Abstract
Aquaphotomics is a new discipline that provides a framework for understanding changes in water molecular system presented as a water spectral pattern, to mirror the rest of the solution and to give a holistic description related to system functionality. One of its main purposes is to identify water bands as main coordinates of future absorbance patterns to be used as a system biomarker. This chapter presents the Aquaphotomics methodology and illustrates a way to identify specific water bands using temperature change and addition of solutions of different ionic strength as perturbations. Rapid and precise measurement of low concentration solutes has been given as a strong evidence of the vast information that “the water spectral pattern as molecular mirror” approach provides. Few applications using near infrared spectroscopy and multivariate analysis as main tools of Aquaphotomics have been presented.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Similar content being viewed by others
References
Abdollahi H, Tauler R (2011) Uniqueness and rotation ambiguities in Multivariate Curve Resolution methods. Chemom Intell Lab Syst 108:100–111. doi:10.1016/j.chemolab.2011.05.009
Afseth NK, Kohler A (2012) Extended multiplicative signal correction in vibrational spectroscopy, a tutorial. Chemom Intell Lab Syst 117:92–99. doi:10.1016/j.chemolab.2012.03.004
Czarnik-Matusewicz B, Pilorz S (2006) Study of the temperature-dependent near-infrared spectra of water by two-dimensional correlation spectroscopy and principal components analysis. Vib Spectrosc 40:235–245. doi:10.1016/j.vibspec.2005.10.002
Franks F (1973) Water: a comprehensive treatise. Plenum Press, New York, pp 276–279
Frost VJ, Molt K (1997) Analysis of aqueous solutions by near-infrared spectrometry (NIRS) III. Binary mixtures of inorganic salts in water. J Mol Struct 410-411:573–579. doi:10.1016/S0022-2860(96)09707-4
Gowen AA, Amigo JM, Tsenkova R (2013) Characterisation of hydrogen bond perturbations in aqueous systems using aquaphotomics and multivariate curve resolution-alternating least squares. Anal Chim Acta 759:8–20. doi:10.1016/j.aca.2012.10.007
Gowen AA, Marini F, Tsuchisaka Y, De Luca S, Bevilacqua M, O’Donnell C, Downey G, Tsenkova R (2015) On the feasibility of near infrared spectroscopy to detect contaminants in water using single salt solutions as model systems. Talanta 131:609–618. doi:10.1016/j.talanta.2014.08.049
Inoue A, Kojima K, Taniguchi Y, Suzuki K (1984) Near-infrared spectra of water and aqueous electrolyte solutions at high pressures. J Solut Chem 13:811–823
Jaumot J, Gargallo R, de Juan A, Tauler R (2005) A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB. Chemom Intell Lab Syst 76:101–110. doi:10.1016/j.chemolab.2004.12.007
Jinendra BM (2010) Near infrared spectroscopy and aquaphotomics: novel approach for rapid in vivo diagnosis of soybean. Ph.D thesis, Kobe University
Jinendra B, Tamaki K, Kuroki S, Vassileva M, Yoshida S, Tsenkova R (2010) Near infrared spectroscopy and aquaphotomics: novel approach for rapid in vivo diagnosis of virus infected soybean. Biochem Biophys Res Commun 397:685–690. doi:10.1016/j.bbrc.2010.06.007
Kinoshita K, Miyazaki M, Morita H, Vassileva M, Tang C, Li D, Ishikawa O, Kusunoki H, Tsenkova R (2012) Spectral pattern of urinary water as a biomarker of estrus in the giant panda. Sci Rep 2:856. doi:10.1038/srep00856
Lin J, Brown CW (1993) Near-IR spectroscopic measurement of seawater salinity. Environ Sci Technol 27:1611–1615. doi:10.1021/es00045a017
Maeda H, Ozaki Y, Tanaka M, Hayashi N, Kojima T (1995) Near infrared spectroscopy and chemometrics studies of temperature-dependent spectral variations of water: relationship between spectral changes and hydrogen bonds. J Near Infrared Spectrosc 3:191–201. doi:10.1255/jnirs.69
Matija LR, Tsenkova RN, Miyazaki M, Banba K, Muncan JS (2012) Aquagrams: water spectral pattern as characterization of hydrogenated nanomaterial. FME Trans 40:51–56
McNaught AD, Wilkinson A (1997) Terminology, compendium of chemical (the “Gold Book”), 2nd edn. Blackwell Scientific Publications, Oxford
Molt K, Niemöller A, Cho YJ (1997) Analysis of aqueous solutions by near-infrared spectrometry (NIRS) II. Titrations of weak and very weak acids with strong bases. J Mol Struct 410–411:565–572. doi:10.1016/S0022-2860(96)09706-2
Murayama K, Czarnik-Matusewicz B, Wu Y, Tsenkova R, Ozaki Y (2000) Comparison between conventional spectral analysis methods, chemometrics, and two-dimensional correlation spectroscopy in the analysis of near-infrared spectra of protein. Appl Spectrosc 54:978–985. doi:10.1366/0003702001950715
Nakakimura Y, Vassileva M, Stoyanchev T, Nakai K, Osawa R, Kawano J, Tsenkova R (2012) Extracellular metabolites play a dominant role in near-infrared spectroscopic quantification of bacteria at food-safety level concentrations. Anal Methods 4:1389. doi:10.1039/c2ay05771a
Putra A, Santo R, Kuroki S, Tsenkova R (2010) Robust spectral model for low metal concentration measurement in aqueous solution reveals the importance of water absorbance bands. In: Proceedings of the 14th international conference on near infrared spectroscopy, Bangkok, Thailand, pp 831–835
Raichlin Y, Katzir A (2008) Fiber-optic evanescent wave spectroscopy in the middle infrared. Appl Spectrosc 62:55A–72A
Robertson WWH, Diken EEG, Price EAE, Shin J-W, Johnson MA (2003) Spectroscopic determination of the OH- solvation shell in the OH-. (H2O)n clusters. Science 299:1367–1372. doi:10.1126/science.1080695
Seasholtz M, Kowalski B (1990) Qualitative information from multivariate calibration models. Appl Spectrosc 44:1337–1348
Segelstein D (1981) The complex refractive index of water. M.S. thesis, p 167
Segtnan VH, Šašić Š, Isaksson T, Ozaki Y (2001) Studies on the structure of water using two-dimensional near-infrared correlation spectroscopy and principal component analysis. Anal Chem 73:3153–3161. doi:10.1021/ac010102n
Smith JD, Cappa CD, Wilson KR, Geissler PL, Cohen RC, Saykally RJ (2005) Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water. Proc Natl Acad Sci 102:14171
Tsenkova R (2009) Introduction aquaphotomics: dynamic spectroscopy of aqueous and biological systems describes peculiarities of water. J Near Infrared Spectrosc 17:303–314. doi:10.1255/jnirs.869
Tsenkova R (2010) Aquaphotomics: water in the biological and aqueous world scrutinised with invisible light. Spectrosc Eur 22:6–10
Tsenkova R, Atanassova S, Toyoda K (2001) Near infrared spectroscopy for diagnosis: influence of mammary gland inflammation on cow’s milk composition measurement. Near Infrared Anal 2:59–66
Tsenkova RN, Iordanova IK, Toyoda K, Brown DR (2004) Prion protein fate governed by metal binding. Biochem Biophys Res Commun 325:1005–1012. doi:10.1016/j.bbrc.2004.10.135
Tsenkova R, Iso E, Parker M, Fockenberg C, Okubo M (2007a) Aqua-photomics: a NIRS investigation into the perturbation of water spectrum in an aqueous suspension of mesoscopic scale polystyrene spheres. In: 13th international conference on near infrared spectroscopy. Umea-Vasa, Sweden & Finland, pp A–04: 72
Tsenkova R, Fockenberg C, Koseva N, Sakudo A, Parker M (2007b) Aqua-photomics: water absorbance patterns in NIR range used for detection of metal ions reveal the importance of sample preparation. In: 13th international conference on near infrared spectroscopy. Umea-Vasa, Sweden & Finland, 03–02: 73
Weber JMJ, Kelley J, Nielsen S, Ayotte P, Johnson M (2000) Isolating the spectroscopic signature of a hydration shell with the use of clusters: superoxide tetrahydrate. Science 287:2461–2463. doi:10.1126/science.287.5462.2461
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2015 Springer International Publishing Switzerland
About this chapter
Cite this chapter
Tsenkova, R., Kovacs, Z., Kubota, Y. (2015). Aquaphotomics: Near Infrared Spectroscopy and Water States in Biological Systems. In: Disalvo, E. (eds) Membrane Hydration. Subcellular Biochemistry, vol 71. Springer, Cham. https://doi.org/10.1007/978-3-319-19060-0_8
Download citation
DOI: https://doi.org/10.1007/978-3-319-19060-0_8
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-19059-4
Online ISBN: 978-3-319-19060-0
eBook Packages: Biomedical and Life SciencesBiomedical and Life Sciences (R0)