Abstract
Chemometrics can be very useful for the classical field of UV–Vis determination of metals in aqueous solutions. A conventional approach consisting of using selective bands in a univariate mode is often not applicable to the real-world samples from e.g. hydrometallurgical processes, because of overlapping signals, light scattering on foreign particles, gas bubble formation, etc. And this is where chemometrics can do a good job. This paper overviews certain contributions to the field of multivariate data processing of UV–Vis spectra for seemingly simple case of metal detection in aqueous solutions. Special attention is given to applications in nuclear technology field.
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Wold S (1972) Spline functions, a new tool in data-analysis. Kem Tidskr 3:34–37
Wold S, Sjöström M (1998) Chemometrics, present and future success. Chemom Intel Lab Syst 44:3–14
Wetzel D (1983) Near-infrared reflectance analysis. Anal Chem 55:1165A–1176A
Blanco M, Villarroya I (2002) NIR spectroscopy: a rapid-response analytical tool. Trends Anal Chem 21:240–250
Roggo Y, Chalus P, Maurer L, Lema-Martinez C, Edmond A, Jent N (2007) A review of near infrared spectroscopy and chemometrics in pharmaceutical technologies. J Pharmaceut Biomed 44:683–700
Jimaré Benito M, Bosch Ojeda C, Sanchez Rojas F (2008) Process analytical chemistry: applications of near infrared spectrometry in environmental and food analysis—an overview. Appl Spectrosc Rev 43:452–484
Andrade-Garda JM (ed) (2009) Basic chemometric techniques in atomic spectroscopy. RSC Publishing, London
Henry R, Koller D, Liezers M, Farmer OT III, Barinaga C, Koppenaal D, Wacker J (2001) New advances in inductively coupled plasma–mass spectrometry (ICP-MS) for routine measurements in the nuclear industry. J Radioanal Nucl Chem 249:103–108
Pathak AK, Kumar R, Singh VK, Agrawal R, Rai S, Kumar Rai A (2012) Basic chemometric techniques in atomic spectroscopy. Appl Spectrosc Rev 47:14–40
Downey G (1998) Food and food ingredient authentication by mid-infrared spectroscopy and chemometrics (review). Trends Anal Chem 17:418–424
Łobiński R, Marczenko Z (1992) Recent advances in ultraviolet-visible spectrophotometry. Crit Rev Anal Chem 23:55–111
Otto M, Wegscheider W (1985) Spectrophotometric multicomponent analysis applied to trace metal determinations. Anal Chem 57:63–69
Bebee K, Kowalski B (1987) An introduction to multivariate calibration and analysis. Anal Chem 59:1007
Thomas E, Haaland D (1990) Comparison of multivariate calibration methods for quantitative spectral analysis. Anal Chem 62:1091–1099
Vitouchová M, Jančář L, Sommer L (1992) Interaction of iron(II) and the simultaneous spectrophotometric determination of Fe, Cu, Zn, Co and Ni with 2-(5-bromo-2-pyridylazo)-5-diethylaminophenol. Fresenius J Anal Chem 343:274–279
Rodriguez A, de Torres A, Pavon J, Ojeda C (1993) Simultaneous spectrophotometric determination of cadmium, copper and zinc. Talanta 40:1861–1866
Rodriguez A, de Torres A, Pavon J, Ojeda C (1998) Simultaneous determination of iron, cobalt, nickel and copper by UV–visible spectrophotometry with multivariate calibration. Talanta 47:463–470
Iida Y (1987) Repetitive spectral subtraction method for the spectrophotometric determination of rare earth elements. Fresenius J Anal Chem 328:547–552
Carey W, Wangen L (1989) Spectrophotometric method for the analysis of plutonium and nitric acid using partial least-squares regression. Anal Chem 61:1667–1669
Carey W, Wangen L (1991) Determining chemical characteristics of plutonium solutions using visible spectrometry and multivariate chemometric methods. Chemom Intell Lab Syst 10:245–257
Peralta-Zamora P, Cornejo-Ponce L, Nagata N, Poppi R (1997) Chemometric alternatives for resolution of classical analytical problems. Spectrophotometric determination of lanthanide mixtures. Talanta 44:1815–1822
Meinrath G (1998) Chemometric analysis: uranium(VI) hydrolysis by UV–Vis spectroscopy. J Alloy Compounds 277:777–781
Meinrath G (1998) Direct spectroscopic speciation of schoepite-aqueous phase equilibria. J Radioanal Nucl Chem 232:179–188
Meinrath G, Lis S, But S, Elbanowski M (2001) Chemometric and statistical analysis of polyoxometalate interaction with lanthanide(III) ions. Talanta 55:371–386
Meinrath G, Lis S, Elbanowski M (2004) Spectroscopy, chemometrics and metrology—three aspects of lanthanide chemistry. J Alloy Compounds 380:413–417
Meinrath G, Lis S, Böhme U (2006) Quantitative evaluation of Ln(III) pyridine N-oxide carboxylic acid spectra under chemometric and metrological aspects. J Alloy Compounds 412:962–969
Kaczmarek M, Meinrath G, Lis S, Kufelnicki A (2008) The interaction of arsenazo III with Nd(III)—a chemometric and metrological analysis. J Solut Chem 37:933–946
Lis S, Meinrath G, Glatty Z, Kubicki M (2010) Spectroscopic speciation and structural characterisation of uranyl(VI) interaction with pyridine carboxylic acid N-oxide derivatives. Inorg Chim Acta 363:3847–3855
Ni Y, Wu Y (1999) Spectrophotometric determination of europium, terbium and yttrium in a perchloric acid solution by the Kalman filter approach. Anal Sci 15:1123–1127
Haswell S, Walmsley A (1999) Chemometrics: the issues of measurement and modelling. Anal Chim Acta 400:399–412
Wang L, Wang X, Wang Y (2013) Structure of a piperidine-modified calix[4]arene derivative and spectral resolution of its interaction with rare earth metals with chemometric methods. Spectrochim Acta A 105:62–66
Rodionova O, Tikhomirova T, Pomerantsev A (2015) Spectrophotometric determination of Rare Earth Elements in aqueous nitric acid solutions for process control. Anal Chim Acta 869:59–67
Baumgärtner F, Ertel D (1980) The modern PUREX process and its analytical requirements. J Radioanal Chem 58(1–2):11–28
Ache H (1992) Analytical chemistry in nuclear technology. Fresenius J Anal Chem 343:852–862
Pomerantsev A, Rodionova O (2012) Process analytical technology: a critical view of the chemometricians. J Chemom 26:299–310
Richter S, Goldberg S (2003) Improved techniques for high accuracy isotope ratio measurements of nuclear materials using thermal ionization mass spectrometry. Int J Mass Spectrom 229:181–197
Chartier F, Aubert M, Pilier M (1999) Determination of Am and Cm in spent nuclear fuels by isotope dilution inductively coupled plasma mass spectrometry and isotope dilution thermal ionization mass spectrometry after separation by high-performance liquid chromatography. Fresenius J Anal Chem 364:320–327
Betti M (1997) Use of ion chromatography for the determination of fission products and actinides in nuclear applications. J Chromatogr A 789:369–379
Benedict M, Pigford T, Levi H (1981) Nuclear chemical engineering, 2nd edn. McGraw-Hill, New York, pp 457–564
Mathur J, Murali M, Nash K (2001) Actinide partitioning—a review. Solv Extr Ion Exch 19:357–390
Tachimori S, Morita Y (2009) Overview of solvent extraction chemistry for reprocessing. Ion exchange & solvent extraction: a series of advances, vol 19. CRC Press, Boca Raton, pp 1–63
Bostick D (1978) The simultaneous analysis of uranium and nitrate. ORNL/TM-6292, Oak Ridge National Laboratory Report. http://www.osti.gov/scitech/biblio/5080075, Accessed 25 Jan 2017
Rodden C (1941) Spectrophotometric determination of praseodymium, neodymium, and samarium. J Res Nat Bur Stand 26:557–570
Parus J, Kierzek J, Zoltowski T (1977) Online control of nuclear fuel reprocessing. Nukleonika 22:759–776
Madic C, Hobart D, Begun G (1983) Raman spectrometric studies of actinide(V) and actinide(VI) complexes in aqueous sodium-carbonate solution and of solid sodium actinide(V) carbonate compounds. Inorg Chem 22:1494–1503
Madic C, Begun G, Hobart D, Hahn R (1984) Raman spectroscopy of neptunyl and plutonyl ions in aqueous solution: neptunium(VI) and plutonium(VI) and disproportionation of plutonium(V). Inorg Chem 23:1914–1921
Colston B, Choppin G (2001) Evaluating the performance of a stopped-flow near-infrared spectrophotometer for studying fast kinetics of actinide reactions. J Radioanal Nucl Chem 251:21–26
Janssens-Maenhout G, Nucifora S (2007) Feasibility study of a microsystem to analyse radioactive solutions. Nucl Eng Design 237:1209–1219
Warburton J, Smith N, Czerwinski K (2010) Method for online process monitoring for use in solvent extraction and actinide separations. Sep Scie Technol 45:1763–1768
Lascola R, Livingston R, Sanders M, McCarty J, Dunning J (2002) Online spectrophotometric measurements of uranium and nitrate concentrations of process solutions for Savannah River Site’s H-Canyon. J Process Anal Chem 7:14–20
Smith N, Cerefice G, Czerwinski K (2013) Fluorescence and absorbance spectroscopy of the uranyl ion in nitric acid for process monitoring applications. J Radioanal Nucl Chem 295:1553–1560
Fujii T, Egusa S, Uehara A, Yamana H, Morita Y (2013) Quantitative analysis of neodymium, uranium, and palladium in nitric acid solution by reflection absorption spectrophotometry. J Radioanal Nucl Chem 295:2059–2062
Ganesh S, Velavendan P, Pandey N, Kamachi Mudali U, Natarajan R (2013) Direct spectrophotometric determination of ruthenium in aqueous streams of nuclear reprocessing. Radioanal Nucl Chem 295:2091–2094
Fukasawa T, Kawamura F (1991) Photochemical reactions of neptunium in nitric acid solution containing photocatalyst. J Nucl Scie Technol 28:27–32
Precek M, Paulenova A, Mincher B (2012) Reduction of Np(VI) in irradiated solutions of nitric acid. Proced Chem 7:51–58
Guillaume B, Hobart D, Bourges J (1981) Cation-cation complexes of pentavalent actinides 2. Spectrophotometric study of complexes of Am(V) with U022+ and Np022+ in aqueous perchlorate solution. J Inorg Nucl Chem 43:3295–3299
Boisde G, Perez J (1984) Remote Spectrometry With Optical Fibers, Ten Years Of Development And Prospects For On-Line Control. Proceedings SPIE 0514, 2nd international conference on optical fiber sensors: OFS’84, 227 (November 21, 1984); http://dx.doi.org/10.1117/12.945088, Accessed 25 Jan 2017
Moser D, Klatt L (1986) Application of in-line photometer to solvent extraction process control, Control and instrumentation http://www.iaea.org/inis/collection/NCLCollectionStore/_Public/18/050/18050429.pdf, Accessed 25 Jan 2017
Van Hare D, O’Rourke P, Prather W (1988) Online fiber optic spectrophotometry (No. DP-MS-88-186; CONF-881143-1) Savannah River National Laboratory Report, Aiken, USA, http://www.osti.gov/scitech/biblio/6710161, Accessed 25 Jan 2017
O’Rourke P, Van Hare D, Prather W (1992) On-line process control monitoring system. US Patent 5131746
Biirck J (1991) Spectrophotometric determination of uranium and nitric acid by applying partial least squares regression to uranium(VI) absorption spectra. Anal Chim Acta 254:159–165
Bryan S, Levitskaia T (2007) Monitoring and control of Purex radiochemical processes. Proceedings of international conference GLOBAL-2007, Boise, Idaho. http://toc.proceedings.com/02031webtoc.pdf, Accessed 25 Jan 2017
Bryan S, Levitskaia T, Casella A, Peterson J, Johnsen A, Lines A, Thomas E (2011) In: Nash KL, Lumetta GJ (eds) Advanced separation techniques for nuclear fuel reprocessing and radioactive waste treatment. Woodhead Publishing, Sawston
Kirsanov D, Babain V, Agafonova-Moroz M, Lumpov A, Legin A (2012) Combination of optical spectroscopy and chemometric techniques–a possible way for on-line monitoring of spent nuclear fuel (SNF) reprocessing. Radiochim Acta 100:185–188
Kirsanov D, Babain V, Agafonova-Moroz M, Lumpov A, Legin A (2013) Approach to on-line monitoring of PUREX process using chemometric processing of the optical spectral data. Radiochim Acta 101:149–154
Li L, Zhang H, Ye G (2013) Simultaneous spectrophotometric determination of uranium, nitric acid and nitrous acid by least-squares method in PUREX process. J Radioanal Nucl Chem 295:325–330
Bryan S, Levitskaia T, Johnsen A, Orton C, Peterson J (2011) Spectroscopic monitoring of spent nuclear fuel reprocessing streams: an evaluation of spent fuel solutions via Raman, visible, and near-infrared spectroscopy. Radiochim Acta 99:563–572
Nee K, Bryan S, Levitskaia T, Nilsson M (2013) Spectroscopic and physicochemical measurements for on-line monitoring of used nuclear fuel separation processes. Proceedings of international conference GLOBAL-2013, Salt Lake City, Utah, September 29–October 3, 2013, pp. 931–935, http://toc.proceedings.com/21109webtoc.pdf, Accessed 25 Jan 2017
Casella A, Levitskaia T, Peterson J, Bryan S (2013) Water O–H stretching Raman signature for strong acid monitoring via multivariate analysis. Anal Chem 85:4120–4128
Casella A, Ahlers L, Campbell E, Levitskaia T, Peterson J, Smith F, Bryan S (2015) Development of online spectroscopic pH monitoring for nuclear fuel reprocessing plants: weak acid schemes. Anal Chem 87:5139–5147
Bryan S, Levitskaia T, Casella A, Peterson J (2013) Spectroscopic online monitoring for process control and safeguarding of radiochemical fuel reprocessing streams. In the proceedings of WM2013 conference, Phoenix, Arizona USA, February 24 – 28, 2013, http://www.wmsym.org/archives/2013/papers/13553.pdf, Accessed 25 Jan 2017
Debus B, Kirsanov D, Ruckebusch C, Agafonova-Moroz M, Babain V, Lumpov A, Legin A (2015) Restoring important process information from complex optical spectra with MCR-ALS: Case study of actinides reduction in spent nuclear fuel reprocessing. Chemom Intel Lab Syst 146:241–249
Rodionova O, Pomerantsev A (2016) Non-linear multivariate curve resolution applied to the spectrophotometric determination of cerium(III) in aqueous nitric acid solutions for process control. Anal Methods 8:435–440
Manne R (1995) On the resolution problem in hyphenated chromatography. Chemom Intel Lab Syst 27:89–94
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This work was partially financially supported by Government of Russian Federation (Grant 074-U01).
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Kirsanov, D., Rudnitskaya, A., Legin, A. et al. UV–Vis spectroscopy with chemometric data treatment: an option for on-line control in nuclear industry. J Radioanal Nucl Chem 312, 461–470 (2017). https://doi.org/10.1007/s10967-017-5252-8
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DOI: https://doi.org/10.1007/s10967-017-5252-8