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Identifying the geographical origin and processing technology of Moyao(Myrrh) on the basis of near-infrared spectroscopy combined with chemometrics

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Journal of Traditional Chinese Medicine 2024年第3期44卷 505-514页

作者： XU Ningning YAN Ganming XU Fengjie DENG Linfeng QIAO Xinjiang LU Changzheng CHENG Shaomin TCM Diagnosis Institute College of Traditional Chinese MedicineJiangxi University of Chinese Medicine TCM Processing Institute Pharmaceutical CollegeJiangxi University of Chinese medicine School of Electronic Information and Artificial Intelligence Shaanxi University of Science and Technology Jiangzhong Pharmaceutical Co. Ltd. Jiangxi Guhan Refined Chinese Herbal Pieces Co. Ltd.

OBJECTIVE: To evaluate the quality of Moyao(Myrrh) in the identification of the geographical origin and processing of the products. METHODS: Raw Moyao(Myrrh) and two kinds of Moyao(Myrrh) processed with vinegar from three countries were identified using near-infrared(NIR) spectroscopy combined with chemometric techniques. Principal component analysis(PCA) was used to reduce the dimensionality of the data and visualize the clustering of samples from different categories. A classical chemometric algorithm(PLS-DA) and two machine learning algorithms [K-nearest neighbor(KNN) and support vector machine] were used to conduct a classification analysis of the near-infrared spectra of the Moyao(Myrrh) samples, and their discriminative performance was evaluated. RESULTS: Based on the accuracy, precision, recall rate, and F1 value in each model, the results showed that the classical chemometric algorithm and the machine learning algorithm obtained positive results. In all of the chemometric analyses, the NIR spectrum of Moyao(Myrrh) preprocessed by standard normal variation or Multivariate scattering correction combined with KNN achieved the highest accuracy in identifying the geographical origins, and the accuracy of identifying the processing technology established by the KNN method after first-order derivative pretreatment was the best. The best accuracy of geographical origin discrimination and processing technology discrimination were 0.9853 and 0.9706 respectively. CONCLUSIONS: NIR spectroscopy combined with chemometric technology can be an important tool for tracking the origin and processing technology of Moyao(Myrrh) and can also provide a reference for evaluations of its quality and the clinical use.

关键词： Moyao () geographical origin near-infrared spectroscopy processing technology

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Spatial sensitivity to absorption changes for various near-infrared spectroscopy methods:A compendium review

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Journal of Innovative Optical Health Sciences 2024年第4期17卷 1-115页

作者： Giles Blaney Angelo Sassaroli Sergio Fantini Department of Biomedical Engineering Tufts University 4 Colby StreetMedfordMA 02155USA

This compendium review focuses on the spatial distribution of sensitivity to localized absorption changes in optically diffuse media,particularly for measurements relevant to near-infrared spectroscopy.The three temporal domains,continuous wave,frequency domain,and time domain,each obtain different optical data types whose changes may be related to effective homogeneous changes in the absorption coefficient.Sensitivity is the relationship between a localized perturbation and the recovered effective homogeneous absorption change.Therefore,spatial sensitivity maps representing the perturbation location can be generated for the numerous optical data types in the three temporal domains.The review first presents a history of the past 30 years of work investigating this sensitivity in optically diffuse media.These works are experimental and theoretical,presenting one-,two-,and three-dimensional sensitivity maps for different near-infrared spectroscopy methods,domains,and data types.Following this history,we present a compendium of sensitivity maps organized by temporal domain and then data type.This compendium provides a valuable tool to compare the spatial sensitivity of various measurement methods and parameters in one document.Methods for one to generate these maps are provided in Appendix A,including the code.This historical review and comprehensive sensitivity map compendium provides a single source researchers may use to visualize,investigate,compare,and generate sensitivity to localized absorption change maps.

关键词： Diffuse optics diffusion theory Monte Carlo spatial sensitivity absorption perturbations near-infrared spectroscopy continuous-wave frequency-domain time-domain

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Multivariety and multimanufacturer drug identification based on near-infrared spectroscopy and recurrent neural network

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Journal of Innovative Optical Health Sciences 2022年第4期15卷 86-96页

作者： Wenjie Zeng Yunqi Qiu Yanting Huang Qingping Sun Zhuoya Luo School of Pharmaceutical Sciences Guangzhou Medical University 1 Xinzao Road Guangzhou 511436 P.R.China NMPA Key Laboratory of Rapid Drug Inspection Technology Guangdong Institute for Drug Control 766 Shenzhou Road Guangzhou 510663P.R.China

near-infrared(NIR)spectral analysis,which has the advantages of rapidness,nondestruction and high-efficiency,is widely used in the detection of feed,food and mineral.In terms of qualitative identification,it can also be used for the discriminant analysis of medicines.Long short-term memory(LSTM)neural network,bidirectional long short-term memory(BiLSTM)neural network and gated recurrent unit(GRU)network are variants of the recurrent neural network(RNN).The potential relationship between nonlinear features learned from the sequence by these variants is used to complete the missions infields such as natural language processing,signal classification and video analysis.Since the effect of these variants in drug identification is still to be studied,this paper constructs a multiclassifier of these three variants,using compoundα-keto acid tablets produced by four manufacturers and repaglinide tablets produced by five manufacturers as the research object.Then,the paper analyzes the impacts of seven different preprocessed methods on the drug NIR data by constructing different layers of LSTM,BiLSTM and GRU networks and compares different classification model indicators and training time of each model.When the spectrum data are pre-processed by z-score normalization,the GRU-3 model has the best accuracy in all models.The BiLSTM models are better for analyzing high coincidence data.The method proposed in this paper can be further extended to other NIR spectroscopy data sets.

关键词： near-infrared spectroscopy long short-term memory bidirectional long short-term memory gated recurrent unit multiple classifiers.

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Fast Determination of the Rubber Content in Taraxacum kok-saghyz Fresh Biomass Using Portable near-infrared spectroscopy and Pyrolysis-Gas Chromatography

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Journal of Analysis and Testing 2022年第4期6卷 393-400页

作者： Ying Chen Shun-Kai Gao Yi-Yang Dong Xiang Ma Jia-Ru Li Min-Min Guo Ji-Chuan Zhang College of Life Science and Technology Rubber Plant Research CenterBeijing University of Chemical TechnologyBeijing100029China College of Materials and Engineering Beijing University of Chemical TechnologyBeijing100029China

Taraxacum kok-saghyz(TKS)is a plant native to the Tianshan valley on the border between China and Kazakhstan.TKS rubber is a good substitute for natural rubber.TKS's breeding work necessitates the need to screen high-yielding varieties,hence rapid determination of rubber content is essential for the screening.Conventional analytical methods cannot meet actual needs in terms of real-time testing and economic cost.near-infrared spectroscopy analysis technology,which has developed rapidly in the field of industrial process analysis in recent years,is a green detection technology with obvious merits of fast measurement speed,low cost and no sample loss.This research aims to develop a portable non-destructive near-infrared spectroscopic detection scheme to evaluate the content of natural rubber in TKS fresh roots.Pyrolysis gas chromatography(Py-GC)was chosen as the reference method for the development of NIR prediction model.208 TKS fresh root samples were collected from the Inner Mongolia Autonomous Region of China.near-infrared spectra were acquired for all samples.Randomly,two-thirds of them were selected as the calibration set,the remaining one-third as the validation set,and the partial least squares method was successfully established a good NIR prediction model for rubber content at 1080-1800 nm with a ratio of performance to deviation(RPD)of 5.54 and coefficient of determination(R^(2))of 0.95.This study showed that portable near-infrared spectroscopy could be used with ease for large-scale screening of TKS plants in farmland,and could greatly facilitate TKS germplasm preservation,high-yield cultivation,environment-friendly,high-efficiency and low-cost rubber extraction,and comprehensive advancement of the natural rubber industry thereof.

关键词： Taraxacum kok-saghyz Rubber near-infrared spectroscopy Pyrolysis gas chromatography

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Physical and Mechanical Properties of Catalpa bungei Clones and Estimation of the Properties by near-infrared spectroscopy

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Journal of Renewable Materials 2022年第12期10卷 3285-3302页

作者： Rui Wang Lanlan Shi Yurong Wang Research Institute of Wood Industry Chinese Academy of ForestryBeijing100091China

Air-dry density,modulus of rupture(MOR),modulus of elasticity(MOE),compressive strength parallel to grain,and hardness of Catalpa bungei clones were investigated in this study with feasibility of predicting these properties by near infrared(NIR)spectroscopy.The best candidate Luoqiu 3'has been selected from three clones based on wood physical and mechanical property indices.Lower values of wood physical and mechanical properties have been found in the corewood compared to the outerwood.There were significant positive correlations between the air-dry density and mechanical properties.Information from Cross section for air dry density,compressive strength parallel to grain,and hardness yielded prediction models with better effects,along with the best MOR and MOE modeling effects resulted from average sections'spectra collection.Multiplicative scatter correction(MSC)+Savitzky-Golay(S-G)smoothing method has been proved to be the most applicable way.In addition,the predictions from five point sampling method were slightly better than three point one.Overall,results suggest NIR spectroscopy was viable to predict the physical and mechanical properties of C bungei dones with methods developed in this study proved effective in preliminary screening.

关键词： C.bungei wood density mechanical properties near-infrared spectroscopy

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Improving the non-destructive maturity classification model for durian fruit using near-infrared spectroscopy

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Artificial Intelligence in Agriculture 2023年第1期7卷 35-43页

作者： Sirirak Ditcharoen Panmanas Sirisomboon Khwantri Saengprachatanarug Arthit Phuphaphud Ronnarit Rittiron Anupun Terdwongworakul Chayuttapong Malai Chirawan Saenphon Lalita Panduangnate Jetsada Posom Department of Agricultural Engineering Faculty of EngineeringKhon Kaen UniversityKhon Kaen 40002Thailand Department of Agricultural Engineering School of EngineeringKing Mongkut's Institute of Technology LadkrabangBangkok 10520Thailand Department of Food Engineering Faculty of Engineering at KamphaengsaenKasetsart UniversityNakhon Pathom 73140Thailand Department of Agricultural Engineering Faculty of Engineering at Kamphaeng SaenKasetsart UniversityKamphaeng SaenNakhon Pathom 73140Thailand

The maturity state of durian fruit is a key indicator of quality before trading.This research aims to improve the near-infrared(NIR)model for classifying the maturity stage of durian fruit using a completely non-destructive measurement.Both NIR spectrometers were investigated:the short wavelength NIR(SWNIR)ranging from 450 to 1000 nm and long wavelength NIR(LWNIR)ranging from 860 to 1750 nm.The samples collected for experimentation consisted of four stages:immaturity,prematurity,maturity,and ripe.Each fruit was scanned at the rind position on the main fertile lobe(header,middle,and tail)and stem.The classification models were developed using three supervised machine learning algorithms:linear discriminant analysis(LDA),support vector machine(SVM),and K-nearest neighbours(KNN).The analysis results revealed that the use of durian rind spectra only obtained between 83.15%and 88.04%accuracy for the LWNIR spectrometer,while the SWNIR spectrometer provided 64.73 to 93.77%accuracy.The performance of model increases when developing with combination between rind and stem spectra.The LDA model developed using a combination of rind and stem spectra provided the greatest efficiency,exhibiting 97.28%and 100%accuracy for LWNIR and SWNIR spectrometers,respectively.The LDAmodelis therefore recommended for obtaining spectra from smoothingmoving average(MA)+baseline of rind position and when used in combination with the MA+standard normal variance(SNV)of stem spectra.The NIR spectroscopy indicated high potential for non-destructive estimation of the durian maturity stage.This process could be used for quality control in the durian export industry to solve the problem of unripe durian being mixed with ripe fruit.

关键词： Classification Durian fruit Maturity stage near-infrared spectroscopy Non-destructive method

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Gaussian process regression for prediction and confidence analysis of fruit traits by near-infrared spectroscopy

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Food Quality and Safety 2023年第1期7卷 132-137页

作者： Xiaojing Chen Jianxia Xue Xiao Chen Xinyu Zhao Shujat Ali Guangzao Huang College of Electrical and Electronic Engineering Wenzhou UniversityWenzhouChina Wenzhou Institute of Industry&Science WenzhouChina

Detection of fruit traits by using near-infrared(NIR)spectroscopy may encounter out-of-distribution samples that exceed the generalization ability of a constructed calibration model.Therefore,confidence analysis for a given prediction is required,but this cannot be done using common calibration models of NIR spectroscopy.To address this issue,this paper studied the Gaussian process regression(GPR)for fruit traits detection using NIR spectroscopy.The mean and variance of the GPR were used as the predicted value and confidence,respectively.To show this,a real NIR data set related to dry matter content measurements in mango was used.Compared to partial least squares regression(PLSR),GPR showed approximately 14%lower root mean squared error(RMSE)for the in-distribution test set.Compared with no confidence analysis,using the variance of GPR to remove abnormal samples made GPR and PLSR showed approximately 58%and 10%lower RMSE on the mixed distribution test set,respectively(when the type 1 error rate was set to 0.1).Compared with traditional one-class classification methods,the variance of the GPR can be used to effectively eliminate poorly predicted samples.

关键词： near-infrared spectroscopy fruit traits calibration model confidence analysis Gaussian process regression

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Correlation between Glasgow Coma Scale with central venous pressure and near-infrared spectroscopy in patients with acquired brain injury in the intensive care unit of Adam Malik Hospital Medan

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Emergency and Critical Care Medicine 2023年第1期3卷 12-17页

作者： Galdy Wafie Akhyar H.Nasution Bastian Lubis Department of Anesthesiology and Intensive Therapy Faculty of Medicine Universitas Sumatera Utara Adam Malik Hospital Medan Medan Indonesia

Background:Acquired brain injury(ABI)is caused by trauma or nontrauma to the brain after birth.Increased intracranial pressure in patients with traumatic or nontraumatic brain injury affects the cerebral perfusion pressure.After traumatic brain injury,there is an increase in air content in the brain and an increase in volume of blood flow to the brain,which can cause increased intracranial pressure,herniation of brain tissue,impaired cerebral perfusion,and brain damage.Most patients with traumatic brain injury die from uncontrolled increases in intracranial pressure.near-infrared spectroscopy(NIRS)and central venous pressure(CVP)monitoring are also associated with cerebral perfusion.This study aimed to determine the relationship between the Glasgow Coma Scale(GCS)scores and CVP and NIRS values in patients with ABI.Methods:This prospective analytical study used a cross-sectional design to compareGCS scores with CVP and NIRS values in patients with traumatic and nontraumatic brain injury in the intensive care unit(ICU)of Haji Adam Malik Hospital Medan.GCS,CVP,and NIRS descriptive data in patients with brain injury were presented in terms of mean and standard deviation if the data were normally distributed,or median(interquartile range)values if the data were not normally distributed.The relationship between GCS scores and CVP and NIRS values was assessed using the Pearson correlation test if the data were normally distributed,or the Spearman test if the data were not normally distributed.Results:In this study,the mean GCS score and CVP values were 7.04±2.69 and 5.63±25.82 mmHg,respectively.The right tissue oxygen saturation(StO2)was 55.61%±18.72%,and the left StO2 was 57.57%±17.48%with normally distributed data.There was no correlation between GCS scores and CVP values(P=0.829),and no correlation between moderate GCS scores and right and left StO2(P=0.343;P=0.121);however,there was a significantly strong positive correlation between severe GCS scores and right and left StO2(P=0.028,r=0.656;P=0.005,r=0.777).Conclusi

关键词： Acquired brain injury Central venous pressure Glasgow Coma Scale near-infrared spectroscopy

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Current evidence on the use of near-infrared spectroscopy for postoperative free flap monitoring: A systematic review

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Chinese Journal Of Plastic and Reconstructive Surgery 2022年第4期4卷 194-202页

作者： Hao Zhe Bian Chong Han Pek Jolie Hwee Lee Kong Chian School of Medicine Nanyang Technological UniversitySingapore 308232 Department of Plastic Reconstructive and Aesthetic SurgeryKhoo Teck Puat HospitalSingapore 768828

Background: Although the surgical outcomes of free flap reconstruction have improved over time, vascular compromise remains a devastating complication. near-infrared spectroscopy(NIRS) is a promising new free flap monitoring technique with the potential for better outcomes than clinical monitoring(CM). This systematic review aims to provide a comprehensive review of the current evidence regarding the use of NIRS for free flap monitoring.Methods: A systematic literature review was performed, according to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses guidelines, on existing NRIS studies, including the clinical outcomes of NIRS monitoring, speed of detection, diagnostic accuracy, variables affecting NIRS accuracy, and cost-effectiveness.Results: A total of 24 articles were included in this analysis. In most instances of flap compromise, NIRS enabled earlier detection of compromise than did CM, by an average of 8.1(0.5±32.0) h. The flap salvage rate of flaps monitored with CM and NIRS(87.2%) was significantly higher than that of flaps monitored with CM alone(50.0%)(P<0.01). The overall survival rate for flaps monitored with CM and NIRS(98.1%) was also significantly higher than that for flaps monitored with CM alone(96.3%)(P=0.02). Blood oxygen saturation was the only variable with a significant effect on NIRS results.Conclusion: NIRS is an objective and reliable flap monitoring technique that provides superior flap salvage and survival rates compared with CM, which translates to cost savings and a reduction in workload for healthcare staff. Further large-scale studies are needed to standardize flap compromise criterion values and efficacy for different flap types.

关键词： Free flap Flap monitoring near-infrared spectroscopy Systematic review

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Assessment of cerebral oxygenation response to hemodialysis using near-infrared spectroscopy (NIRS):Challenges and solutions

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Journal of Innovative Optical Health Sciences 2021年第6期4卷 55-70页

作者： Ardy Wong Lucy Robinson Seena Soroush Aditi Suresh Dia Yang Kelechi Madu Meera N.Harhay Kambiz Pourrezaei Drexel University School of Bioengineering Philadelphia Pennsylvania Department of Epidemiology&Biostatistics Drexel University Dornsife School of Public Health Philadelphia Pennsylvania Drexel University College of Arts and Sciences Philadelphia Pennsylvania Department of Medicine Drexel University College of Medicine Philadelphia Pennsylvania Tower Health Transplant Institute Tower Health System West Reading Pennsylvania

To date,the clinical use of functional near-infrared spectroscopy(NIRS)to detect cerebral ischemia has been largely limited to surgical settings,where motion artifacts are minimal.In this study,we present novel techniques to address the challenges of using NIRS to monitor ambu-latory patients with kidney disease during approximately eight hours of hemodialysis(HD)treatment.People with end-stage kidney disease who require HD are at higher risk for cognitive impairment and dementia than age-matched controls.Recent studies have suggested that HD-related declines in cerebral blood flow might explain some of the adverse outcomes of HD treatment.However,there are currently no established paradigms for monitoring cerebral per-fusion in real-time during HD treatment.In this study,we used NIRS to assess cerebral hemo-dynamic responses among 95 prevalent HD patients during two consecutive HD treatments.We observed substantial signal attenuation in our predominantly Black patient cohort that required probe modifications.We also observed consistent motion artifacts that we addressed by devel-oping a novel NIRS methodology,called the HD cerebral oxygen demand algorithm(HD-CODA),to identify episodes when cerebral oxygen demand might be outpacing supply during HD treatment.We then examined the association between a summary measure of time spent in cerebral deoxygenation,derived using the HD-CODA,and hemodynamic and treatment-related variables.We found that this summary measure was associated with intradialytic mean arterial pressure,heart rate,and volume removal.Future studies should use the HD-CODA to implement studies of real-time NIRS monitoring for incident dialysis patients,over longer time frames,and in other dialysis modalities.

关键词： Motion artifact removal cerebral oxygenation end-stage kidney disease near-infrared spectroscopy

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