aquaphotomics: water spectral pattern reveals uv induced … · 2019. 4. 3. · aquaphotomics:...

Aquaphotomics: Water Spectral Pattern Reveals UV

Induced Changes of DNA and Identifies Bacteria Functionality

Roumiana TsenkovaKobe University, Japan

[email protected]

Water Conference 2015 1

水と

光Roumiana Tsenkova

Kobe University, Japan

[email protected]

Wa

ter an

d Lig

ht


Contents

1. Near Infrared Spectroscopy

2. Aquaphotomics: introduction

3. Water Spectral Pattern Reveals :

- UV Induced Changes of DNA

- Bacteria Functionality


Contents







Functional NIRS, fNIRS: Probing Brain with Light

Photon Migration in TissueSource

Detector

Metabolic coupling during activation

Hemodynamic response

Neuronal-vascular coupling

Pulse oximetry


Near infrared light


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


Bio Fluid Analysis in Test Tubes


PORTABLE

INSTRUMENTS and

FIBER PROBES

FOR TISSUE MEASUREMENTS

BIO MONITORING AND

BIO DIAGNOSIS


“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



400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98

Wavelength

range (nm)Factor



400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98

Wavelength

range (nm)Factor



400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98

Wavelength

range (nm)Factor



400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98

Wavelength

range (nm)Factor



400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98

Wavelength

range (nm)Factor



400-2500 11 0.98 0.41 0.87 1.12 0.96 0.98

Wavelength

range (nm)Factor



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


Wavelengths, nm

Ａｂｓｏｒｂａｎｃｅ


WATER DYNAMIC SPECTRA2D and 3D Synchronous Correlation Maps

represent positive correlation

represent negative correlation


WATER DYNAMIC SPECTRAPower Spectra at 1530nm


NIR rangeovertone region

IR rangefundamental

frequencies

WATER SPECTRUM


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)


Contents







Aquaphotomics concept

Water as molecular mirror


AQUAPHOTOMICSAqua - : water

Photo - : light

Omics - : all about,

complement of something


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.


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


AQUAPHOTOME

is the entire complements of

water matrix coodinates

found under

various perturbations


Water Matrix Coordinates:

Water absorbance bands corresponding to pools of water

molecules with the same vibration frequency

WAMACS


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 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 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


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 NANOSTRUCTURE


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



1414nm

1386nm

1409nm

1462nm

1446nm

Plants 2D spectra1379 – 1382nm

1462 – 1464nm

1344nmDNA solutions

2D spectra

Nafion in water

Contents







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


http://scholar.google.com/scholar?oi=bibs&cluster=10506279084791421370&btnI=1&hl=en

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.


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


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


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


Raw Spectra(NIRECO, pUC-18)

Wavelength (nm)

Abso

rban

ce (

-)

41


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


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



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



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



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







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

http://127.0.0.1:8081/plosone/article?id=info:doi/10.1371/journal.pone.0130698

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.



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



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.



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-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-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-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


Nafion consecutive spectra: first spectrum subtracted

5

4

3

2

1414nm

1510-1530nm

www.aquaphotomics.comWater Conference 2015 62

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光の遊び

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