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Analytical Chemistry Division (V)
Teamwork
- Issue No. 10 - July
2005 -
This
issue of 'Teamwork' includes:
General
Assembly in Beijing: Workshop on "Future Opportunities and
Challenges for the Analytical Chemistry Division"
During the
GA in 2003 in Ottawa our Division initiated a series of workshops
aimed at alerting the Division to issues that should be addressed
and to stimulate the project development process. In Ottawa we held
a meeting on New Challenges for Analytical Chemists in Genomics,
Proteomics, and Genetically Modified Organisms and a year later,
in Vienna, we held a meeting on Emerging Issues in Metrological
Traceability.
The Beijing
workshop will be held on a much broader canvas and with an "in
house" format. Several members of the Division (or associated
with the Division) are going to make forward-looking presentations
on their specific field or area of responsibility within the Division.
The objectives will be to:
(i)
identify important trends and new developments in the respective
fields of analytical chemistry,
(ii)
identify any Division priorities for the future,
(iii)
stimulate forward and lateral thinking,
(iv)
clarify the philosophy of the ACD in relation to Project type and
generation.
The Workshop
may also seed discussions about specific project ideas and stimulate
discussions on the formation of Task Groups and the scoping of projects,
but probably these would be follow-on activities. The emphasis will
be on "emerging issues". There is no wish to have an analysis
of the maturity of a specific field.
The presentations
(10 minutes each followed by a 10-min. discussion) are going to
include:
-
Emerging issues in separations science applied to analytical chemistry,
presented by Roger Smith, discussion led by Jan Åke Jönsson
-
Challenges for analytical atomic spectrometry", presented by
Walter Lund, discussion led by Ryszard Lobinski
- Molecular spectroscopy - emerging opportunities for the analytical
chemist, presented by David Moore, discussion led by Ryszard
Lobinski
- Critical evaluations: future challenges and opportunities, presented
by Heinz Gamsjaeger, discussion led by David Shaw
- Emerging issues in bioanalytical chemistry, presented by Ryszard
Lobinski, discussion led by Walter Lund
- Metrology and quality assurance: challenges for the analytical
chemist, presented by Ales Fajgelj, discussion led by Brynn Hibbert
- Emerging needs of developing countries, presented by Nelson
Torto, discussion led by Jan Åke Jönsson
- Challenges for nuclear methods in radioanalytical (and radiopharmaceutical)
chemistry, presented by Mauro Bonardi, discussion led by Zhifang
Chai
The workshop
will be held on Saturday, August 13rd the morning and is
open to all GA delegates interested. We invite and encouraged members
of other Divisions to participate. This is an excellent opportunity
to think about new interdivisional projects!
>
Link
to GA info
New
projects of the Analytical Chemistry Division
- Comparable
pH Measurements by Metrological Traceability
This
is a joint project of our Division, Physical and Biophysical Chemistry
Division (I), and Chemistry and the Environment Division (VI), with
support of the Committee on Chemistry and Industry. The project
is planned for three years and will be carried out in two parts
pertaining to pH measurements in complex matrices:
Part
I: pH Measurements in water quality monitoring and assessment
Part
II: pH Measurements of clinical, biochemical, and environmental
relevance
The project
is considered as a follow-up of "The Measurement of pH. Definitions,
Standards, and Procedures (IUPAC Recommendations 2002)," Pure
Appl. Chem. 74, 2169-2200 (2002) and responds to a number
of issues raised during a workshop on the "Importance of Traceable
pH Measurements in Science and Technology" held at PTB/Braunschweig,
Germany, in September 2001. The workshop, which was organized and
promoted by members of this project's task group, attracted a wide
range of participants and revealed priorities and strong interest
from the concerned community for continuing action. They were:
-
implementation of traceability chains for pH values in routine measurements
in order to achieve target uncertainties for specific applications
-
development of educational and quality control tools for reference
and testing laboratories under the observation of chemical and metrological
principles
- improvement
of the comparability and the assessment of pH values
The task group,
which consists of worldwide experts in the field, aims to impact
the scientific community due to both the relevance of the subject
and the multiple scientific aspects involved in pH measurement and
assessment. For more information contact the Task Group Chairman
Maria Filomena Camões: [email protected].
>
link to project
2004-005-2-500
- Guidelines
for Potentiometric Measurements in Suspensions
This project aims to define and interpret the suspension
effect on the basis of recent experiments. It will take into account
the enormous amount of theoretical and experimental work accomplished
in 75 years since the term was first introduced-a period in which
no consensus was achieved. On the basis of the recommended definition
and interpretation, the significance of potentiometric measurements
in suspensions performed in different ways will be explained.
The suspension
effect relates to the difference of the galvanic cell voltage measured
with the electrodes (i) in the equilibrium solution of the suspension
and (ii) in its sediment. It will be argued that the suspension
effect should be regarded as the sum of two effects that occur when
the electrodes are immersed in a suspension. These are (i) the transition
of the indicator electrode from a reversible potential to an irreversible
mixed potential, and (ii) a systematic error of measurement caused
by the outflow of the solution from the reference electrode salt
bridge into the suspension.
Due to the
irreversible mixed potential of the indicator electrode, which cannot
be eliminated in suspension measurements, no thermodynamically exact
data can be obtained. Guidelines will be presented for potentiometric
methods applied to suspensions and the significance of these measurements
will be interpreted and illustrated.
For more information
and comments, contact the Task Group Chairman Srecko F. Oman: [email protected].
>
link to project
2004-016-2-500
- Uncertainty
Estimation and Figures of Merit for Multivariate Calibration
With the ever-increasing sophistication of analytical instruments,
multivariate calibration methods are continually evolving, each
with its own underlying assumptions and statistical properties.
The main purpose of these methods is to produce valid predictions
from highly unselective data (e.g., the quantification from near-infrared
spectra). A wide variety of multivariate methods have been developed,
broadly classified in terms of the tensorial order of the instrumental
data. Important conceptual differences exist between first-order
methods employing vector data, and second-order methods using matrix
data, particularly since the latter make possible the quantification
in the presence of unknown interferents. This is also reflected
in the approaches followed for the estimation of figures of merit.
While univariate
calibration leads to relatively simple models, and the associated
uncertainty estimation and figures of merit are thoroughly covered
in several official documents, multivariate calibration does not
enjoy a similar status in this regard. Uncertainty estimation and
figures of merit for multivariate calibration methods have become
subjects of active research, especially in the field of chemometrics.
This work is
intended as an introduction to multivariate calibration from a chemometrics
perspective and as a review of the various proposals to generalizing
the well-established univariate methodology to the multivariate
domain.
Uncertainty
and figures of merit are subjects of interest to IUPAC's Analytical
Chemistry Division, as established within the general aims of the
Division, and also in the terms of reference of its Interdivisional
Working Party on Harmonization of Quality Assurance.
For more information and comments contact the Task Group Chairman
Alejandro C. Olivieri: [email protected].
IUPAC
Vice President on the ACD move to the project system
Prof. Bryan
R. Henry, IUPAC Vice-President has recently published a Critical
Assessment report on the efficiency of handling the move to
the project system. Here are the excerpts concerning our Division:
Analytical
Chemistry Division (V): The Analytical Chemistry Division has
handled the move to the project system very efficiently. The Division
Committee takes on the responsibility for generating projects,
and the Division President serves as the project coordinator.
In generating projects, they use young observers, both as a source
of projects, and in an attempt to introduce new blood. They also
use conferences and the corresponding IUPAC representatives in
generating projects. They hold workshops at their Division meeting
and at the General Assembly, and one goal of such workshops is
project generation.
They have
procedures for active guidance in bringing a project to a stage
where it can compete for funding. This nurturing process clearly
benefits the quality of the resultant projects. An example
proposal is posted online, and they make extensive use of
Chemistry International
(CI) to advertise existing projects. In fact, communication
within this Division is very good. They publish a Divisional
newsletter. A project reporting form is required every six
months. This monitoring system works very well. The officers carry
out an in-depth review of all projects at their officers meeting,
which precedes the Divisional meeting. Projects are also reviewed
at the Divisional meeting. For most projects, one Task Group meeting
is adequate. Under the project system, the average duration to
carry out a given scientific investigation has decreased. They
find ICTNS to be
very helpful, particularly with regard to Gold Book entries. They
believe that interdivisional cooperation is working well. An important
issue for the Division is that IUPAC maintains access to the computer
capability to maintain their project-generated databases such
as the Stability
Constants Database. The Division believes that the project
system is more flexible, and they have no desire to return to
commissions.
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