基于Azure AutoML的泥沙预报模型构建与应用

泥沙预报是开展水库泥沙实时调度的前提,而水沙作用机理和演进规律的复杂性又导致开展高效、精准的泥沙预报较为困难。基于微软在2018年发布的Azure AutoML自动化机器学习技术,进行了泥沙预报模型构建与应用的探索。选取三峡水库泥沙重要控制站——寸滩、清溪场、万县、黄陵庙站构建了含沙量预报模型,并从模型构建与评估、预报精度、输入因子重要性等角度开展了分析。研究结果表明:Azure AutoML技术可便捷地进行自动化机器学习模型的构建,基于该技术建立的预见期为1~3 d的模型针对沙峰消退阶段和含沙量较小阶段预报效果较好;预见期为1~2 d的模型可以对沙峰开展较为准确的预报;寸滩、清溪场站含沙量主要受到上游来沙的影响,而万县、黄陵庙站的含沙量自相关性较强。

Determination of Total Lignanoids in Tangjiangshenkang Granules by Two-Wavelength Ultraviolet Spectrophotometry

[Objectives] To establish a determination method for the content of total lignanoids in Tangjiangshenkang granules. [Methods] Two-wavelength ultraviolet spectrophotometry (TWBS) was used to scan arctiin control solution, chlorogenic acid control solution and Tangjiangshenkang granule test solution in the range of 200-400 nm. In the ultraviolet scanning diagram of arctiin reference solution, the maximum absorption wavelength of 280 nm was determined as the determination wavelength λ 1, the detection wavelength in the ultraviolet scanning diagram of chlorogenic acid reference solution ( λ 1=280 nm) was determined, and 350 nm was the reference wavelength λ 2;the content of total lignosides in Tangjiangshenkang granules was determined with arctiin as the reference substance. [Results] The precision, accuracy, and durability of this method were fine. The concentration of arctiin was linearly correlated with the absorbance difference in the range of 0.007 95-0.071 55 mg/mL ( r =0. 999 9). The average recovery of arctiin was 100.8%, and the RSD value was 1.04% ( n =6). Calculated as arctiin, three batches of Tangjiangshenkang granules contain no less than 20% of total lignosides. [Conclusions] The method has the advantages of simple operation, good accuracy, precision and reliable stability. It can be used as the content determination and quality control method of total lignosides in Tangjiangshenkang granules.

Rapid accuracy determining DNA purity and concentration in heavy oils by spectrophotometry methods

DNA analysis is the core of biotechnology applied in petroleum resources and engineering. Traditionally accurate determination of DNA purity and concentration by spectrometer is the first and critical step for downstream molecular biology research. In this study, three different spectrophotometry methods, BPM, NDTT and NPMTTZ were compared for their performance in determining DNA concentration and purity in 32 oil samples, and molecule methods like quantitative real-time PCR (qPCR) and high-throughput sequence were also performed to help assess the accuracy of the three methods in determining DNA concentration and purity. For ordinary heavy oil (OHO), extra heavy oil (EHO) and super heavy oil (SHO), the characteristics of high viscosity (η), density (ρ) and resin plus asphaltene content will affect the DNA extraction and UV determination. The DNA concentration was decreased as density increased: OHO (11.46 ± 18.34 ng/μL), EHO (6.68 ± 9.67 ng/μL) and SHO (6.20 ± 7.83 ng/μL), and the DNA purity was on the reverse: OHO (1.31 ± 0.27), EHO (1.54 ± 0.20), and SHO (1.83 ± 0.32). The results suggest that spectrophotometry such as BPM and NPMTTZ are qualitatively favorite methods as the quick non-consumable methods in determining DNA concentration and purity of medium oil and heavy oil.

Studies on the Combined Derivative Spectrophotometry

The combined derivative spectrophotometry developed in this paper is a new method, which can be used to determine multicomporent mixture simultaneously and may improve the sensitivity and accuracy of the measurement remarkably. Two practical tests were carried out to verify the correctness of the theory, and the results are satisfactory.

Rapid measurement of indocyanine green retention by pulse spectrophotometry: a validation study in 70 patients with Child-Pugh A cirrhosis before hepatectomy for hepatocellular carcinoma

BACKGROUND: The indocyanine green (ICG) retention test is the most popular liver function test for selecting patients for major hepatectomy. Traditionally, it is done using spectrophotometry with serial blood sampling. The newly- developed pulse spectrophotometry is a faster alternative, but its accuracy on Child-Pugh A cirrhotic patients undergoing hepatectomy for hepatocellular carcinoma has not been well documented. This study aimed to assess the accuracy of the LiMON , one of the pulse spectrophotometry systems, in measuring preoperative ICG retention in these patients and to devise an easy formula for conversion of the results so that they can be compared with classical literature records where ICG retention was measured by the traditional method. METHODS: We measured the liver function of 70 Child-Pugh A cirrhotic patients before hepatectomy for hepatocellular carcinoma from September 2008 to January 2009. ICG retention at 15 minutes measured by traditional spectrophotometry (ICGR15) was compared with ICG retention at 15 minutes measured by the LiMON (ICGR15(L)). RESULTS: The median ICGR15 was 14.7% (5.6%-32%) and the median ICGR15(L) was 10.4% (1.2%-28%). The mean difference between them was -4.3606. There was a strong correlation between ICGR15 and ICGR15(L) (correlation coefficient, 0.844; 95% confidence interval, 0.762-0.899). The following formula was devised: ICGR15=1.16×ICGR15(L)+2.73.CONCLUSIONS: The LiMON provides a fast and repeatable way to measure ICG retention at 15 minutes, but with constant underestimation of the real value. Therefore, when comparing results obtained by traditional spectrophotometry and the LiMON, adjustment of results from the latter is necessary, and this can be done with a simple mathematical calculation using the above formula.

Determination of Mecruy at Trace Level in Natural Water Samples by Hydride Generation Atomic Absorption Spectrophotometry after Cloud Point Extraction Preconcentration

A method for the determination of trace mercury in water samples by hydride generation atomic absorption spectrophotometry after cloud point extraction was proposed in the present work. The effects of pH, concentration of surfactant, and equilibration time on cloud point extraction were discussed. The enhancement factor of 20 and the detection limit of 0.039 μg/L were obtained for mercury with relative standard deviation of 4.8% （n = 11）.

Catalytic Spectrophotometry for Vanadium Determination Based on Oxidation of Arsenazo Ⅲ by Bichromate

A catalytic spectrophotometry for the determination of trace amount of vanadium was developed based on its catalytic effect on the oxidation of arsenazo by potassium bichromate in weak acidic medium. The optimized conditions for determinations are: cK2Cr2O7=3.010-5 molL-1, carsenazo =3.010-5 molL-1, pH=4.0, t=90. The calibration graph is linear for 0.020.2 gml-1, and the detection limit is 0.02 gml-1 V. The apparent active energy of this catalytic reaction is 21.72 kJmol-1. Most foreign ions do not interfere with the determination of vadadium, except for Fe() and Co(), and their interferences could be eliminated by ion exchange. The present method has been used to make the determination of vanadium in human hair, tea, potato and wastewater, and the results were satisfactory.

The Simultaneous Determination of Five Components Including Acetaminophen by Ridge Regression Spectrophotometry

Ridge regression spectrophotometry(LHG)is used for thesimultaneous determination of five components(acetaminophen,p-aminophenol, caffeine, chlorphenamine maleate and guaifenesin)incough syr- up. The computer program of LHG is based on VB language.The difficulties in overlapping of absorption spectrums of fivecompounds are overcome by this procedure. The experimental resultsshow that the recovery of each component is in the range from97.9/100 to 103.3/100 and each component obtains satisfactory resultswithout any pre-separation.

Dual-wavelength dual-indicator catalytic kinetic spectrophotometry for determination of trace Ru(Ⅲ)

A new dual-wavelength dual-indicator catalytic kinetic spectrophotometric method for the determination of trace Ru(III)was studied.This method was based on Ru(III)-catalyzing oxidation of Arsenazo I and indigo carmine by potassium bromate in sulfuric acid.The absorbances of the catalytic and noncatalytic systems were measured at 510 and610 nm,respectively.Under the optimum conditions,the linear range of determination is 0–0.12 lgáml-1and the detection limit is 1.21 9 10-4lgáml-1.The method was applied for the determination of trace Ru(III)in ore samples with satisfactory results.

Determination of Trace Amount of Yttrium with Bromopyrogallol Red by solid-phase Spectrophotometry

A simple and sensitive method for the determination of trace amount of yttrium by solid-phase spectrophotometry has been studied. Yttrium can form a 1 : 1 complex with bromopyrogallol red (BPR) on resin, which was determined directly at 605 nm, pH=6.5. It has a highly sensitivity (epsilon = 6.3 x 10(6)) which is 300-fold higher than the corresponding spectrophotometry in solution. The method was applied to the determination of yttrium in churchite.

Study on New Sensitive Method of Determination of Phosphorus by Solid Phase Spectrophotometry

The use of solid phase spectrophotometry for the determination of trace phosphorus in the system of phosphomolybdate-fructose is described. The adsorption of the system on anion-exchange resin is reported.

New Approach to Detecting Phenoxyl Free Radicals Generated in Enzyme Reaction by Stopped-flow Spectrophotometry

A highly sensitive stopped-flow spectrophotometry kinetic method was proposed for quantification phenoxyl radicals based on their accelerating effect on the oxidation of nicotinamide adenine dinucleotide （NADH）. Phenoxyl radicals generated from as low as 1×10^-8 mol/L 2,4-DCP can be readily detected with the proposed method and the detecting limit was 2.5×10^-9 mol/L.

Kinetic Investigation of Ce,Y-CPAmA Systems and Simultaneous Determination of Sc,Y,Ce via Complementary Tristimulus Spectrophotometry

In the past ten years the eomplementary tristimulus speetrophotometryll],eTs,has seen its diverse appli-eations{2一61 though most researehes remain in relatively simpe systems,and less work has been involvinkinetie reaetions. An attemPt has been made on the investigation of some comPlieated systems eontainingrare earths and meta一acetylchloroPhosPhonaz

DETERMINATION OF POLYDATIN IN POLYGONUM CUSPIDTUM SIEB. ET ZUCC. BY TLC-FLUORESCENCE SPECTROPHOTOMETRY

Objective A method of TLC-fluorescence spectrophotometry was established to assay the content of polydatin in polygonum cuspidatum sieb. et zucc. Methods: Polydatin was extracted by methanol and separated with chloroform-acetone-formic acid-water (4∶4∶0.5∶0.2) by thin layer chromatography. The excitation wavelength and emission wavelength were 284 nm and 384 nm, respectively. Results The linear regression equation of the calibration graph was y=7.02179x+4.5143, a linear regression correlative coefficient r=0.9936. Conclusion This method was proved simple, stable and sensitive. It can be used in quality control of herbs.

Concentration determination of gold nanoparticles by flame atomic absorption spectrophotometry

While engineered nanoparticles are widely used and maybe eventually released into the environment,natural nanoparticles are also commonly found in the Earth system.Nanoparticles may critically affect the geochemical migration of associated elements and pose potential threats to the ecological environment.It is necessary to establish an accurate and reliable method for measuring the concentration of nanoparticles.AAS is one of the most commonly used methods for the concentration determination of nanoparticles.However,till now,there has been no systematic report on how experimental variables affect AAS measurements.In this study,we used gold nanoparticles(AuNPs) as an example and studied the influences of a list of factors on the concentration determination of AuNPs by AAS,including digestion method,ionization interference,acidic medium,background correction method,and organic matter.We demonstrate that all these factors may have varying degrees of influence on the measured gold concentrations.When the gold colloid is digested at room temperature for more than 8 h or at 60℃ for more than 2 h,and the system contains a low concentration of organic matter,AAS can accurately measure the AuNP concentration at ppm-level.The deuterium lamp background deduction method is not recommended to use for samples with lower gold concentrations.

SIMULTANEOUS DETERMINATION OF NEODYMIUM AND PRASEODYMIUM BY ZERO-ORDER AND FOURTH-ORDER DFRIVATIVE SPECTROPHOTOMETRY

With derivative spectrophotometric method,the complexes of lanthanides with 2-(5-bromo-2-pyridylazo)-5-diethylaminophen- ol(5-Br-PADAP)in the presence of octylphenol poly(ethyleneg- lycol)ether(TX-100)were studied.It is found that the maximum absorption of fourth-order derivative spectra of the neodymium complex by 4f electron transitions is at 579(+)nm and 582(-)nm with molar derivative absorptivities of 5.2×10~3 1.mol^(-1).cm^(-1). The maximum absorption of the zero-order derivative spectra of the complexes for neodymium and praseodymium is at 580hm,the molar absorptivities are 1.47×10~5 l.mol^(-1).cm^(-1)for Nd and 1.26 ×10~5 l.mol^(-1).cm^(-1)for Pr.The component ratio of the complex is Nd:5-Br-PADAP=1:4.Beer's law is obeyed in the range of 0-3.75μg of Nd and Pr in 25ml of solution.The method has been used for the simultaneous determination of Nd and Pr in four synthetic samples and the results obtained are satisfactory.

PARTIAL LEAST-SQUARES(PLS)REGRESSION AND SPECTROPHOTOMETRY AS APPLIED TO THE ANALYSIS OF MULTICOMPONENT MIXTURES

The UV absorption spectra of o-naphthol,α-naphthylamine,2,7-dihydroxy naphthalene,2,4-dimethoxy ben- zaldehyde and methyl salicylate,overlap severely;therefore it is impossible to determine them in mixtures by traditional spectrophotometric methods.In this paper,the partial least-squares(PLS)regression is applied to the simultaneous determination of these compounds in mixtures by UV spectrophtometry without any pretreatment of the samples.Ten synthetic mixture samples are analyzed by the proposed method.The mean recoveries are 99.4%,996%,100.2%,99.3% and 99.1%,and the relative standard deviations(RSD) are 1.87%,1.98%,1.94%,0.960% and 0.672%,respectively.

ULTRAVIOLET SPECTROPHOTOMETRY OF MULTI-COMPONENT MIXTURES USING ARTIFICIAL NEURAL NETWORKS

Three—layer back—propagation neural networks were used for processing the information provided by the ultraviolet spectra of five—component mixtures, affecting the simultaneous determination of the components with satisfactory results.

Quantitative analysis of cefixime via complexation with palladium(Ⅱ) in pharmaceutical formulations by spectrophotometry

An optimized and validated spectrophotometric method has been developed for the determination of cefixime in pharmaceutical formulations. The method is based on the complexa- tion reaction between cefixime and palladium ion in the presence of acidic buffer solution （pH 3） in ethanol-distilled water medium at room temperature. The complex absorbed maximally at 352 nm. Beer＇s law is obeyed in the working concentration range of 2.5-35 μg/mL with apparent molar absorptivity of 1.015×104 L/mol cm and Sandell＇s sensitivity of 0.001 μg/cm2/0.001 absorbance unit. The limits of detection and quantitation for the proposed method are 0.175 and 0.583μg/mL, respectively. The effect of common excipients used as additives has been studied in the determination of cefixime. The proposed method has been successfully applied for the determina- tion of cefixime in pharmaceutical formulations. The results obtained by the proposed method were statistically compared with the reference method using t and F values and found no significant difference between the two methods.

Analysis of Peanut Oil Adulterated with Other Edible Oils by Spectrophotometry

Since peanut oil（PO） is more expensive than other seed oils, some PO is adulterated with other cheap seed oils, such as soybean oil, palm olein, cottonseed oil, corn oil and rapeseed oil. The conventional method for deter mining whether PO was adulterated is to detect the freezing point of oils. The proposed method for the determination of adulterants in PO was based on monitoring the change of absorbance when the sample was refrigerated. A special spectrophotometer was developed. A total of 10 kinds of POs from different suppliers were chosen and adulterated with other seed oils at the volume fraction levels ranging from 5% to 30%. A total of 150 samples were analyzed by the proposed method and the results were satisfactory.