, for which the momentum representation is convenient. In addition, we used the tensor products of Hilbert spaces and tensor products of operators in Hilbert spaces and described the structure of essential spectrum and discrete spectrum of the energy operator of four-electron systems in an impurity Hubbard model for the second triplet state of the system. The investigations show that the essential spectrum of the system consists of the union of no more than sixteen segments, and the discrete spectrum of the system consists of no more than eleven eigenvalues.展开更多
A study of a nanosecond laser irradiation on the titanium-layer-buried gold planar target is presented. The timeresolved x-ray emission spectra of titanium tracer are measured by a streaked crystal spectrometer. By co...A study of a nanosecond laser irradiation on the titanium-layer-buried gold planar target is presented. The timeresolved x-ray emission spectra of titanium tracer are measured by a streaked crystal spectrometer. By comparing the simulated spectra obtained by using the FLYCHK code with the measured titanium spectra, the temporal plasma states, i.e.,the electron temperatures and densities, are deduced. To evaluate the feasibility of using the method for the characterization of Au plasma states, the deduced plasma states from the measured titanium spectra are compared with the Multi-1D hydrodynamic simulations of laser-produced Au plasmas. By comparing the measured and simulated results, an overall agreement for the electron temperatures is found, whereas there are deviations in the electron densities. The experiment–theory discrepancy may suggest that the plasma state could not be well reproduced by the Multi-1D hydrodynamic simulation, in which the radial gradient is not taken into account. Further investigations on the spectral characterization and hydrodynamic simulations of the plasma states are needed. All the measured and FLYCHK simulated spectra are given in this paper as datasets. The datasets are openly available at http://www.doi.org/10.57760/sciencedb.j00113.00032.展开更多
Time-integrated optical emission analysis of laser-induced plasma on Teflon is presented.Plasma was induced under atmospheric pressure air using transversely excited atmospheric CO_(2) laser pulses.Teflon is a C-based...Time-integrated optical emission analysis of laser-induced plasma on Teflon is presented.Plasma was induced under atmospheric pressure air using transversely excited atmospheric CO_(2) laser pulses.Teflon is a C-based polymer that is,among other things,interesting as a substrate for laser-induced breakdown spectroscopy analysis of liquid samples.This study aimed to determine the optimal experimental conditions for obtaining neutral and ionized C spectral lines and C2 and CN molecular band emission suitable for spectrochemical purposes.Evaluation of plasma parameters was done using several spectroscopic techniques.Stark profiles of appropriate C ionic lines were used to determine electron number density.The ratio of the integral intensity of ionic-to-atomic C spectral lines was used to determine the ionization temperature.A spectral emission of C2 Swan and CN violet bands system was used to determine the temperature of the colder,peripheral parts of plasma.We critically analyzed the use of molecular emission bands as a tool for plasma diagnostics and suggested methods for possible improvements.展开更多
文摘The Fourier Transform Infrared(FTIR)and Fourier transform Raman(FT-Raman)spectra of 1,3-Diphenyl Propenone were recorded in the regions 4000~400 and 4000~100 cm^-1,respectively,in the solid phase.Molecular electronic energy,geometrical structure,harmonic vibrational spectra was computed at the DFT/6-31G(d,p)and three parameter hybrid functional Lee-Yang-Parr/6-31G(d,p)levels of theory.The vibrational studies were interpreted in terms of potential energy distribution(PED).The results were compared with experimental values with the help of scaling procedures.Most of the modes have wave numbers in the expected range and are in good agreement with computed values and also the molecular properties of Mulliken population analysis have been calculated.Besides,thermodynamic properties were performed.
基金This work was partially supported by the National Natural Science Foundation of China(Grants 22174118 and 22374124).
文摘Recently,an article on ^(1)H solid-state NMR spectra was published,in which the authors proposed a deep learning approach to infer the pure isotropic proton NMR spectra obtained at an infinite magic angle spinning(MAS)rate.This approach even allowed to obtain,by far,the best resolved ^(1)H spectra of molecular solids[1](https://doi.org/10.1002/anie.202216607).Deep learning based artificial intelligence is developing rapidly,and its application is deepening.Currently,there are many applications of deep learning in the field of magnetic resonance,such as the reconstruction of the under-sampled multidimensional spectra[2-4],the deconvolution of two-dimensional NMR spectra[5]and noise suppression and weak peak retrial[6],etc.
基金This project was supported by the National Key Research and Development Program of China(Grant Nos.2022YFE134200 and 2019YFA0307700)the National Natural Science Foundation of China(Grant Nos.11604119,12104177,11904192,12074145,and 11704147)the Fundamental Research Funds for the Central Universities(Grant Nos.GK202207012 and QCYRCXM-2022-241).
文摘We delve into the phenomenon of high-order harmonic generation within a helium atom under the influence of a plasmon-assisted shaping pulse.Our findings reveal an intriguing manipulation of the frequency peak position in the harmonic emission by adjusting the absolute phase parameter within the frequency domain of the shaping pulse.This phenomenon holds potential significance for experimental setups necessitating precisely tuned single harmonics.Notably,we observe a modulated shift in the created harmonic photon energy,spanning an impressive range of 1.2 eV.This frequency peak shift is rooted in the asymmetry exhibited by the rising and falling edges of the laser pulse,directly influencing the position of the peak frequency emission.Our study quantifies the dependence of this tuning range and the asymmetry of the laser pulse,offering valuable insights into the underlying mechanisms driving this phenomenon.Furthermore,our investigation uncovers the emergence of semi-integer order harmonics as the phase parameter is altered.We attribute this discovery to the intricate interference between harmonics generated by the primary and secondary return cores.This observation introduces an innovative approach for generating semi-integer order harmonics,thus expanding our understanding of high-order harmonic generation.Ultimately,our work contributes to the broader comprehension of complex phenomena in laser-matter interactions and provides a foundation for harnessing these effects in various applications,particularly those involving precise spectral control and the generation of unique harmonic patterns.
基金partially supported by National Natural Science Foundation of China(Nos.U23A2077,12175278,12205072)the National Magnetic Confinement Fusion Science Program of China(Nos.2019YFE0304002,2018YFE0303103)+2 种基金the Comprehensive Research Facility for Fusion Technology Program of China(No.2018-000052-73-01-001228)Major Science and Technology Infrastructure Maintenance and Reconstruction Projects of the Chinese Academy of Sciences(2021)the University Synergy Innovation Program of Anhui Province(No.GXXT2021-029)。
文摘A vacuum ultraviolet(VUV)spectroscopy with a focal length of 1 m has been engineered specifically for observing edge impurity emissions in Experimental Advanced Superconducting Tokamak(EAST).In this study,wavelength calibration for the VUV spectroscopy is achieved utilizing a zinc lamp.The grating angle and charge-coupled device(CCD)position are carefully calibrated for different wavelength positions.The wavelength calibration of the VUV spectroscopy is crucial for improving the accuracy of impurity spectral data,and is required to identify more impurity spectral lines for impurity transport research.Impurity spectra of EAST plasmas have also been obtained in the wavelength range of 50–300 nm with relatively high spectral resolution.It is found that the impurity emissions in the edge region are still dominated by low-Z impurities,such as carbon,oxygen,and nitrogen,albeit with the application of fulltungsten divertors on the EAST tokamak.
基金Project supported by the National Natural Science Foundation of China(Grant No.11974253).
文摘Manganese-based perovskite is popular for research on ferromagnetic materials,and its spectroscopic studies are essential for understanding its electronic structure,dielectric,electrical,and magnetic properties.In this paper,the M-edge spectra of La ions and the M-edge,L-edge,and K-edge spectra of Mn ions in LaMnO3 are calculated by considering both the free-ion multiplet calculation and the crystal field effects.We analyze spectral shapes,identify peak origins,and estimate the oxidation states of La and Mn ions in LaMnO3 theoretically.It is concluded that La ions in LaMnO3 predominantly exist in the trivalent state,while Mn ions exist primarily in the trivalent state with a minor presence of tetravalent ions.Furthermore,the calculated spectra are in better conformity with the experimental spectra when the proportion of Mn3+is 90%and Mn4+is 10%.This article enhances our comprehension of the oxidation states of La and Mn within the crystal and also provides a valuable guidance for spectroscopic investigations of other manganates.
基金We are grateful for financial supports from National Key Research and Development Program of China(Grant No.2021YFF0502700)National Natural Science Foundation of China(Grant Nos.52275429,62205117,61835008)+1 种基金Knowledge Innovation Program of Wuhan-Shuguang,Innovation project of Optics Valley Laboratory(Grant No.OVL2021ZD002)Hubei Provincial Natural Science Foundation of China(Grant Nos.2020CFA004,2022CFB792).
文摘Multispectral and polarized focusing and imaging are key functions that are vitally important for a broad range of optical applications.Conventional techniques generally require multiple shots to unveil desired optical information and are implemented via bulky multi-pass systems or mechanically moving parts that are difficult to integrate into compact and integrated optical systems.Here,a design of ultra-compact transversely dispersive metalens capable of both spectrum and polarization ellipticity recognition and reconstruction in just a single shot is demonstrated with both coherent and incoherent light.Our design is well suited for integrated and high-speed optical information analysis and can significantly reduce the size and weight of conventional devices while simplifying the process of collecting optical information,thereby promising for various applications,including machine vision,minimized spectrometers,material characterization,remote sensing,and other areas which require comprehensive optical analysis.
基金This research was supported by the Joint Funds of the National Natural Science Foundation of China(Grant No.U1834202).
文摘The load spectrum is a crucial factor for assess-ing the fatigue reliability of in-service rolling element bear-ings in transmission systems.For a bearing in a high-speed train gearbox,a measurement technique based on strain detection of bearing outer ring was used to instrument the bearing and determine the time histories of the distributed load in the bearing under different gear meshing conditions.Accordingly,the load spectrum of the total radial load car-ried by the bearing was compiled.The mean value and class interval of the obtained load spectrum were found to vary non-monotonously with the speed and torque of gear mesh-ing,which was considered to be caused by the vibration of the shaft and the bearing cage.As the realistic service load input of bearing life assessment,the measured load spectrum under different gear meshing conditions can be used to pre-dict gearbox bearing life realistically based on the damage-equivalent principle and actual operating conditions.
文摘Rice yellow mottle is considered the most destructive disease threatening rice production in Africa. Early detection of this infection in rice is essential to limit its expansion and proliferation. However, there is no research devoted to the spectral detection of rice yellow mottle virus (RYMV) infection, especially in the asymptomatic or early stages. This work proposes the use of hyperspectral fluorescence and reflectance data at leaf level for the detection of this disease in asymptomatic stages. A greenhouse experiment was therefore conducted to collect hyperspectral fluorescence and reflectance data at different stages of infection. These data allowed to calculate nine vegetation indices: one from fluorescence spectra and eight from reflectance spectra. A t-test made it possible to identify, from the second day after infection, four relevant reflectance vegetation indices to discriminate healthy leaves from those infected: these are Photochemical Reflectance Index (PRI), Transformed Chlorophyll Absorption in Reflectance Index (TCARI), Structure Intensive Pigment Index (SIPI) and Simple Ratio Pigment Index (SRPI). The fluorescence index was less sensitive in detecting infection. The four significant vegetation indices for the detection of RYMV were then used to build and evaluate models for discriminating plants according to their health status by the supervised classification of support vector machine (SVM) at different stages of infection. The maximum overall accuracy is 92.5% six days after inoculation (6 DAI). The sixth day after inoculation would be the adequate day to detect RYMV. This plants discrimination was validated by the mean reflectance spectra and by the histograms showing the differences between the average reflectance vegetation indices values of the two types of plants. Our results demonstrate the feasibility of differentiating RYMV-infected samples. They suggest that support vector machine learning models could be developed to diagnose RYMV-infected plants based on vegetation indices derived from spectral profiles at early stages of disease development.
基金supported by the earmarked fund for China Agriculture Research System (CARS-36)the Key Research Project of Henan Province (221111111100)+3 种基金the Key Research Project of Ningxia Hui Autonomous Region (2022BBF02017)the Program for Changjiang Scholar and Innovation Research Team in University (IRT_15R62)China Scholarship Council (No.201913043)Hainan University.
文摘Background Nitrate leaching to groundwater and surface water and ammonia volatilization from dairy farms have negative impacts on the environment.Meanwhile,the increasing demand for dairy products will result in more pollution if N losses are not controlled.Therefore,a more efficient,and environmentally friendly production system is needed,in which nitrogen use efficiency(NUE)of dairy cows plays a key role.To genetically improve NUE,extensively recorded and cost-effective proxies are essential,which can be obtained by including mid-infrared(MIR)spectra of milk in prediction models for NUE.This study aimed to develop and validate the best prediction model of NUE,nitrogen loss(NL)and dry matter intake(DMI)for individual dairy cows in China.Results A total of 86 lactating Chinese Holstein cows were used in this study.After data editing,704 records were obtained for calibration and validation.Six prediction models with three different machine learning algorithms and three kinds of pre-processed MIR spectra were developed for each trait.Results showed that the coefficient of determination(R2)of the best model in within-herd validation was 0.66 for NUE,0.58 for NL and 0.63 for DMI.For external validation,reasonable prediction results were only observed for NUE,with R2 ranging from 0.58 to 0.63,while the R2 of the other two traits was below 0.50.The infrared waves from 973.54 to 988.46 cm−1 and daily milk yield were the most important variables for prediction.Conclusion The results showed that individual NUE can be predicted with a moderate accuracy in both within-herd and external validations.The model of NUE could be used for the datasets that are similar to the calibration dataset.The prediction models for NL and 3-day moving average of DMI(DMI_a)generated lower accuracies in within-herd validation.Results also indicated that information of MIR spectra variables increased the predictive ability of models.Additionally,pre-processed MIR spectra do not result in higher accuracy than original MIR spectra in the external validation.These models will be applied to large-scale data to further investigate the genetic architecture of N efficiency and further reduce the adverse impacts on the environment after more data is collected.
基金financially supported by the Provincial Key Research and Development Program of Shandong,China(No.2019GHZ010)the Natural Science Foundation of Shandong Province(No.ZR2020MF123)+1 种基金National Natural Science Foundation of China(Nos.61975190 and12174359)the Fundamental Research Funds for the Central Universities(No.202161002)。
文摘Laser-induced breakdown spectroscopy(LIBS)is a capable technique for elementary analysis,while LIBS quantitation is still under development.In quantitation,precise laser focusing plays an important role because it ensures the distance between the laser and samples.In the present work,we employed spectral intensity as a direct way to assist laser focusing in LIBS quantitation for copper alloys.It is found that both the air emission and the copper line could be used to determine the position of the sample surface by referencing the intensity maximum.Nevertheless,the fine quantitation was only realized at the position where the air emission(e.g.O(I)777.4 nm)reached intensity maximum,and also in this way,a repeatable quantitation was successfully achieved even after 120 days.The results suggested that the LIBS quantitation was highly dependent on the focusing position of the laser,and spectra-assisted focusing could be a simple way to find the identical condition for different samples’detection.In the future,this method might be applicable in field measurements for LIBS analysis of solids.
文摘We consider an energy operator of four-electron system in the Impurity Hubbard model with a coupling between nearest-neighbors. The spectrum of the systems in the second triplet state in a ν-dimensional lattice is investigated. For investigation the structure of essential spectra and discrete spectrum of the energy operator of four-electron systems in an impurity Hubbard model, for which the momentum representation is convenient. In addition, we used the tensor products of Hilbert spaces and tensor products of operators in Hilbert spaces and described the structure of essential spectrum and discrete spectrum of the energy operator of four-electron systems in an impurity Hubbard model for the second triplet state of the system. The investigations show that the essential spectrum of the system consists of the union of no more than sixteen segments, and the discrete spectrum of the system consists of no more than eleven eigenvalues.
基金Project supported by the National Key Research and Development Program of China (Grant No.2017YFA0403300)the National Natural Science Foundation of China (Grant Nos.12074352 and 11675158)Fundamental Research Funds for the Central Universities in China (Grant No.YJ202144)。
文摘A study of a nanosecond laser irradiation on the titanium-layer-buried gold planar target is presented. The timeresolved x-ray emission spectra of titanium tracer are measured by a streaked crystal spectrometer. By comparing the simulated spectra obtained by using the FLYCHK code with the measured titanium spectra, the temporal plasma states, i.e.,the electron temperatures and densities, are deduced. To evaluate the feasibility of using the method for the characterization of Au plasma states, the deduced plasma states from the measured titanium spectra are compared with the Multi-1D hydrodynamic simulations of laser-produced Au plasmas. By comparing the measured and simulated results, an overall agreement for the electron temperatures is found, whereas there are deviations in the electron densities. The experiment–theory discrepancy may suggest that the plasma state could not be well reproduced by the Multi-1D hydrodynamic simulation, in which the radial gradient is not taken into account. Further investigations on the spectral characterization and hydrodynamic simulations of the plasma states are needed. All the measured and FLYCHK simulated spectra are given in this paper as datasets. The datasets are openly available at http://www.doi.org/10.57760/sciencedb.j00113.00032.
基金funded by the Ministry of Education,Science and Technological Development of the Republic of Serbia(Nos.451-03-68/2022-14/200017 and 451-03-68/2022-14/200146)the financial support of the State Committee on Science and Technology of the Republic of Belarusthe Belarusian Republican Foundation for Fundamental Research(No.F20SRBG-001)。
文摘Time-integrated optical emission analysis of laser-induced plasma on Teflon is presented.Plasma was induced under atmospheric pressure air using transversely excited atmospheric CO_(2) laser pulses.Teflon is a C-based polymer that is,among other things,interesting as a substrate for laser-induced breakdown spectroscopy analysis of liquid samples.This study aimed to determine the optimal experimental conditions for obtaining neutral and ionized C spectral lines and C2 and CN molecular band emission suitable for spectrochemical purposes.Evaluation of plasma parameters was done using several spectroscopic techniques.Stark profiles of appropriate C ionic lines were used to determine electron number density.The ratio of the integral intensity of ionic-to-atomic C spectral lines was used to determine the ionization temperature.A spectral emission of C2 Swan and CN violet bands system was used to determine the temperature of the colder,peripheral parts of plasma.We critically analyzed the use of molecular emission bands as a tool for plasma diagnostics and suggested methods for possible improvements.
