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Equidistant combination wavelength screening and step-by-step phase-out method for the near-infrared spectroscopic analysis of serum urea nitrogen 被引量:2
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作者 Yihui Yang Fenfen Lei +3 位作者 Jing Zhang Lijun Yao Jiemei Chen Tao Pan 《Journal of Innovative Optical Health Sciences》 SCIE EI CAS 2019年第6期85-96,共12页
We applied near-infrared(NIR)spectroscopy with chemometrics for the rapid and reagent-fee analysis of serum urea nitrogen(SUN).The modeling is based on the average effect of multiple sample partitions to achieve param... We applied near-infrared(NIR)spectroscopy with chemometrics for the rapid and reagent-fee analysis of serum urea nitrogen(SUN).The modeling is based on the average effect of multiple sample partitions to achieve parameter selection with stability.A multiparameter optimization platform with Norris derivative filter-partial least squares(Norris-PLS)was developed to select the most suitable mode(d=2,s=33,g=15).Using equidistant combination PLS(EC-PLS)with four parameters(initial wavelength I,number of wavelengths N,number of wavelength gaps G and latent variables LV),we performed wavelength screening after eliminating high-absorption wavebands.The optimal EC-PLS parameters were I=1228 nm,N=26,G=16 and LV=12.The root-mean square error(SEP),correlation coefficient(R_(p))for prediction and ratio of performance-to-deviation(RPD)for validation were 1.03 mmol L^(-1),0.992 and 7.6,respectively.We proposed the wavelength step-by-step phase-out PLS(WSP-PLS)to remove redun-dant wavelengths in the top 100 EC-PLS models with improved prediction performance.The combination of 19 wavelengths was identifed as the optimal model for SUN.The SEP,Rp and RPD in validation were 1.01 mmol L^(-1),0.992 and 7.7,respectively.The prediction effect and wavelength complexity were better than those of EC-PIS.Our results showed that NIR spectroscopy combined with the EC-PLS and WSP-PLS methods enabled the high-precision analysis ofSUN.WSP-PLS is a secondary optimization method that can further optimize any wavelength moc odel obtained through other continuous or discrete strategies to establish a simple and better model. 展开更多
关键词 Serum urea nitrogen near infrared spectroscopic analysis Norris derivative filter equidistant combination wavelength screening wavelength step-by-step phase-out
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Wavelength Selection for Near-Infrared Spectroscopic Analysis of Teicoplanin 被引量:1
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作者 Jing Zhang Tian Ai +1 位作者 Jiemei Chen Tao Pan 《American Journal of Analytical Chemistry》 2016年第5期460-468,共9页
Teicoplanin (TCP) is a multiple drug-resistant lipoglycopeptide antibiotic produced by fermenting Actinoplanes teichomyceticus. In this study, a mixture of TCP with the Tris-HCl buffer (TCP-Tris- HCl) was used to simu... Teicoplanin (TCP) is a multiple drug-resistant lipoglycopeptide antibiotic produced by fermenting Actinoplanes teichomyceticus. In this study, a mixture of TCP with the Tris-HCl buffer (TCP-Tris- HCl) was used to simulate TCP fermentation broth. The reagent-free, rapid and simultaneous quantitative analysis models for TCP and Tris in the TCP-Tris-HCl mixtures were established by near-infrared (NIR) spectroscopy. The equidistant combination partial least squares (EC-PLS) method and the equivalent model sets were proposed, the simplest equivalent model with the smallest number of wavelengths were further selected. The initial wavelength, number of wavelengths, number of wavelength gaps, number of PLS factors were 1520 nm, 28, 5, 5 for TCP and 1084 nm, 13, 6, 4 for Tris, respectively. Compared with the optimal EC-PLS models, the simplest equivalent models adopted fewer wavelengths. Thus, the redundant wavelengths were removed, the models were further simplified. The root-mean-square errors (SEP) and correlation coefficients (R<sub>P</sub>) for prediction were 0.043 mg·mL<sup>-1</sup> and 0.9998 for TCP, and 0.222 mg·mL<sup>-1</sup> and 0.9989 for Tris, respectively. The results indicate that NIR method can be applied to highly accurate quantitative analysis for TCP and provide valuable references for further application to TCP fermentation broth. 展开更多
关键词 TEICOPLANIN near-infrared spectroscopy Equidistant Combination Partial Least Squares Equivalence Model Set The Simplest Equivalent Model
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Visible and Near-Infrared Spectroscopic Discriminant Analysis Applied to Identification of Soy Sauce Adulteration 被引量:1
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作者 Chunli Fu Jiemei Chen +1 位作者 Lifang Fang Tao Pan 《American Journal of Analytical Chemistry》 2022年第2期51-62,共12页
The identification of soy sauce adulteration can avoid fraud, and protect the rights and interests of producers and consumers. Based on two measurement models (1 mm, 10 mm), the visible and near-infrared (Vis-NIR) spe... The identification of soy sauce adulteration can avoid fraud, and protect the rights and interests of producers and consumers. Based on two measurement models (1 mm, 10 mm), the visible and near-infrared (Vis-NIR) spectroscopy combined with standard normal variate-partial least squares-discriminant analysis (SNV-PLS-DA) was used to establish the discriminant analysis models for adulterated and brewed soy sauces. Chubang soy sauce was selected as an identification brand (negative, 70). The adulteration samples (positive, 72) were prepared by mixing Chubang soy sauce and blended soy sauce with different adulteration rates. Among them, the “blended soy sauce” sample was concocted of salt water (NaCl), monosodium glutamate (C<sub>5</sub>H<sub>10</sub>NNaO<sub>5</sub>) and caramel color (C<sub>6</sub>H<sub>8</sub>O<sub>3</sub>). The rigorous calibration-prediction-validation sample design was adopted. For the case of 1 mm, five waveband models (visible, short-NIR, long-NIR, whole NIR and whole scanning regions) were established respectively;in the case of 10 mm, three waveband models (visible, short-NIR and visible-short-NIR regions) for unsaturated absorption were also established respectively. In independent validation, the models of all wavebands in the cases of 1 mm and 10 mm have achieved good discrimination effects. For the case of 1 mm, the visible model achieved the optimal validation effect, the validation recognition-accuracy rate (RAR<sub>V</sub>) was 99.6%;while in the case of 10 mm, both the visible and visible-short-NIR models achieved the optimal validation effect (RAR<sub>V</sub> = 100%). The detection method does not require reagents and is fast and simple, which is easy to promote the application. The results can provide valuable reference for designing small dedicated spectrometers with different measurement modals and different spectral regions. 展开更多
关键词 Visible and near-infrared spectroscopy Soy Sauce Adulteration Identification Partial Least Squares-Discriminant Analysis Standard Normal Variate
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Association of low non-invasive near-infrared spectroscopic measurements during initial trauma resuscitation with future development of multiple organ dysfunction
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作者 Bret A.Nicks Kevin M.Campons William P.Bozeman 《World Journal of Emergency Medicine》 CAS 2015年第2期105-110,共6页
BACKGROUND: Near-infrared spectroscopy(NIRS) non-invasively monitors muscle tissue oxygen saturation(St O2). It may provide a continuous noninvasive measurement to identify occult hypoperfusion, guide resuscitation, a... BACKGROUND: Near-infrared spectroscopy(NIRS) non-invasively monitors muscle tissue oxygen saturation(St O2). It may provide a continuous noninvasive measurement to identify occult hypoperfusion, guide resuscitation, and predict the development of multiple organ dysfunction(MOD) after severe trauma. We evaluated the correlation between initial St O2 and the development of MOD in multi-trauma patients.METHODS: Patients presenting to our urban, academic, Level I Trauma Center/Emergency Department and meeting standardized trauma-team activation criteria were enrolled in this prospective trial. NIRS monitoring was initiated immediately on arrival with collection of St O2 at the thenar eminence and continued up to 24 hours for those admitted to the Trauma Intensive Care Unit(TICU). Standardized resuscitation laboratory measures and clinical evaluation tools were collected. The primary outcome was the association between initial St O2 and the development of MOD within the f irst 24 hours based on a MOD score of 6 or greater. Descriptive statistical analyses were performed; numeric means, multivariate regression and rank sum comparisons were utilized. Clinicians were blinded from the StO 2 values.RESULTS: Over a 14 month period, 78 patients were enrolled. Mean age was 40.9 years(SD 18.2), 84.4% were male, 76.9% had a blunt trauma mechanism and mean injury severity score(ISS) was 18.5(SD 12.9). Of the 78 patients, 26(33.3%) developed MOD within the first 24 hours. The MOD patients had mean initial St O2 values of 53.3(SD 10.3), signifi cantly lower than those of nonMOD patients 61.1(SD 10.0); P=0.002. The mean ISS among MOD patients was 29.9(SD 11.5), significantly higher than that of non-MODS patients, 12.1(SD 9.1)(P<0.0001). The mean shock index(SI) among MOD patients was 0.92(SD 0.28), also signifi cantly higher than that of non-MODS patients, 0.73(SD 0.19)(P=0.0007). Lactate values were not signifi cantly different between groups.CONCLUSION: Non-invasive, continuous St O2 near-infrared spectroscopy values during initial trauma resuscitation correlate with the later development of multiple organ dysfunction in this patient population. 展开更多
关键词 near-infrared spectroscopy Multiple organ dysfunction Injury severity score Shock index LACTATE
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Functional near-infrared spectroscopy in non-invasive neuromodulation 被引量:1
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作者 Congcong Huo Gongcheng Xu +6 位作者 Hui Xie Tiandi Chen Guangjian Shao Jue Wang Wenhao Li Daifa Wang Zengyong Li 《Neural Regeneration Research》 SCIE CAS CSCD 2024年第7期1517-1522,共6页
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
关键词 brain-computer interface cerebral neural networks functional near-infrared spectroscopy neural circuit NEUROFEEDBACK neurological diseases NEUROMODULATION non-invasive brain stimulation transcranial electrical stimulation transcranial electrical stimulation
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Spatial sensitivity to absorption changes for various near-infrared spectroscopy methods:A compendium review
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作者 Giles Blaney Angelo Sassaroli Sergio Fantini 《Journal of Innovative Optical Health Sciences》 SCIE EI CSCD 2024年第4期1-115,共115页
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 tempo... 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. 展开更多
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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Cortical activity in patients with high-functioning ischemic stroke during the Purdue Pegboard Test:insights into bimanual coordinated fine motor skills with functional near-infrared spectroscopy
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作者 Siyun Chen Mengchai Mao +4 位作者 Guangyue Zhu Yufeng Chen Yuqi Qiu Bin Ye Dongsheng Xu 《Neural Regeneration Research》 SCIE CAS CSCD 2024年第5期1098-1104,共7页
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
关键词 bilateral arm training bimanual coordination cortical activity fine motor dexterity functional near-infrared spectroscopy(fNIRS) high-functioning Purdue Pegboard Test stroke
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A highly sensitive ratiometric near-infrared nanosensor based on erbium-hyperdoped silicon quantum dots for iron(Ⅲ) detection
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作者 Kun Wang Wenxuan Lai +2 位作者 Zhenyi Ni Deren Yang Xiaodong Pi 《Journal of Semiconductors》 EI CAS CSCD 2024年第8期49-58,共10页
Ratiometric fluorescent detection of iron(Ⅲ)(Fe^(3+))offers inherent self-calibration and contactless analytic capabilities.However,realizing a dual-emission near-infrared(NIR)nanosensor with a low limit of detection... Ratiometric fluorescent detection of iron(Ⅲ)(Fe^(3+))offers inherent self-calibration and contactless analytic capabilities.However,realizing a dual-emission near-infrared(NIR)nanosensor with a low limit of detection(LOD)is rather challenging.In this work,we report the synthesis of water-dispersible erbium-hyperdoped silicon quantum dots(Si QDs:Er),which emit NIR light at the wavelengths of 810 and 1540 nm.A dual-emission NIR nanosensor based on water-dispersible Si QDs:Er enables ratiometric Fe^(3+)detection with a very low LOD(0.06μM).The effects of pH,recyclability,and the interplay between static and dynamic quenching mechanisms for Fe^(3+)detection have been systematically studied.In addition,we demonstrate that the nanosensor may be used to construct a sequential logic circuit with memory functions. 展开更多
关键词 erbium-hyperdoped silicon quantum dots dual-emission near-infrared nanosensor Fe^(3+)detection sequential logic circuit
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Near-infrared spectroscopy method for rapid proximate quantitative analysis of nutrient composition in Pacific oyster Crassostrea gigas 被引量:1
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作者 Zhe LI Haigang QI +4 位作者 Ying YU Cong LIU Rihao CONG Li LI Guofan ZHANG 《Journal of Oceanology and Limnology》 SCIE CAS CSCD 2023年第1期342-351,共10页
Glycogen,amino acids,fatty acids,and other nutrient components affect the flavor and nutritional quality of oysters.Methods based on near-infrared reflectance spectroscopy(NIRS)were developed to rapidly and proximatel... Glycogen,amino acids,fatty acids,and other nutrient components affect the flavor and nutritional quality of oysters.Methods based on near-infrared reflectance spectroscopy(NIRS)were developed to rapidly and proximately determine the nutrient content of the Pacific oyster Crassostreagigas.Samples of C.gigas from 19 costal sites were freeze-dried,ground,and scanned for spectral data collection using a Fourier transform NIR spectrometer(Thermo Fisher Scientific).NIRS models of glycogen and other nutrients were established using partial least squares,multiplication scattering correction first-order derivation,and Norris smoothing.The R_(C) values of the glycogen,fatty acids,amino acids,and taurine NIRS models were 0.9678,0.9312,0.9132,and 0.8928,respectively,and the residual prediction deviation(RPD)values of these components were 3.15,2.16,3.11,and 1.59,respectively,indicating a high correlation between the predicted and observed values,and that the models can be used in practice.The models were used to evaluate the nutrient compositions of 1278 oyster samples.Glycogen content was found to be positively correlated with fatty acids and negatively correlated with amino acids.The glycogen,amino acid,and taurine levels of C.gigas cultured in the subtidal and intertidal zones were also significantly different.This study suggests that C.gigas NIRS models can be a cost-effective alternative to traditional methods for the rapid and proximate analysis of various slaughter traits and may also contribute to future genetic and breeding-related studies in Pacific oysters. 展开更多
关键词 Pacific oyster Crassostrea gigas near-infrared reflectance spectroscopy(NIRS) nutrient composition rapid determination
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Synchronous measurements of prefrontal activity and pulse rate variability during online video game playing with functional near-infrared spectroscopy 被引量:1
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作者 Xuzhe Zhang Kehong Long +2 位作者 Ningxin Wang Jin Zhang Hao Lei 《Journal of Innovative Optical Health Sciences》 SCIE EI CSCD 2023年第6期53-67,共15页
Interactions between the central nervous system(CNS)and autonomic nervous system(ANS)play a crucial role in modulating perception,cognition,and emotion production.Previous studies on CNS–ANS interactions,or heart–br... Interactions between the central nervous system(CNS)and autonomic nervous system(ANS)play a crucial role in modulating perception,cognition,and emotion production.Previous studies on CNS–ANS interactions,or heart–brain coupling,have often used heart rate variability(HRV)metrics derived from electrocardiography(ECG)recordings as empirical measurements of sympathetic and parasympathetic activities.Functional near-infrared spectroscopy(fNIRS)is a functional brain imaging modality that is increasingly used in brain and cognition studies.The fNIRS signals contain frequency bands representing both neural activity oscillations and heartbeat rhythms.Therefore,fNIRS data acquired in neuroimaging studies can potentially provide a single-modality approach to measure task-induced responses in the brain and ANS synchronously,allowing analysis of CNS–ANS interactions.In this proof-of-concept study,fNIRS was used to record hemodynamic changes from the foreheads of 20 university students as they each played a round of multiplayer online battle arena(MOBA)game.From the fNIRS recordings,neural and heartbeat frequency bands were extracted to assess prefrontal activities and shortterm pulse rate variability(PRV),an approximation for short-term HRV,respectively.Under the experimental conditions used,fNIRS-derived PRV metrics showed good correlations with ECG-derived HRV golden standards,in terms of absolute measurements and video game playing(VGP)-related changes.It was also observed that,similar to previous studies on physical activity and exercise,the PRV metrics closely related to parasympathetic activities recovered slower than the PRV indicators of sympathetic activities after VGP.It is concluded that it is feasible to use fNIRS to monitor concurrent brain and ANS activations during online VGP,facilitating the understanding of VGP-related heart–brain coupling. 展开更多
关键词 Heart rate variability pulse rate variability functional near-infrared spectroscopy video game prefrontal cortex heart–brain coupling
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Near-infrared cholangiography with intragallbladder indocyanine green injection in minimally invasive cholecystectomy
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作者 Savvas Symeonidis Ioannis Mantzoros +9 位作者 Elissavet Anestiadou Orestis Ioannidis Panagiotis Christidis Stefanos Bitsianis Vasiliki Bisbinas Konstantinos Zapsalis Trigona Karastergiou Dimitra Athanasiou Stylianos Apostolidis Stamatios Angelopoulos 《World Journal of Gastrointestinal Surgery》 SCIE 2024年第4期1017-1029,共13页
Laparoscopic cholecystectomy(LC)remains one of the most commonly performed procedures in adult and paediatric populations.Despite the advances made in intraoperative biliary anatomy recognition,iatrogenic bile duct in... Laparoscopic cholecystectomy(LC)remains one of the most commonly performed procedures in adult and paediatric populations.Despite the advances made in intraoperative biliary anatomy recognition,iatrogenic bile duct injuries during LC represent a fatal complication and consist an economic burden for healthcare systems.A series of methods have been proposed to prevent bile duct injury,among them the use of indocyanine green(ICG)fluorescence.The most commonly reported method of ICG injection is the intravenous administration,while literature is lacking studies investigating the direct intragallbladder ICG injection.This narrative mini-review aims to assess the potential applications,usefulness,and limitations of intragallbladder ICG fluorescence in LC.Authors screened the available international literature to identify the reports of intragallbladder ICG fluorescence imaging in minimally invasive cholecystectomy,as well as special issues regarding its use.Literature search retrieved four prospective cohort studies,three case-control studies,and one case report.In the three case-control studies selected,intragallbladder near-infrared cholangiography(NIRC)was compared with standard LC under white light,with intravenous administration of ICG for NIRC and with standard intraoperative cholangiography(IOC).In total,133 patients reported in the literature have been administered intragallbladder ICG administration for biliary mapping during LC.Literature includes several reports of intragallbladder ICG administration,but a standardized technique has not been established yet.Published data suggest that NIRC with intragallbladder ICG injection is a promising method to achieve biliary mapping,overwhelming limitations of IOC including intervention and radiation exposure,as well as the high hepatic parenchyma signal and time interval needed in intravenous ICG fluorescence.Evidence-based guidelines on the role of intragallbladder ICG fluorescence in LC require the assessment of further studies and multicenter data collection into large registries. 展开更多
关键词 Minimally invasive cholecystectomy Laparoscopic cholecystectomy Biliary tract mapping Indocyanine green near-infrared fluorescent cholangiography Intracystic indocyanine green Intragallbladder indocyanine green Bile duct injury
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Outlier detection in near-infrared spectroscopic analysis by using Monte Carlo cross-validation 被引量:13
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作者 LIU ZhiChao CAI WenSheng SHAO XueGuang 《Science China Chemistry》 SCIE EI CAS 2008年第8期751-759,共9页
An outlier detection method is proposed for near-infrared spectral analysis. The underlying philosophy of the method is that,in random test(Monte Carlo) cross-validation,the probability of outliers presenting in good ... An outlier detection method is proposed for near-infrared spectral analysis. The underlying philosophy of the method is that,in random test(Monte Carlo) cross-validation,the probability of outliers presenting in good models with smaller prediction residual error sum of squares(PRESS) or in bad models with larger PRESS should be obviously different from normal samples. The method builds a large number of PLS models by using random test cross-validation at first,then the models are sorted by the PRESS,and at last the outliers are recognized according to the accumulative probability of each sample in the sorted models. For validation of the proposed method,four data sets,including three published data sets and a large data set of tobacco lamina,were investigated. The proposed method was proved to be highly efficient and veracious compared with the conventional leave-one-out(LOO) cross validation method. 展开更多
关键词 near-infrared spectrum partial least squares(PLS) MONTE Carlo cross validation OUTLIER detection
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Quantitative Near-infrared Spectroscopic Analysis of Trimethoprim by Artificial Neural Networks Combined with Modified Genetic Algorithm 被引量:1
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作者 SHAN Hongyan FEI Yanqun +2 位作者 HUAN Yanfu FENG Guodong FEI Qiang 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2014年第4期582-586,共5页
A novel method for rapid,accurate and nondestructive determination of trimethoprim in complex matrix was presented.Near-infrared spectroscopy coupled with multivariate calibration(partial least-squares and artificial... A novel method for rapid,accurate and nondestructive determination of trimethoprim in complex matrix was presented.Near-infrared spectroscopy coupled with multivariate calibration(partial least-squares and artificial neural networks) was applied in the experiment.The variable selection process based on a modified genetic algorithm with fixed number of selected variables was proceeded,which can reduce the training time and enhance the predictive ability when coupled with artificial neural network model. 展开更多
关键词 Artificial neural network Genetic algorithm near-infrared spectroscopy TRIMETHOPRIM
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Near-Infrared Spectroscopy Combined with Absorbance Upper Optimization Partial Least Squares Applied to Rapid Analysis of Polysaccharide for Proprietary Chinese Medicine Oral Solution 被引量:2
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作者 Jiexiong Su Xinkai Gao +5 位作者 Lirong Tan Xianzhao Liu Yueqing Ye Yifang Chen Kaisheng Ma Tao Pan 《American Journal of Analytical Chemistry》 2016年第3期275-281,共7页
Near-infrared (NIR) spectroscopy was applied to reagent-free quantitative analysis of polysaccharide of a brand product of proprietary Chinese medicine (PCM) oral solution samples. A novel method, called absorbance up... Near-infrared (NIR) spectroscopy was applied to reagent-free quantitative analysis of polysaccharide of a brand product of proprietary Chinese medicine (PCM) oral solution samples. A novel method, called absorbance upper optimization partial least squares (AUO-PLS), was proposed and successfully applied to the wavelength selection. Based on varied partitioning of the calibration and prediction sample sets, the parameter optimization was performed to achieve stability. On the basis of the AUO-PLS method, the selected upper bound of appropriate absorbance was 1.53 and the corresponding wavebands combination was 400 - 1880 & 2088 - 2346 nm. With the use of random validation samples excluded from the modeling process, the root-mean-square error and correlation coefficient of prediction for polysaccharide were 27.09 mg·L<sup>-</sup><sup>1</sup> and 0.888, respectively. The results indicate that the NIR prediction values are close to those of the measured values. NIR spectroscopy combined with AUO-PLS method provided a promising tool for quantification of the polysaccharide for PCM oral solution and this technique is rapid and simple when compared with conventional methods. 展开更多
关键词 near-infrared spectroscopic Analysis Proprietary Chinese Medicine Oral Solution POLYSACCHARIDE Absorbance Upper Optimization Partial Least Squares
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AO-MW-PLS method applied to rapid quantification of teicoplanin with near-infrared spectroscopy
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作者 Jiemei Chen Tian Ai +2 位作者 Tao Pan Lijun Yao Fenggeng Xia 《Journal of Innovative Optical Health Sciences》 SCIE EI CAS 2017年第1期21-33,共13页
Teicoplanin(TCP)is an important lipoglycopeptide antibiotic produced by fermenting Acti-noplanes teichomyceticus.The change in TCP concentration is important to measure in the fermentation process.In this study,a reag... Teicoplanin(TCP)is an important lipoglycopeptide antibiotic produced by fermenting Acti-noplanes teichomyceticus.The change in TCP concentration is important to measure in the fermentation process.In this study,a reagent-free and rapid quantification method for TCP in the TCP-Tris-HCl mixture samples was developed using near infrared(NIR)spectroscopy by focusing our attention on the fermentation process for TCP.The absorbance optimization(AO)partial least squares(PLS)was proposed and integrated with the moving window(MW)PLS,which is called AO-MW-PLS method,to select appropriate wavebands.Amodel set that includes various wavebands that were equivalent to the optimal AO-MW-PLS waveband was,proposed based on statistical considerations.The public region of all equivalent wavebands was just one of the equivalent wavebands.The obtained public regions were 1540-1868 nm for TCP and 1114-1310 nm for Tris.The root-mean-square error and correlation coeficient for leave-one-out cross validation were 0.046 mg mL^(-1)and 0.9998 mg mL^(-1)for TCP,and 0.235 mg mL^(-1)and 0.9986 mg mL^(-1)for Tris,respectively.All the models achieved highly accurate prediction effects,and the selected wavebands provided valuable references for designing specialized spectrometers.This study provided a valuable reference for further application of the proposed methods to TCP fermentation broth and to other spectroscopic analysis fields. 展开更多
关键词 TEICOPLANIN near-infrared spectroscopic analysis absorbance optimization partial least squares moving window partial least squares equivalent model set
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Classification of Guizhou Aspidistra Plants by Near-infrared Diffuse Reflectance Spectroscopy 被引量:1
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作者 高永跃 何顺志 徐文芬 《Agricultural Science & Technology》 CAS 2017年第4期575-578,590,共5页
[Objective] This study was conducted to establish a near-infrared diffuse reflectance spectroscopy of Guizhou Aspidistra plants. [Method] Twenty three batch- es of Guizhou Aspidistra plants including A. chishuiensis, ... [Objective] This study was conducted to establish a near-infrared diffuse reflectance spectroscopy of Guizhou Aspidistra plants. [Method] Twenty three batch- es of Guizhou Aspidistra plants including A. chishuiensis, A. spinula, A. Caespitosa, A. sichuanensis, A. ebianensis, A. retusa, A. guizhouensis and A. liboensis were subjected to drying, pulverization and sieving and then directly determined for near- infrared reflectance spectrums; and the plants in this genus were classified by clus- ter analysis and principal component analysis (PCA). [Result] The near-infrared re- flectance spectrums of the 23 batches of Guizhou Aspidistra plants showed very high similarity. The spectrums were processed by first derivative method, and the spectral range of 4 000-7 500 cm-1 was selected as the analytical range. Cluster analysis and PCA were employed to mass spectrum variables of plants in Aspidis- tra, fewer new variables became the linear combination of primary variables, and small differences between different varieties were enlarged, thereby facilitating intu- itive classification of plants in this genus. [Conclusion] Near-infrared diffuse re- flectance spectroscopy is nondestructive and rapid for determination of solid sam- pies, and provides a new method for the classification of Guizhou Aspidistra plants combined by information processing techniques. 展开更多
关键词 Guizhou Aspidistra plants near-infrared diffuse reflectance spectroscopy CLASSIFICATION
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Application of near-infrared spectroscopy to predict sweetpotato starch thermal properties and noodle quality 被引量:10
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作者 LU Guo-quan HUANG Hua-hong ZHANG Da-peng 《Journal of Zhejiang University-Science B(Biomedicine & Biotechnology)》 SCIE CAS CSCD 2006年第6期475-481,共7页
Sweetpotato starch thermal properties and its noodle quality were analyzed using a rapid predictive method based on near-infrared spectroscopy (NIRS). This method was established based on a total of 93 sweetpotato g... Sweetpotato starch thermal properties and its noodle quality were analyzed using a rapid predictive method based on near-infrared spectroscopy (NIRS). This method was established based on a total of 93 sweetpotato genotypes with diverse genetic background. Starch samples were scanned by NIRS and analyzed for quality properties by reference methods. Results of statistical modelling indicated that NIRS was reasonably accurate in predicting gelatinization onset temperature (To) (standard error of prediction SEP=2.014 ℃, coefficient of determination RSQ=0.85), gelatinization peak temperature (Tp) (SEP=-1.371 ℃, RSQ=0.89), gelatinization temperature range (Tr) (SEP=2.234 ℃, RSQ=0.86), and cooling resistance (CR) (SEP=0.528, RSQ=0.89). Gelatinization completion temperature (To), enthalpy of gelatinization (△H), cooling loss (CL) and swelling degree (SWD), were modelled less well with RSQ between 0.63 and 0.84. The present results suggested that the NIRS based method was sufficiently accurate and practical for routine analysis of sweetpotato starch and its noodle quality. 展开更多
关键词 SWEETPOTATO Starch thermal property Noodle quality near-infrared spectroscopy (NIRS)
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Mechanical properties of wood materials using near-infrared spectroscopy based on correlation local embedding and partial least-squares 被引量:4
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作者 Lei Yu Yuliang Liang +1 位作者 Yizhuo Zhang Jun Cao 《Journal of Forestry Research》 SCIE CAS CSCD 2020年第3期1053-1060,共8页
This study used near-infrared(NIR)spectroscopy to predict mechanical properties of wood.NIR spectra were collected in wavelengths 900–1700 nm,and spectra averaged by radial and tangential surface spectra were used to... This study used near-infrared(NIR)spectroscopy to predict mechanical properties of wood.NIR spectra were collected in wavelengths 900–1700 nm,and spectra averaged by radial and tangential surface spectra were used to establish a partial least square(PLS)model based on correlation local embedding(CLE).Mongolian oak(Quercus mongolica Fisch.ex Ledeb.)was used to test the eff ectiveness of the model.The cross-validation method was used to verify the robustness of the CLE–PLS model.Ninety samples were tested as the calibration set and forty-fi ve as the validation set.The results show that the prediction coeffi cient of determination(R2 p)is 0.80 for MOR,and 0.78 for MOE.The ratio of performance to deviation is 2.23 for MOR and 2.15 for MOE. 展开更多
关键词 MODULUS of RUPTURE MODULUS of ELASTICITY near-infrared CORRELATION LOCAL EMBEDDING Partial least square
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Near-infrared spectroscopy as a promising tool in stroke:Current applications and future perspectives 被引量:3
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作者 Jinyan Sun Richong Pang +7 位作者 Sisi Chen Hucheng Chen Yuanrong Xie Dandan Chen Kai Wu Jianbin Liang Kecheng Yan Zhifeng Hao 《Journal of Innovative Optical Health Sciences》 SCIE EI CAS 2021年第6期19-41,共23页
Stroke is caused by an acute focal disruption of the vasculature in the central nervous system.Neurological-related functional deficits are the most devastating consequences for stroke survi-vors.Neural signals from s... Stroke is caused by an acute focal disruption of the vasculature in the central nervous system.Neurological-related functional deficits are the most devastating consequences for stroke survi-vors.Neural signals from stroke patients can reflect the functional statuses of patients and provide insights into the neuronal recovery mechanism for functioning,which could be used as the basis for designing optimal treatment strategies.Near-infrared spectroscopy(NIRS)is a low-cost,noninvasive,easily operated neuroimage method and it is compatible with various rehabilitative programs.These advantages make NIRS an excellent candidate in research for stroke recovery.Here,we focused on the brain functions and recovery for stroke patients at stable status,conducted a systematic literature review about NIRS applications in stroke since 2000 and identified a total of 72 references through ScienceDirect and PubMed database retrieval.The NIRS studies in stroke include resting-state function and its recovery,motor function and itsrecovery,motor and cognition interference,cognitive function and its recovery,language function and its recovery,emotional function and its recovery and other applications.Based on the results of the quality assessment,we identified some study gaps from the previous research and provided suggestions for some methodological improvement in the future.The trend of NIRS gives a boost to its application in stroke,and the potential research directions for NIRS in stroke are pros-pected,including multi-center clinical research,treatment efficacy prediction research and brain-muscle coupling research.Finally,limitations of NIRS are discussed. 展开更多
关键词 near-infrared spectroscopy STROKE function deficits RECOVERY
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Identification of Salmonella and Listeria monocytogenes by Near-infrared Spectroscopy and PCA 被引量:3
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作者 Jiang Chuan Zhang Xiaohong +2 位作者 Zou Xiaolong Lu Guangying Liu Yangchun 《Meteorological and Environmental Research》 CAS 2019年第4期77-80,共4页
Near-infrared spectra of pathogenic bacteria (salmonella and Listeria monocytogenes ) were determined, and the spectral data were analyzed by the projection discriminant analysis based on principal component analysis ... Near-infrared spectra of pathogenic bacteria (salmonella and Listeria monocytogenes ) were determined, and the spectral data were analyzed by the projection discriminant analysis based on principal component analysis (PCA). The expected results were obtained. The results showed that salmonella and L. monocytogenes could be distinguished from each other by the near-infrared spectroscopy of the whole cells, cell walls or cytoplasm. 展开更多
关键词 near-infrared spectroscopY SALMONELLA LISTERIA MONOCYTOGENES PCA IDENTIFICATION
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