Aquaphotomics: Water Spectral Pattern Reveals UV Induced Changes of DNA and Identifies Bacteria Functionality Roumiana Tsenkova Kobe University, Japan [email protected] Water Conference 2015 1
Aquaphotomics: Water Spectral Pattern Reveals UV
Induced Changes of DNA and Identifies Bacteria Functionality
Roumiana TsenkovaKobe University, Japan
Water Conference 2015 1
水と
光Roumiana Tsenkova
Kobe University, Japan
Wa
ter an
d Lig
ht
Water Conference 2015 2
Contents
1. Near Infrared Spectroscopy
2. Aquaphotomics: introduction
3. Water Spectral Pattern Reveals :
- UV Induced Changes of DNA
- Bacteria Functionality
Water Conference 2015 3
Contents
1. Near Infrared Spectroscopy
2. Aquaphotomics: introduction
3. Water Spectral Pattern Reveals :
- UV Induced Changes of DNA
- Bacteria Functionality
Water Conference 2015 4
Functional NIRS, fNIRS: Probing Brain with Light
Photon Migration in TissueSource
Detector
Metabolic coupling during activation
Hemodynamic response
Neuronal-vascular coupling
Pulse oximetry
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Near infrared light
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X-rays UV VIS
赤外光
NIR IR μwave
R
Abs
T
small
small
big
big
small
small
Short NIR
0.01 0.4 wavelengths(μm)2.5 500.6 1.0
R
T
Abs
NIR range1-2
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Bio Fluid Analysis in Test Tubes
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PORTABLE
INSTRUMENTS and
FIBER PROBES
FOR TISSUE MEASUREMENTS
BIO MONITORING AND
BIO DIAGNOSIS
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“Altered milk components trace signals influence the bonding structure of water measured by NIRS all at once and provide rapid and accurate mastitis
diagnosis”
“…consecutive exposure of hydrogen bond network, in the body of mouse, to NIR light allowed successful diagnosis of fatal prion disease”
Aquaphotomics: B.M Jinendraa, K. Tamakib R.Tsenkovaa * Use of Near Infrared Spectroscopy for
Nondestructive and Rapid Detection of Soybean Plants Infected with Soybean Mosaic Virus. Abstract published at Japanese society of Near Infrared Spectroscopy, Tsukuba, 2007.
Aquaphotomics: R. Tsenkova, S. Atanassova, S. Kawano, K. Toyoda, ”Somatic cell count determination in cow
milk by near infrared spectroscopy: A new diagnostic tool”, J. Animal Sci. 2001 79: 2550-2557.
Aquaphotomics: Tsenkova, R., Iordanova, I., Toyoda, K and Brown, D., : Prion protein fate
governed by metal binding: BBRC. pp.1005-1012, 2004.
“ Monitoring of Second Overtone of Water Absorbance Bands Reveals Hypersensitive Response from Virus Infected Plants”
Soybean Mosaic disease
Prion disease
Water spectral patterns in bio monitoring and diagnosis
Mastitis disease
Virus diagnosis - HIV
“Regression vector coefficients reveals variations in water structures related to functionality of HIV”
Aqua-Photomics: Sakudo A., Tsenkova R., Onozuka D., Morita K., Li S, Warachit J., Iwabu I., Li G., Onodera T., Ikuta K., A novel diagnostic
method for human immunodeficiency virus type-1 in plasma by near-infrared spectroscopy. Microbiol Immunol, 49 (7), 695-701, 2005.Water Conference 2015 10
Cd ?
Investigation of the ability
of NIR spectroscopy to
detect cadmium ion with
low concentration in
aqueous solution.
Cd ?Cd ?
Investigation of the ability
of NIR spectroscopy to
detect cadmium ion with
low concentration in
aqueous solution.
“Mg/L concentration measurement of Cd, Mg, Mn, Zn in water solution possible because of the interaction with water “seen” by the NIR light at various water absorbance bands.
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
Wavelength
range (nm)Factor
Calibration Validation Prediction
R² SEC R² SEV R² SEP
400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98
“Better prediction of polystyrene mesoscopic particle concentration is obtained by multivariate analysis (a) based on water absorbance bands than univariate method based on polystyrene absorbance (b) band at 1680nm”
Aquaphotomics: Sakudo, A., Tsenkova, R., Tei, K., Onozuka, T., Ikuta, K., Yoshimura, E., and
Onodera, T.: Comparison of Vibration Mode of Metals in HNO3 by Partial Least Squares Regression , Bioscience, Biotechnology and Biochemistry, 2006.
Water spectral patterns in micro particle analysis
Aquaphotomics: A NIRS Investigation into the Perturbation of Water Spectrum in an Aqueous
Suspension of Mesoscopic Scale Polystyrene Spheres. Asia Near Infrared conference, Tsukuba 2008
Heavy metal in water
Micro particles in water
0.020.640.001-0.0001%
0.0140.750.01-0.001%
0.3630.690.1-0.01%
R2(b)R2(a)Particle size
0.020.640.001-0.0001%
0.0140.750.01-0.001%
0.3630.690.1-0.01%
R2(b)R2(a)Particle size
Microbial organism detection (bacteria)
On going work
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Wavelengths, nm
Absorbance
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WATER DYNAMIC SPECTRA2D and 3D Synchronous Correlation Maps
represent positive correlation
represent negative correlation
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WATER DYNAMIC SPECTRAPower Spectra at 1530nm
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Water Conference 2015 15
NIR rangeovertone region
IR rangefundamental
frequencies
WATER SPECTRUM
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NIR and H2O
• Vibration frequency ofhydrogen bonds in water arehighly influenced by nearbymolecules & environment
• Changes in these bonds may beused to gain information onthe changing environmentscausing them (e.g. Presence ofsolutes, changing temperature)
Water Conference 2015 17
Contents
1. Near Infrared Spectroscopy
2. Aquaphotomics: introduction
3. Water Spectral Pattern Reveals :
- UV Induced Changes of DNA
- Bacteria Functionality
Water Conference 2015 18
Aquaphotomics concept
Water as molecular mirror
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AQUAPHOTOMICSAqua - : water
Photo - : light
Omics - : all about,
complement of something
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Paracelsus in the 16thcentury said that “water was the
matrix of the world and ofall its creatures.”
The properties of liquid water that governprocesses such as aqueous solvation and thetransport of protons arise from the motions
of water molecules within a constantlychanging network of hydrogen bonds.
Water Conference 2015 21
Albert Szent-Gyorgyi
suggested that biology
did not succeed
in understanding basic living functions because it focused its
attention to a substance in the form of particles dissecting them from
two matrixes:
water and electromagnetic field
Szent-Gyorgyi, A. Bioenergetics. Academic Press, New York. 1957 Water Conference 2015 22
Spectral
Data Base
Bio・AqueousSystem NIR spectrum
WAMACS
Activated Water
Absorbance Bands
water
Water Absorbance
Spectral Pattern,
WASP
Perturbations
AQUAPHOTOMICS:
WATER as aMOLECULAR MIRROR
WAMACS = Water Matrix Coordinates, i.e. water absorbance bands in VIS-NIR range
AQUAPHOTOMICS: THE CONCEPT
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AQUAPHOTOME
is the entire complements of
water matrix coodinates
found under
various perturbations
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Water Matrix Coordinates:
Water absorbance bands corresponding to pools of water
molecules with the same vibration frequency
WAMACS
Water Conference 2015 25
1330 1340 1350 1360 1370 1380 1390 1400 1410 1420 1430 1440 1450 1460 1470 1480 1490 1500 1510 1520
Water Illumination
Water Temperature
Water Time (Vapor)
HSA(Concentration High)
HSA(Concentration Low)
Globulin
Prion protein PrP
Prion protein PrP (Cu)
Prion protein PrP (Mn)
Prion protein Water (Mn)
Milk Protein (Healthy)
Milk Protein (Mastitis)
Milk Cell count (Mastitis)
Quarter milk(Healthy)
Quarter milk(Mastitis)
Milk Healthy
Milk Mastitis
Blood Healthy
Blood Mastitis
Urine Healthy
Urine Mastitis
Particle Polystyrene
Wheat Protein
Wheat PSI (Kernel texture)
Wheat MTI (Kernel texture)
Wheat Water (Kernel texture)
1506~1516
1370~1376 1398~14181336~1348 1380~1388 1421~1430
1432~1444
1448~1454
1462~14681472~1482
1482~14951360~1366
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12Water Conference 2015 26
AssignmentC1 - 1336-1348 (1342)nm – ν3
1344nm H2O - 2* ν3 (Siesler, Ozaki, Kawata, & Heise, 2001)1340nm liquid water/moisture (Williams, 2009)
C2 - 1360-1366 (1364)nm – OH-(H2O)1, OH-(H2O)2, OH-(H2O)4
1360nm 1st overtone free OH stretch (OH-(H2O)4) - 3675cm-1 (Robertson, Diken, Price, Shin, & Johnson, 2003)1366nm 1st overtone OH- stretch (OH-(H2O)2) - 3660cm-1 (Robertson et al., 2003)
C3 - 1370-1379 (1374)nm – ν1 + ν3
1379.3nm H2O - ν1 + ν3 – 7250cm-1 (Siesler et al., 2001)1379.3nm overtone of stretching vibration – 7250cm-1 (Kuroda, Hamano, Mori, Yoshikawa, & Nagao, 2000)1373 nm first overtone of 2νOH (Lakshmi Reddy, Padma Suvarna, Udayabhaska Reddy, Endo, & Frost, 2014)
C4 - 1380-1388 (1384)nm – OH-(H2O)1, OH-(H2O)4, O2-(H2O)4
1383.15nm 1st overtone interwater / DD stretch (OH-(H2O)4) - 3615cm-1
(Robertson et al., 2003)1381nm H2O-ν1+ ν3 (Cattaneo, Cabassi, Profaizer, & Giangiacomo, 2009)
Water Conference 2015 27
Water Absorbance Pattern, WAP
AQUAGRAMAquagram was devised to visualize the
WASP.
The aquagram displays normalized absorbance values at specific water
bands on the axes originating from the center of the graph.
Absorbance values at the WAMACs are placed on the respective radial axes.
Water Conference 2015 28
WATER and VAPORSPECTRA and AQUGRAM
-1.5
-1
-0.5
0
0.5
1
1.5
2
2.5
3
3.5
1344nm(V3)
1364nm(water shell)
1372nm(V1+V3)
1382nm(water shell)
1398nm(free OH)
1410nm(S0, free water)
1438nm(H5O2)
1444nm(S1)
1464nm(S2)
1474nm(S3)
1492nm(S4)
1518nm(V1, V2)
moisture
water
1300 1410 1490 1580 1680
Wavelength (nm)
Abso
rban
ce
1362
1382
1372
1452
VAPOR WATER
MPA
AA'
A : Absorbance after EMSC (1300-1600 nm)μ:Mean of Averaged spectraσ:SD of absorbance each wave length
Water Conference 2015 29
Medical Science,
Pharmacy.
Engineering・
Building
bio-systemHOLISTIC
MODELS
throughanalyzing
spectral
changes of
WATER
MOLECULAR
SYSTEM
Spectral Data Base
Exp
erim
ents
Database
AQUAPHOTOME:Database of water
absorbance bands and
patterns
WAPS: Database of water
absorbance patterns
according to change
perturbation
WAMACS:Activated Water
Absorbance Bands
Biotechnology・
Basic Science
・ Analyzing of aqueous system
・ Interaction of water with DNA
・ Interaction of water with
organic and non-organic
molecules
・ Aqueous systems in cells
・ Aqueous systems in tissue
・ Aqueous systems in organs
・ Aqueous systems in whole
body
GOAL
Da
ta A
na
lysis
Applying in various fields
UV―VIS―IR
NIRS
WaterBio
Aqueous
System
Sun
Perturbations
Multivariate Analysis
AQUAPHOTOMICS
Water Conference 2015 30
WATER NANOSTRUCTURE
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WATERChange in temperature
-2
-1.5
-1
-0.5
0
0.5
1
1.5
2
1344nm(V3)
1364nm(OH-H2O)
1372nm(V1+V3)
1382nm(O2-(H2O)4
1398nm(free OH)
1410nm(S0, free water )
1438nm(H5O2)
1444nm(S1)
1464nm(S2)
1474nm(S3)
1492nm(S4)
1518nm(V1, V2)
30℃
35℃
40℃
45℃
50℃
55℃
60℃
65℃
1300 1410 1490 1580 1680
Wavelength (nm)
Abso
rban
ce
65℃60
55
50
45
40
35
30
MPA
Water Conference 2015 32
Water Conference 2015 33
1414nm
1386nm
1409nm
1462nm
1446nm
Plants 2D spectra1379 – 1382nm
1462 – 1464nm
1344nmDNA solutions
2D spectra
Nafion in water
Contents
1. Near Infrared Spectroscopy
2. Aquaphotomics: introduction
3. Water Spectral Pattern Reveals :
- UV Induced Changes of DNA
- Bacteria Functionality
Water Conference 2015 34
Detection of UV-induced cyclobutanepyrimidine dimers by near-infrared spectroscopy and aquaphotomics
Noriko Goto, Gyorgy Bazar, Zoltan Kovacs, Makoto Kunisada, Hiroyuki Morita, Seiichiro Kizaki, Hiroshi Sugiyama, Roumiana
Tsenkova*, Chikako Nishigori*
2015/7/2
Scientific reportsVolume
5Publisher
Nature Publishing Group
Water Conference 2015 35
Differential Near Infrared Spectra
DNA – mQ water
pUC18: Circular double stranded DNA and has 2686 base pairs.
Lambda DNA : Lambda is a medium size E.coli bacteriophage. The DNA molecule of 48502 basepairs is linear and except for the extreme ends double-stranded.
Water Conference 2015 36
1300 1350 1400 1450 1500 1550 1600-250
-200
-150
-100
-50
0
50
100
150
200
250
Wavelength (nm)
Arb
itra
ry u
nits
Lambda DNApUC18 DNApHSG298 DNApHSG396 DNA
1300 1350 1400 1450 1500 1550 16000.8
1
1.2
1.4
1.6
1.8
2
2.2
2.4
2.6
Wavelength (nm)
Arb
itra
ry u
nits
142213681368
1454
1506
1538
Deference between straight and circular
structure of DNAD1. λDNA: Straight chain of 48502 bpD2. pUC18: Circular chain of 2686 bpD3. pHSG298: Circular chain of 2675 bpD4. pHSG398: Circular chain of 2238 bp
Water Matrics Coordinates, WAMACSC2: 1366.1nm - aqueous proton [H+·(H2O)2] -H2O asymmetric stretch, 1st overt.C2: 1368nm - H15O7+, 1st overt.C6: 1420nm - aquesous proton, 3rd overt.C8: 1454nm - H2O - 2*n2+n3C12: 1506nm - aqueous proton [H+·(H2O)6] -H2O in H5O2+ asymmetric stretch, 1st overt.1532nm - 1st overtone IHB stretch (OH-(H2O)4)1543nm - HOH intermolecular bend dangling, 3rd overt.
Discriminating Power Plot
Water Conference 2015
DNA Dilutions
Objective
1) Estimating DNA density using the NIR spectrophotometer
2) Comparing the results between the conventional way and NIR
Materials
DNA
1) pUC18・・・Dilution Level: 10-1, 10-2, 10-3, 10-4, 10-5
2) Lambda・・・Dilution Level: 1/2, 1/5, 10-1, 1/50, 10-2, 10-3
mQ water was used for dilution.
The conventional ways of measuring DNA density
・Spectroscope using 260 nm & 280 nm
・Electrophoresis etc.
However the accuracy is not enough, and the final determination of
DNA density depends on professional experiences.
38
Water Conference 2015
The Conventional Instrument for measuring DNA Density
Device: NanoDrop (ND-1000)
pUC18
Lambda
D2 D3 D4 D5
L5 L50 L100 L1000
Dilution Level Original 10-1
10-2
10-3
10-4
10-5
Density (ng / μL) 28.9 3.0 ND ND 1.4 ND
Theoretical Value 2.89 2.89×10-1
2.89×10-2
2.89×10-3
2.89×10-4
Dilution Level Original 1/2 1/5 10-1 1/50 10
-210
-3
Density (ng / μL) 6 × 102 279.2 111.4 57.1 12.4 5.2 1.6
Theoretical Value 300.0 120.0 60.0 12.0 6.0 0.6
Measurement range: 2-3700 ng/ μL
Sample volume: 1 μL
260 nm and 280 nm wavelengths
260 nm: DNA
280 nm: Protein (contamination)
39
Water Conference 2015
Measurement with NIR spectroscopy
NIR instrument: NIRSystems 6500
Sample: pUC18・・・D2, D3, D4, D5
Wavelength: 400-2500 nm
Consecutive Time: 3 times
Path length: 1 mm
Condition: Room temperature
40
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Raw Spectra(NIRECO, pUC-18)
Wavelength (nm)
Abso
rban
ce (
-)
41
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Different Spectra (-mQWater)(1110-1800 nm, pUC-18)
Wavelength (nm)
Dif
fere
nt
Spec
tra
(-) 1150-1160
1410-1416
D2
D3
D4
D5
1360
1362
1364
1372
1490-1496
42
Water Conference 2015
Different Spectra (-D2)(1110-1800 nm, pUC-18)
Wavelength (nm)
Dif
fere
nt
Spec
tra
(-) D3
D4
D5
1118-1128
C2,1362
C3,1374
C4, 1382
C5, 1416
C6, 1426
C9, 1462
C10, 1472
C12, 1500
43
44
Different Spectra (-Water)(1110-1800 nm, MPA, Lambda)
Wavelength (nm)
Dif
fere
nt
Spec
tra
(-)
L5
L50
L100
L1000
1412
14901153
Detection of UV-induced cyclobutanepyrimidine dimers by near-infrared spectroscopy and aquaphotomics
Noriko Goto, Gyorgy Bazar, Zoltan Kovacs, Makoto Kunisada, Hiroyuki Morita, Seiichiro Kizaki, Hiroshi Sugiyama, Roumiana
Tsenkova*, Chikako Nishigori*
2015/7/2
Scientific reportsVolume
5Publisher
Nature Publishing Group
Water Conference 2015 45
NIRS regression model according to DNA concentration. (A) Y-fit for DNA concentration ofpartial least squares regression (PLSR) with pretreatment by mean centering, smoothing (21 points), OSC
(one component), and active class validation. N = 32, number of applied latent variables = 2, r Cal = 0.9978,SEC = 0.3882, r Val = 0.9860, SECV = 1.5131. (B) Regression vector of the PLSR calibration model for DNA
concentration showing characteristic water peaks at the 1400–1500 nm spectral interval.
Detection of UV-induced cyclobutane pyrimidine dimers by near-infrared spectroscopy and aquaphotomicsN Goto, G Bazar, Z Kovacs, M Kunisada, H Morita… - Scientific reports, 2015
Water Conference 2015 46
NIRS based discrimination of Milli-Q water and cis-syn T<>Ts solutions.SIMCA using 1300-1600 nm interval of NIR spectra with mean-centering and smoothing (45 points). Factor # =2: samples of Milli-Q water and isolated cis-syn T<>Ts solutions form separate groups (ratio of correctly classified samples = 94.9 %). C) PLS-DA using 1300-1600 nm interval of NIR spectra : 94.9 % of samples were classified correctly in cross-validation. Factor # =1. Detection of UV-induced cyclobutane pyrimidine dimers by near-infrared spectroscopy and aquaphotomics N Goto, G Bazar, Z Kovacs, M Kunisada, H Morita… - Scientific reports, 2015
Water Conference 2015 47
Results of NIRS regression models dependent on the irradiated UVC doses show close correlation between the actually irradiated doses of UVC and the levels determined by the NIRS calibration model when DNA samples irradiated with UVC at doses of 0, 5, 10, 15 and 20 kJ/m2 were measured in 20 μM aqueous solutions. Detection of UV-induced cyclobutane pyrimidine dimers by near-infrared spectroscopy and aquaphotomicsN Goto, G Bazar, Z Kovacs, M Kunisada, H Morita… - Scientific reports, 2015Water Conference 2015 48
Quantitative analysis of isolated cis-synT<>Ts using NIRS and HPLC data showing high correlation between cis-syn T<>Tsconcentrations determined by the NIR calibration model and the laboratory reference values (0.77 μM -3.0 μM) determined by HPLC. A) Y-fit for cis-syn T<>Ts concentration of PLSR with pretreatment of mean centering, smoothing (21 points), OSC (one component) and leave-one-out cross validation: N = 24, number of applied latent variables = 2, r Cal = 0.9993, SEC = 0.0267, r Val = 0.9993, SECV = 0.0308. B) Regression vector of PLSR calibration model on cis-syn T<>Ts concentration revealed characteristic water peaks in 1400 nm-1500 nm spectral interval.
Detection of UV-induced cyclobutane pyrimidine dimers by near-infrared spectroscopy and aquaphotomicsN Goto, G Bazar, Z Kovacs, M Kunisada, H Morita… - Scientific reports, 2015Water Conference 2015 49
Contents
1. Near Infrared Spectroscopy
2. Aquaphotomics: introduction
3. Water Spectral Pattern Reveals :
- UV Induced Changes of DNA
- Bacteria Functionality
Water Conference 2015 50
a) PCA Bi-plot calculated on the reference data (strains growth rates, maximal optical densities, bile MIC and the yield of biomass after three hours stay at pH 1.80 in presence of pepsin (9000 U/ml),
reference data in Table 1); b) MW-PCA analyses using the 1100–1850 nm wavelength interval—Score plot calculated on spectral data (n = 150) at the cultivation time of 11.4–12 h.
Slavchev A, Kovacs Z, Koshiba H, Nagai A, Bázár G, et al. (2015) Monitoring of Water Spectral Pattern Reveals Differences in Probiotics Growth When Used for Rapid Bacteria Selection. PLoS ONE 10(7): e0130698. doi:10.1371/journal.pone.0130698http://127.0.0.1:8081/plosone/article?id=info:doi/10.1371/journal.pone.0130698Water Conference 2015 51
OPLS-DA model built on the spectral data of the 15 strains in the monitoring time between 11.4–12 h (n = 150) using the 1100–1850 nm wavelength interval to classify the probiotic, moderate and non-probiotic groups a) score plot and
b) loadings plots.
Slavchev A, Kovacs Z, Koshiba H, Nagai A, Bázár G, et al. (2015) Monitoring of Water Spectral Pattern Reveals Differences in Probiotics Growth When Used for Rapid Bacteria Selection. PLoS ONE 10(7): e0130698. doi:10.1371/journal.pone.0130698http://127.0.0.1:8081/plosone/article?id=info:doi/10.1371/journal.pone.0130698Water Conference 2015 52
Aquagram on the spectra of culture media of groups of probiotic, moderate and non-probiotic strains
Slavchev A, Kovacs Z, Koshiba H, Nagai A, Bázár G, et al. (2015) Monitoring of Water Spectral Pattern Reveals Differences in Probiotics Growth When Used for Rapid Bacteria Selection. PLoS ONE 10(7): e0130698. doi:10.1371/journal.pone.0130698http://127.0.0.1:8081/plosone/article?id=info:doi/10.1371/journal.pone.0130698
Water Conference 2015 53
Measured wavelength and calculated wavenumbers of the bands found with PCA, SIMCA, OPLS-DA and PLSR methods and their assignment based on the
corresponding references.
Slavchev A, Kovacs Z, Koshiba H, Nagai A, Bázár G, et al. (2015) Monitoring of Water Spectral Pattern Reveals Differences in Probiotics Growth When Used for Rapid Bacteria Selection. PLoS ONE 10(7): e0130698. doi:10.1371/journal.pone.0130698http://127.0.0.1:8081/plosone/article?id=info:doi/10.1371/journal.pone.0130698Water Conference 2015 54
Oxidized cells: in blue
CELLS: Oxidative Stress NIRS Real Time Monitoring
2016/1/3 55
Aquagram of DNA EMS
-0.2
-0.1
0
0.1
0.21344
1364
1372
1382
1398
1410
1438
1444
1464
1474
1492
1518
Sample ES
DNA-HIV-Patient 2
DNA-HIV-104bp 2
DNA-HIV-137bp (1st) 2
DNA-HIV-137bp (2nd) 2
DNA-HIV-194bp 2
DNA-HIV-300bp 1
DNA-E.Coli (1st) 2
DNA-E.Coli (2nd) 2
DNA-Borr 2
Sample ES
Water-DW 1
Water-MilliQ 1
Water-Kobe 1
Wave-HIV-104bp 2
Wave-Borr 1
Wave-DW 1
Spectra data of each sample are divided into two groups depending on
amplitudes of electromagnetic signal (EMS).
1) Higher ES・・・higher or normal EMS,
2) Lower ES・・・lower EMS
In collaboration with the group of Luc Montagnier
57
Prediction of EMS by PLS (None)(All samples)
Higher ESLower ES
•Mean-center•Transform: None•1st, 2nd, and 3rd
•Step 3
Measured EMS (dB / Hz)
Pre
dic
ted E
MS
(dB
/ H
z)
Factor: 20
R: 0.77
SEV: 178 dB / Hz
Sample ES
DNA-HIV-Patient 2
DNA-HIV-104bp 2
DNA-HIV-137bp (1st) 2
DNA-HIV-137bp (2nd) 2
DNA-HIV-194bp 2
DNA-HIV-300bp 1
DNA-E.Coli (1st) 2
DNA-E.Coli (2nd) 2
DNA-Borr 2
Water-DW 1
Water-MilliQ 1
Water-Kobe 1
Wave-HIV-104bp 2
Wave-Borr 1
Wave-DW 1
Cross Check 1
LB 1
All Data-set
58
Discrimination between Higher and Lower ES by SIMCA (Smooth[13])
(DNA samples)
Higher ESLower ES
•Mean-center•Smooth[13]•1st, 2nd, and 3rd
•Step 3
Class distance from Higher ES (-)
Cla
ss d
ista
nce
fro
m L
ow
er E
S (
-)Sample ES
DNA-HIV-Patient 2
DNA-HIV-104bp 2
DNA-HIV-137bp (1st) 2
DNA-HIV-137bp (2nd) 2
DNA-HIV-194bp 2
DNA-HIV-300bp 1
DNA-E.Coli (1st) 2
DNA-E.Coli (2nd) 2
DNA-Borr 2
Water-DW 1
Water-MilliQ 1
Water-Kobe 1
Wave-HIV-104bp 2
Wave-Borr 1
Wave-DW 1
Cross Check 1
LB 1
Interclass Distance: 0.8452
59
Discrimination between Higher and Lower ES by SIMCA (Smooth[13])
(DNA samples)
•Mean-center•Smooth[13]•1st, 2nd, and 3rd
•Step 3
Wavelength (nm)
Dis
crim
inat
ing
Po
wer
(-)
Sample ES
DNA-HIV-Patient 2
DNA-HIV-104bp 2
DNA-HIV-137bp (1st) 2
DNA-HIV-137bp (2nd) 2
DNA-HIV-194bp 2
DNA-HIV-300bp 1
DNA-E.Coli (1st) 2
DNA-E.Coli (2nd) 2
DNA-Borr 2
Water-DW 1
Water-MilliQ 1
Water-Kobe 1
Wave-HIV-104bp 2
Wave-Borr 1
Wave-DW 1
Cross Check 1
LB 1
Discriminating Power
770
934
8246801016
1842
1888
15261402
13761380
13421352
Water Conference 2015 60
Nafion consecutive spectra: first spectrum subtracted
5
4
3
2
1414nm
1510-1530nm
Water Conference 2015 61
www.aquaphotomics.comWater Conference 2015 62
水の音
光の遊び
生きている
Water Conference 2015 63
Water Conference 2015 64