9. international ekoteks textile symposium symposium …

Solving Problems with New Methods

9.International Ekoteks Textile

Symposium

amslabSolving Problems with New Methods

Dr. Manuel Lolo

CEO AMSlab

9. International Ekoteks Textile Symposium



Symposium

Laboratory/Collection centerCollection center

• Chemical laboratory

• Molecular Biology laboratory

Mass Spectrometry

Genetic Analysis

AMSlab in short



SymposiumSolving Problems with New Methods

• New advances in chemical and biological analysis .

• New services using new methods:

1. CTS (Cosmetic Target Screening): How to control

thousand of chemicals

2. Fiber Identification: The use of proteomic analysis in

physical Department

3. Colorant Identification: batch differentiation.



SymposiumNEW MANUFACTURING MODELS

JustIn

Time

New needs in terms of quality control:

• Low TAT High Throughput Analysis

• Zero failures Corfirmatory methodologies, automatization

• Low costmulticompounds methodologies



SymposiumNew advances in chemical and bioanalysis

• Sensitivity (ppmppbppt)

• Faster (Dayhourmin)

• Throughput

• Parameters (hundreds of compounds)

Cheaper, Confirmatory & Faster Strategic



Symposium

amslabCTS (Cosmetic Target Screening): How to control thousands of

chemicals



SymposiumCTS (Cosmetic Target Screening)

UE 1223/2009 1500 Compounds

World wide 3000 Compounds

GLP Manufacturing

Retailer Control

•GMP

•Must be analizedRAW materials

•Tubes

•…Contaminationduring process

•Plastics

•Rubber parts

•…

Packaging

GMP Process

Legislation



SymposiumRequirements

Cosmetic

To perfum

To clean

Changeappearance

To protect

To keep in good

condition

To correctbody odours

The Challenge

3000 Substances must be controlled

Cosmetic Products:

The Goal

Collaboration:



SymposiumCosmetic Target Screening

CTS

Metals& Non Metals

Small Molecules

Polar & large

Molecules



SymposiumCTS Method

+60 Compounds

Pesticides

Allergenic compounds

Nitromusks

Polycyclic musks

Phthalates

Metals Nonmetals

Metaloids

20 Substances



SymposiumCTS Method



Symposium

- EXAMPLE OF SCREENING IDENTIFICATION- Vinclozolin (CAS num 50471-44-8)- Pesticide

CTS Library

- EXAMPLE OF SCREENING IDENTIFICATION- Butylphenyl methylpropional , Lilial (CAS

num 80-54-6)- Allergenic compound



Symposium

- EXAMPLE OF SCREENING IDENTIFICATION

- Benzylbutyl phthalate (CAS num 85-68-7)- Phthalate

CTS Library

- EXAMPLE OF SCREENING IDENTIFICATION

- Tonalide (CAS num 21145-77-7)- Polycyclic musk



SymposiumCTS Library



Symposium

amslabProteomic & Genetic Methods

in Fiber Identification



SymposiumUSING BIOMOLECULES IN TEXTILE ANALYSIS

DNA

DNA is specific in terms of species and individuals



SymposiumProtein

DNA Protein

DNA is specific for each organism

PROTEIN is specific for each organism

– TEXTILE: STRUCTURAL PROTEINS



Symposium

DNA ANALYSIS

VEGETAL FIBER IDENTIFICATION USING DNA ANALYSIS

Ramie, Linen, Cotton using Genetic Identification

TEXTILE

RAMIE COTTON

COTTON LINEN



Symposium

MVAMLAASQIADGAITCGRVASGIAPCLGYIRGMAPLTPACCGGIKSLNAAASSTVDRQAACRCLKSAASGVRGINYGLAGGLPGKCGVNVGFPISQSVNCAT

HVTHETGSMCYIEEINKAEYCDRSRYPCAQGKRYYGRGPLQLTWNYNYQEAGKANGFDGVANPDIVARDPVLAWRTALWFWMTNVRAVLPQGFGATIRAI

MLSHSSLALFSLLLLLCSSSSLWVSPVTATVTYDGKAIIVNGQRRILIAGSIHYPRSTPEMWPDLIQKAKDGGLDVIQTYVFWNGHEPSPGNYYFEDRFDLVKFVKVVQQAGLYVNLRIGPYACAEWNFGGFPVWLKYVPGMSFRTDNEPFKAAMQKFTEKIVNMMKQEQLFEPQGGPIILSQIENEYGPIEWELKAPGKAYAQWAAQMAVGLNTGVPWIACKQEDAPDPLIDTCNAYYCEKFTPNKSYKPKMWTEAWTAWFTSWGNPVLYRPAEDQAFSVLKFIQSGGSYANYYMYHGGTNFGRTAGPFVATSYDYDAPLDEYGLTNDPKYTHLKHMHKAIKQSEKALVSADATVTSLGTNQEAHVYSSSSGCAAFLANYDVSYSVKVNFGSGQYDLPAWSISILPDCKTEVYNTAKVLAPRVHKKMTPLGGFTWDSYIDEVASGFASDTTTEDGLWEQLYMTKDSSDYLWYMQDVKIGSDEAFLTNGKDPFLNVQSAGHFLNVFVNGKLIGSAYGSNDNPKLTFSQSVKLNVGVNKIALLSASVGLANVGLHFENYNVGVLGPVTLTGLNQGTVDMTKWKWSYKVGVQGEKLQLNTVAGSSSVEWVKGSMLAKKQPLTWYKSTFNAPEGNDPVALDMISMGKGQIWINGQGIGRYWPAYTAQGNCGGCSYGGYFTEKKCLTGCGQPTQRWYHVPRSWLKPTGNLLVVFEEWGGDPTGISMVKRTLPGM

tr|R9ULR6|R9ULR6_LINUS: Non-specific lipid-transfer protein OS=Linum usitatissimum

tr|Q3HUM0|Q3HUM0_LINUS: Chitinase IV (Fragment) OS=Linum usitatissimum

tr|F6LC68|F6LC68_LINUS:Beta-galactosidase OS=Linum usitatissimum

Linen/Ramie Identification using proteindetermination

3 Peptide Markers to identify Linen:

- VASGIAPCLGYIR- AVLPQGFGATIR- STPEMWPDLIQK

REAL SAMPLE



SymposiumAnimal fiber identification(Wool/Cashmere)

81.5% VISCOSE

12.5% POLYAMIDE

6.0% CASHMERE

Fabric before production

Microphotography of final product

Different criteria: cashmere/wool reported



SymposiumProtein determination

Comparison of the chromatograms obtained from wool, cashmere and sample.



Symposium

amslabColorant identification



Symposium

Batch Differentiation



SymposiumPCA

1.0e7 1.5e7 2.0e7 2.5e7 3.0e7 3.5e7 4.0e7 4.5e7 5.0e7 5.5e7 6.0e7 6.5e7

PC1 Score

-4.0e6

-2.0e6

0.0e0

2.0e6

4.0e6

6.0e6

8.0e6

1.0e7

1.2e7

1.4e7

1.6e7

1.8e7

2.0e7

2.2e7

2.4e7

PC

2 S

co

re

14-007826-G

14-007826-F

14-007826-A

14-007826-C

14-007826-I

14-007826-B

14-007826-E

14-007826-D

14-007826-H

Scores for PC1 (84.8 %) versus PC2 (14.4 %), No Scaling

A

B

C

D

E

F

G

H

I

PASS

FAIL



SymposiumLibrary searchPCA approach

0.05 0.10 0.15 0.20 0.25 0.30

PC1 Loading

-0.10

-0.05

0.00

0.05

0.10

0.15

0.20

0.25

0.30

0.35

0.40

0.45

0.50

0.55

PC

2 L

oa

din

g338.3/ 17.7 (59796)

357.3/ 13.9 (68483)

371.4/ 8.0 (74408)

282.2/ 14.5 (41548)

319.1/ 8.8 (52075)

339.3/ 17.7 (60323)

339.3/ 13.8 (60328)

707.6/ 13.6 (218571)

591.4/ 15.1 (173734)

635.5/ 14.9 (192671)

403.2/ 11.8 (87684)

547.4/ 15.2 (153357)

525.2/ 14.7 (141839)

482.4/ 11.4 (122131)

526.4/ 11.3 (142612)

708.6/ 13.6 (218915)

570.5/ 11.2 (164202)

354.3/ 13.6 (66746) 354.3/ 13.8 (66733)

614.5/ 11.1 (184239)

533.4/ 16.4 (146279)

355.3/ 13.6 (67377)

534.4/ 16.4 (146763)

377.3/ 11.6 (77210)

Loadings for PC1 (84.8 %) versus PC2 (14.4 %), No Scaling

(Default)

(Isotope)

(Monoisotopic)



SymposiumPCA

14-007826-A 14-007826-B 14-007826-C 14-007826-D 14-007826-E 14-007826-F 14-007826-G 14-007826-H 14-007826-I

Sample (by group)

0.0e0

5.0e6

1.0e7

1.5e7

2.0e7

Re

sp

on

se

14-007826-G

14-007826-F14-007826-C

14-007826-A

14-007826-B 14-007826-I

14-007826-D 14-007826-H14-007826-E

338.3/ 17.7 (59796)

707.6/ 13.6 (218571)

707 m/z

338 m/z

Chemicals are not the same



Symposium

Colorant identification



SymposiumComparison of two samples

• Same Composition 100 % Polyester and density.

• Same colour: Different results



SymposiumApproach

• Comparison study using LC-MSMS

and LC-QqTOF

Detection of different compounds



SymposiumColorant identification

MS spectra high resolution

MSMS spectra high resolution



SymposiumExample 2

1. Extraction of chemicals

2. Colorant identification



SymposiumColorant identification

Acid red 27Molecular weight: 604.5 g/mol

In summary:

• The new strategic of analysis using actual methodologies provide Cheaper,

Confirmatory & Faster methods.

• Cosmetic Target Screening Method provide the possibility to test a huge amount

of compounds with different chemical structures in different matrix.

• The analysis of biomolecules (DNA and Proteins) allow identify and quantify

animal and vegetal fibers.

• The analysis of colorants is not only focus in arylamine detection, it is possible to

identify the molecule and differentiate the dyeing beaches.



SymposiumAMSlab TEAM

Special Thanks R&D Department of AMSlab

Ana Carreira (Chemical Lab)Angeles Expósito, PhD. (Chemical Lab)Soraya Lolo (MB Lab)Jorge García (MB Lab)

Rafael Pérez (Chemical Lab)Javier Quinteiro, PhD (MB Lab)Esteban Ramírez (Manager Physical Lab)Pablo Pérez (Manager Chemical Lab)



Symposium

That’s the End!THANKS FOR LISTENING

APPLIED MASS SPECTROMETRY LABORATORY S.L.

9. international ekoteks textile symposium symposium …

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