miguel valcÁrcel university of córdoba 2015 dac-euchems award

ANALYTICAL CHEMISTRY?

MIGUEL VALCÁRCELUniversity of Córdoba

2015DAC-EuCheMSAward

Prof. Elena DomínguezChairwoman

Jury of 2015DAC-EuCheMS Award

Prof. Reiner Salzer Prof. Wolfgang Lindner

Prof. Jonas Bergquist Prof. Jüergen Popp

Division of Analytical Chemistry of the

European Associationfor Chemical and

Molecular Sciences

Prof. Paul WorsfoldChairman of:

T H A N K

Y O U !Spanish Society

of AnalyticalChemistry

REPRESENT MY PERSONAL VIEW OFANALYTICAL CHEMISTRY AFTER 45 YEARSOF DEDICATION AND COMMITMENT

ARE BY NO MEANS INTENDED TO UNILATERALLYESTABLISH THE FUTURE OF ANALYTICAL CHEMISTRY

ARE FULLY OPEN TO ADAPTION ANDCHANGE FOR ENRICHMENT AND SHARINGBY THE ANALYTICAL COMMUNITY

THE CONTENTS OF THIS LECTURE (1)

DISAGREMENTCAN BE THE SOURCEOF CLARIFICATION, CONSENSUS AND

IMPROVEMENT


GO BEYOND

ARE MORE GENERAL (basic, philosophical) THAN SPECIFIC

MAY BE UNCOMFORTABLE FOR SOME OF US TO ACCEPT

THE CONTENTS OF THIS LECTURE (2) A simple “trends approach” The contents of 3 books and 30 papers on this topic I have published to date

RELY ON THE DEFINITION OF THE WORD “PARADIGM” (pattern, example) BY OED and WEBSTER’s Dictionaries


I N D E XINTRODUCTION1

WRONG APPROACHES TO ANALYTICAL CHEMISTRY2

DEFINITION3

(ALMOST) OBSOLETE PARADIGMS4

NEW PARADIGMS5

FINAL REMARKS6

General

Specific


INTRODUCTION1WRONG APPROACHES TO ANALYTICAL CHEMISTRY2

DEFINITION3


NEW PARADIGMS5

FINAL REMARKS6


I N T R O D U C T I O N

FEEDING

HYGIENE

TRANSPORT

SPORTS

DRESSING

CULTURENEW

TECHNOLOGIES

HEALTH

SUSTAINABLE

DEVELOPMENT

BUILDING

HOME

CHEMISTRY

Need to use reliable

(bio)chemical information


ARE SOCIAL, HEALTHCARE, ECONOMIC AND INDUSTRIAL ADVANCES POSSIBLE

WITHOUT RELIABLE (BIO)CHEMICAL INFORMATION TO MAKE GROUNDED,

TIMELY DECISIONS?

NO !


ANALYTICAL CHEMISTRY AS A CHEMICAL DISCIPLINE (1)

SYNTHESIS

ANALYSIS

THEORY

ANALYSIS IS AN ESSENTIAL COMPONENT OF CHEMISTRY

LYING AT A CORNER OF THE BASIC TRIANGLE OF

CHEMISTRY

THE SIDES OF WHICH REPRESENT FRUITFUL

RELATIONSHIPS AMONG THE THREE CORNERS

C



APPLICATIONS

ANALYSIS CANNOT BE INCLUDED AMONG THE

APLICATIONS OF CHEMISTRY

IN FACT, THE TWO ARE CLEARLY DIFFERENT

SYNTHESIS

ANALYSIS

THEORYC

IN FACT, THIS TETRAHEDRON WOULD SHRINK TO VIRTUALLY A SINGLE POINT IF THE WATER-TIGHT COMPARTMENTS AMONG THE COMPONENTS OF CHEMISTRY WERE REDUCED TO A LARGE ENOUGH EXTENT



CHEMISTRYAT THE

INTERFACE

C

OTHER SCIENTIFICAND TECHNICAL

AREAS

APPLICATIONS

SYNTHESIS

ANALYSIS

THEORY

INTRODUCTION1

WRONG APPROACHES TO ANALYTICAL CHEMISTRY

2

DEFINITION3


NEW PARADIGMS5

FINAL REMARKS6



ARE THERE DIFFERENT CLASSES(first, second or even third) OF DISCIPLINES IN CHEMISTRY?

NO !BUT, RATHER FREQUENTLY, SOME ARE ATTACHED

MORE IMPORTANCE THAN OTHERS


IS ANALYTICAL CHEMISTRYA SECOND-CLASS DISCIPLINE

OF CHEMISTRY?

NO !BUT IT IS VERY OFTEN ATTACHED

LITTLE IMPORTANCE


RENOWNED DICTIONARIES FAIL TO INCLUDE THE ANALYTICAL FACET IN THEIR DEFINITIONS OF CHEMISTRY

OXFORDENGLISHDICTIONARY

DEFINITION OF “CHEMISTRY”

“That branch of science which deals with the several elemental substances, or forms of matter, of which all bodies are composed, the laws that regulate the combination of these elements in the formation of compound bodies, and the phenomena that accompany their exposure to diverse physical conditions”

WEBSTER’SENGLISHDICTIONARY

1. “A science that deals with the composition, structures, and properties of substances and of the transformations that they undergo”

2. “The composition and chemical properties of a substance (e.g. the chemistry or iron)”

3. “Chemical processes and phenomena (e.g. blood chemistry)”

SCOPE OF «ANALYTICAL CHEMISTRY» journal DEFINED BY THE EDITORS IN A RECENT EDITORIAL (DOI: 10,1021/ acs.analchem5b02231)

WHERE IS THE

INFORMATION COMPONENT?


WHO ARE TO BLAME FOR THE DISTORTED IMAGE OF ANALYTICAL CHEMISTRY?

ANALYTICALCHEMISTS

CHEMISTS FROMOTHER DISCIPLINES

OTHERPROFESSIONALS

1

23


WHO TO BLAME FOR THE DISTORTED IMAGE OF ANALYTICAL CHEMISTRY?

ANALYTICAL CHEMISTS1Many minimize the importance of Analytical Chemistry, perhaps because they have an underlying inferiority complex against other chemists

Few and inadequate efforts to change the image of Analytical Chemistry

Artificial approaches to analytical research

Wrong approaches to teaching Analytical Chemistry in graduate studies. As a result, young chemists have little appreciation of our discipline

Many analytical chemists think including “synthesis” and “chemical mechanisms” in their papers gives their work a “touch of class”


CHEMISTS FROM OTHER DISCIPLINES2Most think Analytical Chemistry is not a key discipline of Chemistry

Some powerful instrumental techniques are associated with other chemical disciplines (e.g. X-ray spectroscopy to Inorganic Chemistry and mass spectrometry to Organic Chemistry)

Probably, they have acquired a wrong picture of Analytical Chemistry from the very beginning owing to poor education in this discipline

Recent example: “Chemistry embraced by all”. Science, 2015, 347, 6227 (pp. 1079)

The financial cake of Chemistry should be shared with analytical chemists given the growing importance of their discipline

Sustained growth of the discipline is making funding for Analytical Chemistry research increasingly difficult to obtain. Meeting the growing demands may require producing a new money box to be filled with increasing amounts

Analytical chemists as competitors



OTHER PROFESSIONALS3

Who minimize the importance of expertise in Analytical Chemistry because all instruments (or analysers) provide data in some form and such data can be acquired and interpreted by technicians without the need for specialist analysts

Who are unaware of• The need to assure that analytical information is

factual• The significance of R&D&I in Analytical Chemistry

to solve information-related (analytical) problems


What is the contribution of the analytical chemist expertise in an interdisciplinary project, in industry or in public bodies?


AN ANALYTICAL CHEMIST IS A (HIGH-LEVEL) TECHNICIAN

W R O N G

SIMPLY DELIVERINGRAW DATA

BEING EXCLUDED FROMCONCLUSION-DRAWING AND

DECISION-MAKING PROCESSES

DEFINITION AND ITSSUPPORTS/MILESTONES/PILLARS

3


INTRODUCTION1


NEW PARADIGMS5

FINAL REMARKS6


D E F I N I T I O N

SCHEMATIC DEFINITION OF ANALYTICAL CHEMISTRY (1)

DISCIPLINE IN CHARGEOF THE THIRD BASIC

COMPONENT OFCHEMISTRY

DISCIPLINE OF(BIO)CHEMICAL

MEASUREMENTSA C

PRODUCTION OF(BIO)CHEMICALINFORMATION

DISCIPLINE

(BIO)CHEMICALMETROLOGYDISCIPLINE

B D

D E F I N I T I O N

SCHEMATIC DEFINITION OF ANALYTICAL CHEMISTRY (2)

ANALYTICAL CHEMISTRY IS:

A metrological discipline that…

develops (R&D), optimizes and applies measurement processes in order to…

obtain quality (bio)chemical information about objects and systems of natural/artificial nature in order to…

fulfill information needs (requirements) and facilitate grounded, timely decisions in scientific technological, economic and social areas.

strengthen analytical capabilities in general

D E F I N I T I O N

WHAT IS THE DISTINCT FEATURE THAT MAKES ANALYTICAL CHEMISTRY AN

INDEPENDENT, FIRST-CLASS DISCIPLINE OF CHEMISTRY?

ANALYTICAL CHEMISTRY ISTHE (BIO)CHEMICAL INFORMATION

DISCIPLINE

THIS STATEMENT HAS BEEN:- MY POLAR STAR, - MY GUIDE,- MY WAY, - THE PRINCIPAL ARGUMENT IN MY DEBATES WITH OTHER PROFESSIONALS

ANALYTICAL

PROCESS

R

&

D

&

I

RESPONSIBILITY

S

O

C

I

A

L

I

N

F

O

R

M

A

T

I

O

N

H

I

E

R

A

R

C

H

Y

R

E

F

E

R

E

N

C

E

S

BASIC

ANALYTICAL

O

B

J

E

C

T

I

V

E

S

A

I

M

S

A

N

D

E

D

U

C

A

T

I

O

N

R

I

G

H

T

D E F I N I T I O N

MILESTONES OF ANALYTICAL CHEMISTRY (1)

ANALYTICAL CHEMISTRYD E F I N I T I O N

SOCIAL RESPONSIBILITY

D E F I N I T I O N

AIMS AND OBJECTIVES (1)


Objectives

A i m s

Metrologicalquality

Solving analyticalproblems

Highaccuracy

Lowuncertainty

Meeting informationrequirements

Contradiction

Magnifying Reducing

More Better

(Bio)chemicalinformation

Contradiction

LessRisks Materials

Costs TimeHuman resources

D E F I N I T I O N

AIMS AND OBJECTIVES (2)


ONE CRUCIAL ASPECT OFANALYTICAL CHEMISTRY

IS THE ESTABLISHMENT OF:

METROLOGY

PROBLEMSOLVING

AIMS

MAGNIFYINGOBJECTIVES

REDUCINGOBJECTIVES

OBJECTIVES

D E F I N I T I O N

BASIC REFERENCES IN ANALYTICAL CHEMISTRY (1)


Tangiblemeasurement

standards

Writtenstandards

(Bio)Chemicalinformationrequired to

make decisions

ANALYTICAL CHEMISTRY

Metrological quality Practical qualityIntegral

analyticalquality

D E F I N I T I O N

DATA – INFORMATION – KNOWLEDGE HIERARCHY


RAWDATA

GENERIC MEANING

DIRECT INFORMATION-RELATED COMPONENTS

OF REALITY

DESCRIPTIONOF REALITY

ASSIMILATION ANDINTERPRETATION

OF REALITY.DECISION-MAKING

(BIO)CHEMICAL CONTEXT

SIGNALS FROM MEASURING

INSTRUMENTS

RESULTS OF(BIO)CHEMICAL

MESAUREMENT PROCESSESEXPRESSED AS REQUIRED

REPORTS THAT CONTEXTUALIZE THE

INFORMATION, JUSTIFYDECISIONS AND

THE FORMULATION OFHYPOTHESES AND

MECHANIMS

INFORMATION

KNOWLEDGE

compilationcalculations

interpretationprocess

creationof a newparadigm breaking

frontiers

IMAGINATION(Einstein)

CRISIS

D E F I N I T I O N

DATA – INFORMATION – KNOWLEDGE HIERARCHY

MILESTONES OF ANALYTICAL CHEMISTRY (6 bis)

ASSIMILATION ANDINTERPRETATIONOF THE REALITY.

DECISION-MAKING

REPORTS THAT CONTEXTUALIZE THE

INFORMATION, JUSTIFYDECISIONS AND THE

FORMULATION OFHYPOTHESES AND

MECHANISMS

KNOWLEDGE

creationof new

paradigms

breakingtraditionalfrontiers

IMAGINATION(Einstein)

CRISIS

D E F I N I T I O N

ANALYTICAL CHEMISTRY AT THE INTERFACE (1)


MAT

HEM

ATIC

S

PHYS

ICS

BIO

LOG

Y

ENG

INEE

RIN

G

OTH

ERS

EXTERNAL INTERFACES

ANALYTICALCHEMISTRY

INTERNAL INTERFACES

PhysicalChemistry

OrganicChemistry

InorganicChemistry

ChemicalEngineering

AppliedChemistry

D E F I N I T I O N

ANALYTICAL CHEMISTRY AT THE INTERFACE (2)


ANALYTICALCHEMISTRY

ISO 17025:2005

ISO 26000:2010

OHSAS18001:2007

UNE-ISO 14001:2004

ISO9001:2008

D E F I N I T I O NMILESTONES OF ANALYTICAL CHEMISTRY (9)

SEQUENTIAL APPROACHES TO R&D IN ANALYTICAL CHEMISTRY

TYPES

STEPS

R&D INANALYTICALCHEMISTRY

OBJECTIVES

TOOLS- Instruments- Devices- Reagents

BASICAPPROACHES

STRATEGIES

INCREMENT OFCAPABILITIES

OF ANALYTICALCHEMISTRY

BASIC RESEARCH APPLIED RESEARCHFirst step Second step

1 23

(BIO)CHEMICAL INFORMATIONAND KNOWLEDGEMETHODS

SATISFACTION OFINFORMATION REQUIREMENTS

SOLVING ANALYTICAL PROBLEMS

D E F I N I T I O N

BRIDGING THE GAP BETWEEN ANALYTICAL R&D “PRODUCTS”AND THEIR USE IN PRACTICE


PRODUCERS OFANALYTICAL

TOOLS

ROUTINE LABORATORYPROVIDING

(BIO)CHEMICALINFORMATION

CLIENTSREQUESTINGANALYTICAL

INFORMATION

R&D&IANALYTICALCHEMISTRYCENTERS

Instruments …Reagents …Extractiondevices …Others

TRANSFER OF ANALYTICAL KNOWLEDGE AND TECHNOLOGY

D E F I N I T I O N

SOCIAL RESPONSIBILITY OF ANALYTICAL CHEMISTRY


“The impact on society at large and on health, industry, agrifood, the environment, etc., of the (bio)chemical knowledge derived from the analysis of objects and systems, whether natural or artificial”

Basicrequirements

of the (bio)chemicalknowledge

Reliable andsustainableproduction

Consistencywith reality

Raising nofalse expectations

Raising nofalse alarms

SOCIAL RESPONSIBILITY OFANALYTICAL CHEMISTRY RELIES ON

SRACCONNOTATIONS

Internal

External

D E F I N I T I O N


BETTER ORIENTED TEACHING OF ANALYTICAL CHEMISTRY (1)

THE IMAGE OF ANALYTICAL CHEMISTRY STRONGLY DEPENDS ON THE FIRST CONTACT OF GRADUATE STUDENTS WITH THIS DISCIPLINE

ANALYTICAL CHEMISTRY CANNOT BE EXCLUSIVELY ASSOCIATED WITH “CALCULATIONS”, “IONIC EQUILIBRIA”, “TITRATIONS”, “GRAVIMETRY”, “INSTRUMENTAL TECHNIQUES” WHILE ITS ACTUAL FOUNDATIONS OVERLOOKED

ANALYTICAL CHEMISTRY SHOULD BE ASSOCIATED FROM THE VERY BEGINNING WITH ITS - TRUE PRINCIPLES AND FOUNDATIONS,- PECULIARITIES, - AIMS/OBJECTIVES, - ROLE IN THE CONTEXT OF CHEMISTRY AND OTHER SCIENTIFIC

DISCIPLINES

D E F I N I T I O N


BETTER ORIENTED TEACHING OF ANALYTICAL CHEMISTRY (2)

MY PERSONAL PROPOSALS TO TEACH ANALYTICAL CHEMISTRY ARE AS FOLLOWS:a) A bottom-up approach to teaching Analytical Chemistry: from its foundations to

the description of methods and classical/instrumental techniques

b) A hierarchical approach to teaching analytical properties with emphasis on their complementary and contradictory relationships

c) To devote at the very beginning a chapter dealing with standards which are substantial to a measurement discipline

d) General rules to solve analytical (informative) problems using case studies

e) Introducing “Metrology in Chemistry” as a topic to be taught in the Analytical Chemistry curriculum

f) Establishing the framework for teaching “Social Responsibility in Analytical Sciences”

The obvious teaching innovations are based on the use of new technologies, but the most salient innovations are related to the principles of this discipline.

(ALMOST) OBSOLETEPARADIGMS

4


INTRODUCTION1

NEW PARADIGMS5

FINAL REMARKS6

DEFINITION3


(ALMOST) OBSOLETE PARADIGMS (1)

Analytical Chemistry is a discipline that uses instruments to develop methods and finishes with data acquisition.

Little attention has been given to the contradictions between aims and between objectives.

Analytical Chemistry starts at the laboratory door and finishes at the printer/plotter.

The crucial reference of Analytical Chemistry, which is (bio)chemical information requirements, is often ignored.

Dealing with analytical properties in isolation.

Considering only a few types of (bio)chemical information.


Maximizing selectivity.

Emphasis on lowering detection/determination limits as far as possible.

Emphasizing negative connotations in reports (e.g. uncertainty intervals instead of confidence intervals in quantitative analyses or referring to false positives and negatives instead of delivering the proportion of correct responses in qualitative analyses).

The fact that threshold limits set by legislation or clients are rarely accompanied by the accepted level of uncertainty makes it difficult to make correct decisions.

Minimizing uncertainty.

Not always is the Olympic slogan “CITIUS,

ALTIUS, FORTIUS” applicable in Analytical

Chemistry.


R&D in Analytical Chemistry is mainly oriented to:

Little tradition in transferring analytical knowledge and technology to social and economic contexts.

Publishing papers in journals with as a high an impact factor as possible as the main driving force.

As in music, the production of slight variations on some well-known theme such as Ravel’s bolero.

Little permeability with trends in Science and Technology.

Finding applications for each new method after its development, mainly by using “easy” samples such as tap water.

The essentials of Analytical Chemistry are diluted or lost.

NEW PARADIGMS5


INTRODUCTION1

FINAL REMARKS6

DEFINITION3



N E W P A R A D I G M S

G E N E R A L

OVERALL APPROACHES

S P E C I F I C

PARTICULAR APPROACHES

S T R A T E G I E S

NEWPARADIGMATICAPPROACHES

TO ANALYTICALCHEMISTRY


G E N E R A LParadigms relating to the overall orientation of present and future of Analytical Chemistry

ANALYTICAL CHEMISTRY

AS THE(BIO)CHEMICALINFORMATION

DISCIPLINE AT THEINTERFACESWITH OTHER

SCIENTIFICAND TECHNICAL

AREAS

INDEPENDENT,EFFICIENT

R&D&I

TRANSFER OFKNOWLEDGE

ANDTECHNOLOGY


S P E C I F I C (1)Particular paradigms derived from the general paradigms

AS THE (BIO)CHEMICALINFORMATION DISCIPLINE

AT THE INTERFACESWITH OTHER SCIENTIFICAND TECHNICAL AREASANALYTICAL

CHEMISTRY

REQUIRED(BIO)CHEMICALINFORMATION

AS THIRD BASICREFERENCE

IN ANALYTICALCHEMISTRY

IT DELIVERSINFORMATION

AND KNOWLEDGE(NOT ONLY DATA)

QUALITYCOMPROMISES:CONTRADICTION

BETWEENAIMS AND

OBJECTIVES

POSITIVEAPPROACHESIN REPORTS

MANY TYPES OF(BIO)CHEMICALINFORMATION

CORRECTTEACHING OFANALYTICALCHEMISTRY

COOPERATIONWITH OTHERDISCIPLINES

OF CHEMISTRY

BREAKING THETRADITIONAL

FRONTIERS OFKNOWLEDGE

COOPERATIONWITH OTHER

SCIENTIFIC ANDTECHNICALDISCIPLINES


S P E C I F I C (2)Particular paradigms derived from the general paradigms

INDEPENDENT, EFFICIENTRESEARCH

TRANSFER OF KNOWLEDGEAND TECHNOLOGY

ANALYTICALCHEMISTRY

ANALYTICALINFORMATIONPROBLEMS ASMAIN ENGINESTO PROMOTEINNOVATION

FULL PERMEABILITYWITH TRENDS IN

SCIENCE ANDTECHNOLOGY

TAKING INTOACCOUNT THETHIRD BASICREFERENCE

BY AVOIDINGTO BE JUST

A SOURE OF DATAIN COLLABORATIVE

RESEARCHPROJECTS

TRANSFER OFKNOWLEDGE TO:

- CLIENTS- ROUTINE LABORATORIES

INCREMENT OFTHE TRADITIONAL

TO TRANSFERANALYTICAL

KNOWLEDGE ANDTECHNOLOGY

TRANSFER OFTECHNOLOGY TO

THE PRODUCERS OFANALYTICAL TOOLS

FINAL REMARKS6


INTRODUCTION1

NEW PARADIGMS5

DEFINITION3



F I N A L R E M A R K S

THIS LECTURE IS BY NO MEANSINTENDED TO DELIVER A CATASTROPHIST VIEW

OF OUR DISCIPLINE

ITS STYLEIS SOMEWHATPROVOCATIVE

Sorry for that !!!

RATHER, IT ISINTENDED TO STIMULATE

THE DEEP CHANGESNEEDED TO EFFECTIVELY

SUPPORT TODAY’SAND TOMORROW’S

ANALYTICALCHEMISTRY

NEWTON’SCRADLE


NEWTON’S CRADLE

QUO VADIS ANALYTICAL CHEMISTRY ?

STI

MU

LUS

INC

EN

TIV

E

TO GIVEOUR

DISCIPLINEDUE

CREDIT

TOMAKE USPROUD

OFA.C.

TOCHALLENGE

YOUNGANALYTICALCHEMISTS

CLOSED

INDIFFERENT

OPEN


STRONG WINDS OF CHANGE INANALYTICAL CHEMISTRY ARE

BEING CREATED BY DIFFERENCES INATMOSPHERIC PRESSURE

BETWEEN ZONES OF HIGH PRESSURE(RIGHT FUTURE VISION) TO ZONES

OF LOW PRESSURE (OLD-FASHIONED,WRONG VISIONS) IN AN ATTEMPT

TO EQUALIZE PRESSURES

Three attitudes


LET IT BE BLOWIN’ IN THE WIND

The Beatles

Let it be,let it be.There will be an answer.Let it be.

Bob Dylan

The answer, my friend,is blowing in the wind.The answer is blowingin the wind

INDIFFERENT

The worstapproach

Keeping the classical approach Looking for a new futureCLOSED OPEN


In summary, what I am proposing is to adopt an open attitude in support of a (new)

Analytical Chemistry true to the words of my long-admired Bob

Dylan’s song


QUO VADIS,ANALYTICAL CHEMISTRY?

Miguel ValcárcelUniversity of Córdoba


The contents of this lecture is fully open for discussion, amendments, etc.

You can contact me by e-mail: [email protected]

NOBODY IS IN POSSESSION OF THE WHOLE TRUTH ABOUT ANYTHING


MIGUEL VALCÁRCELUniversity of Córdoba

2015DAC-EuCheMSAward

THANK YOU

VERY MUCH FOR

YOUR ATTENTION

miguel valcÁrcel university of córdoba 2015 dac-euchems award

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