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CHEMISTRY
International The News Magazine of IUPAC
January-March 2020
Volume 42 No. 1
Elements of Sport: From IYPT2019 to Tokyo2020
Global Women’s Breakfast
INTERNATIONAL UNION OF
PURE AND APPLIED CHEMISTRY
Chemistry International
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590 Commonwealth Ave.
Boston, MA 02215, USA Cover: In Japan, the 2019 International Year of the Periodic Table of Chemical Elements was a well-
E-mail: edit.ci@iupac.org followed year-long celebration that culminated with the IYPT global closing ceremony in Tokyo on
Phone: +1 617 358 0410 December 5. For the land of the rising sun, which a few years ago was also recognized in element
113, Nh, the celebrations continue this year with the 2020 Summer Olympics. Elements of Sports will
Production: Joshua Gannon showcase how science and also new materials are so important to the event. See feature page 5. Cover
Design: Stuart Wilson illustration by Hayanon Science Manga Studio.
Printed by: Sheridan Communications
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Contents
CHEMISTRY International January-March 2020 Volume 42 No. 1
President's Column
IUPAC
IUPAC
1) Celebrating the
All on the Same Team by Christopher Brett 2
International Year
of Chemistry 2011
Pure and Applied Chemistry
Pure and Features
Elements of Sports: From IYPT2019 to Tokyo2020 5
Applied by Miki Hasegawa, Masamichi Yamanaka, Osamu Miyamae and Hayano
83
1
Chemistry Official Journal of the
International Union of
Pure and Applied Chemistry
Anti-doping: Two Scientists’ Points of View
by David A Cowan and Vincenzo Abbate
8
Pure and Applied Chemistry Special Topic Series 12
Vol. 83, No. 1 (January 2011) Pages 1–252
by Danielle Fauque and James Bull
A Global Discourse on the Future of Chemistry
The Inaugural IYCN General Assembly by Bailey Mourant, Lori Ferrins, 16
Sophie Carenco, Natalie LaFranzo, and Catherine M. Rawlins
From Young Attendees to Young Actors: The “Young Chemists 20
SPECIAL TOPIC ISSUE
Perspectives and Challenges for the International Year of Chemistry
Symposium” at IUPAC2019 by Sophie Carenco et al.
Volume 83, No. 1, January 2011 The IUPAC100 Global Women’s Breakfast: Empowering Women 22
in Chemistry by Mary Garson and Laura McConnell
IUPAC Wire
IUPAC recognized by OPCW 26
IUPAC-SOLVAY International Award for Young Chemists— 27
Call for Nominations
BIPM and IUPAC formalize a long-standing cooperation 27
Grand Prix de la Fondation de la Maison de la Chimie— 28
Call for Nominations
DSM Bright Science Award 2020 in materials sciences— 28
Call for Nominations
2020—International Year of Plant Health 28
Project Place
Impact of Objective Analysis of Clinical Trial Failures on 29
Drug Discovery and Development Processes
Basic Classification and Definitions of Polymerization Reactions 29
Henry’s Law constants 29
Experimental methods and data evaluation procedures for the 29
determination of radical copolymerization reactivity ratios
Enhanced recognition and encoding of stereoconfiguration 30
by InChI tools
Nomenclature and associated terminology for inorganic 30
nanoscale particles
Provisional Recommendations 30
Making an ImPACt
An inter-comparison of isotopic composition of neon via 31
chemical assays and thermal analyses (IUPAC Technical Report)
Definition of the chalcogen bond (IUPAC Recommendations 2019) 31
Critically evaluated propagation rate coefficients for radical 31
polymerizations: acrylates and vinyl acetate in bulk
(IUPAC Technical Report)
Experiments on adsorption at hydrous metal oxide surfaces 31
using attenuated total reflection infrared spectroscopy
(ATRIRS) (IUPAC Technical Report)
Chemistry Teacher International, Best Practices 31
in Chemistry Education
continued on page 2
page 37
President's Column
All on the communication, the benefit of humankind, can seem
simple but can represent huge challenges.
Same Team The IUPAC mission is being accomplished and will
continue in three essential ways. First, two more tradi-
by Christopher Brett tional ways which it has done throughout the past cen-
tury, and for which IUPAC is recognised, and which will
B
y the time you read this col- continue to be of critical importance. These are provid-
umn, 2019 will have ended, ing a common language for chemistry and advocating
and with it the important and promoting the free exchange of scientific informa-
celebrations of IUPAC’s centenary tion. They may be understood by society as technical
and the International Year of the but are crucial for the communication of science and
Periodic Table of the Chemical for IUPAC to be able to contribute in ways that are un-
Elements (IYPT). Both of these have focused on the dis- derstood by all, starting with the chemistry communi-
semination of knowledge, creating educational oppor- ties, both academic and industrial. The third way is fos-
tunities and information exchange as central ideas for tering sustainable development, an aspect which has
IUPAC, as well as on the history of IUPAC since 1919 come to the forefront and which we can expect to grow
and the development of the periodic table. However, an in importance in the future as we witness the fruits of
ending is also a beginning; a forward-looking perspec- what is happening to the planet and our environment.
tive behind the worldwide New Year 2020 celebrations These are three crucial challenges, different fac-
at the end of one year and the beginning of the next. ets of which will change over time as will their relative
Remember the achievements in order not to forget, to importance.
move forward and build on them. We recently held an interesting and informative
discussion at the meeting of the IUPAC Bureau, where
IUPAC’s future role poses many questions of both break-out groups were asked to say how they think
a practical nature as well as a vision. To what extent that IUPAC will look in 5, in 10 or in 50 years time. It
should we try to create IUPAC’s role in the future and was a very illuminating exercise, not least because it
be ready to collaborate with other international or gave the opportunity to look at a different status quo
world organizations in the implementation of society’s starting from zero, in other words how would IUPAC
and, in particular the chemical community’s, needs? In look if it were to be founded today as a sustainable
what areas, and how, can we best contribute with our organisation in all senses. In these middle to long term
expertise and experience in chemistry? visions, the difficulties of transitioning from the current
Several years ago, IUPAC council approved a stra- status quo to the new one could be put aside, as well
tegic plan that underpins our future development, and as how to put this in place.
answers the underlying question “Why IUPAC?” The The main conclusions were:
answer starts with a vision which defines our mission, • Given its vision and mission, IUPAC should involve
the vision that IUPAC is an indispensable worldwide the whole world. At the present, the majority of
resource for chemistry. IUPAC’s mission is that IUPAC stakeholders are from countries which have some
provides objective scientific expertise and develops chemical industry, Can we help other countries
the essential tools for the application and communica- achieve the sustainability necessary to become
tion of chemical knowledge for the benefit of human- members of IUPAC? IUPAC as a world organisa-
kind and the world. The words above: expertise, tools, tion should have members from all over the world.
Contents (cont.)
Conference Call
Spectroscopy and new horizons 34
Solution Chemistry in Action! 35
Flying Chemistry Educator Program in Ulang Bataar, Mongolia 37
Innovative Chemistry for Environmental Enhancement 41
Caribbean Celebrations 44
Where 2b & Y 47
Mark Your Calendar 50
2 Chemistry International January-March 2020
2020-2021 IUPAC Bureau Membership
Officers
IUPAC, of course, grapples with most of the prac- Prof. Christopher Brett, Portugal
President
tical challenges faced by all international organi-
Prof. Javier García-Martínez, Spain
sations that deal with countries where the relative
Vice President
priorities for the future vary. I am sure that some of Prof. Qi-Feng Zhou, China/Beijing
the actions we have started and future discussions Past President
will lead to a much wider geographical spread Prof. Richard Hartshorn, New Zealand
than we have at the moment. Secretary General
• The organizational and administrative structure of Mr. Colin Humphris, United Kingdom
IUPAC needs to be ready to adapt to the chang- Treasurer
ing landscape in chemistry in academia and indus- Elected Members
try, but always being geared towards achieving Prof. Ghada Bassioni, Egypt
IUPAC’s strategic goals. Prof. Russell J. Boyd, Canada
• The legacy of IUPAC100 and of IYPT must be fruit- Prof. Mei-Hung Chiu, China/Taipei
ful. The events of 2019 have been extremely well Prof. Petr Fedotov, Russia
received by the chemistry community, the scientif- Prof. Mary Garson, Australia
ic community and the public at large. I have seen Prof. Ehud Keinan, Israel
Prof. Christopher K. Ober, USA
countless examples at many events throughout
Prof. Gloria Obuzor, Nigeria
the world of young people’s fascination with the
Dr. Bipul Behari Saha, India
periodic table itself and, clearly, the chemical ele- Prof. Ken Sakai, Japan
ments and their uses. This is also reflected in the
very large number of participants in the Periodic Division Presidents
Table Challenge, over 60 000 from 133 countries, Dr. Tim Wallington, USA
Physical and Biophysical Chemistry Division
at the time of writing. It triggers their imagination,
Prof. Lars R. Öhrström, Sweden
their interest in the natural world and in science, Inorganic Chemistry Division
how the different elements interact with our daily Prof. Nikolay Nifantiev, Russia
lives and can be used to improve our quality of life. Organic and Biomolecular Chemistry Division
We must seek to ensure that these sparks become Prof. Christine Luscombe, USA
flames for the future. We need the input from the Polymer Division
future generations to help us address current and Dr. Zoltán Mester, Canada
future challenges in a responsible way, and suc- Analytical Chemistry Division
cesses should be built upon. Many celebratory Prof. Hemda Garelick, United Kingdom
Chemistry and the Environment Division
events have taken place throughout the world and
Prof. Rita Cornelis, Belgium
have been reported on. Organised by IUPAC di- Chemistry and Human Health Division
rectly, the global women’s breakfast which took Prof. Alan Hutton, South Africa
place on 12 February 2019 to coincide with the Chemical Nomenclature and Structure Representation
International Day of Women in Science was a tre-
Other Standing Committee Chairs
mendous success in bringing people together, not
Prof. Francesca Kerton, Canada
just women, and will be repeated in 2020.
CHEMRAWN Committee
Prof. Jan Apothker, Netherlands
Chemistry has been the motor for and has been Committee on Chemistry Education
instrumental in the development of the present-day Dr. Robert Audette
world, through new discoveries and inventions an their Committee on Chemistry and Industry
innovative application. We need to be aware of all the Prof. Jürgen Stohner, Switzerland
contributions of chemistry has made and will make. The Interdivisional Committee on Terminology,
future has been highlighted in the top ten new tech- Nomenclature and Symbols
Dr. Leah McEwen, USA
nologies—featured in Chemistry International in 2019. A
Committee on Publications and Cheminformatics
further ten new technologies will be featured in 2020.
Data Standards
Chemistry has a very important role to play in sus- Prof. Pietro Tundo
tainable development. Past and current efforts in this Interdivisional Committee on Green Chemistry
area, include green chemistry for sustainable devel- for Sustainable Development
opment. Its an excellent example of an interdivision-
al committee whose role is to coordinate activities in (Executive Committee members are denoted in bold).
Chemistry International January-March 2020 3
President's Column
green chemistry and related areas such as sustainable elements beyond 118.
energy in events that can be exemplified by confer- So, we will take steps to increase IUPAC’s role and
ences, awards, projects, and summer schools. This ex- visibility, especially in countries and parts of the world
emplifies IUPAC’s partners and collaborators including where IUPAC has had less impact in the past, not for-
international organisations—such as UNESCO and the getting where the global outreach of IUPAC both to
organisation for the Prohibition of Chemical Weapons the general scientific community and for public aware-
(OPCW)—and industry. Chemical industry concerns ness is insufficient or too widespread. We must ensure
IUPAC in relation to chemical processes, sustainable that the outcome of the IUPAC Centenary celebrations
energy, waste and the environment, health and foods, and of IYPT strongly contribute to IUPAC’s legacy and
and others. IUPAC will be heavily involved in and con- to IUPAC’s future, through special activities and proj-
tribute to reaching the 17 UN Sustainable Development ects and new internal and dissemination initiatives. We
Goals of Agenda 2030. must do this respecting our core values of advancing
IUPAC is the proud recipient of one of the three chemistry through excellence, collaboration, diversity
Hague medals in 2019, attributed by OPCW to recog- and inclusiveness, amongst others.
nise the important collaboration between the two or- We need to contribute to chemistry worldwide and
ganisations over the last two decades in advocating the to a better recognition of chemistry as an important con-
peaceful uses of chemistry and developing and promot- tributor to solving the challenges that the world faces.
ing the Hague Ethical Guidelines. Additionally, providing It is clear to me that this is what all the thousands
information to them on scientific and technological ad- of volunteers who have contributed and are continu-
vances and providing tools and materials for education ing to contribute to IUPAC’s work want, because we
and outreach. We seek to deepen the collaboration as believe that we can do something worthwhile for the
we also do with other international organisations. chemistry community. Healthy discussion and debate
IUPAC will continue to work to ensure that chemi- of ideas between the best worldwide experts leads
cal information can be distributed and understood in a us to the best solutions. We are all on the same team,
digital world, with initiatives such as InChI, which has from academia and industry, from young observers to
featured as one of the important achievements de- the less young of us. We want to help the chemical
scribed in the IUPAC web stories created on the occa- industry in the quest for sustainable development not
sion of the centenary. These stories cover a wide range just for now but for ten, twenty and more years ahead.
of IUPAC activities and point to the future. It also in- Can we rise to all these challenges? I believe we can
volves CODATA, the Committee on Data of the Interna- and can make our future vision of IUPAC come true in
tional Science Council (ISC). CODATA promotes global a dynamic way.
collaboration to advance Open Science and to improve Finally, as we begin a new biennium, I would like to
the availability and usability of data for all areas of re- thank you all for your dedication, in our quest to imple-
search, clearly in line with IUPAC’s future objectives in ment IUPAC’s vision now and in the future.
this area. This is just one example of our interaction
with the ISC. In the era of big data, issues include cap- Christopher Brett is President of IUPAC since January
turing data, data storage, data analysis, transfer, up- 2020. He is a professor of chemistry in the Faculty of Sciences and Technology,
dating, and others. University of Coimbra, Portugal, where he has been since 1981, lecturing
We need to continue to emphasise dissemination mainly electrochemistry, physical chemistry, materials chemistry and ana-
through education and training, particularly where we lytical chemistry. He has been an elected member of the IUPAC Bureau since
can make a real difference. It is also an excellent illus- 2012 and a member of the Executive Committee since 2016. He has gained
tration of how the legacy of the International Year of extensive experience in IUPAC matters since 1994; he was President of the
the Periodic Table can be envisaged, as I mentioned Physical and Biophysical Division (Division I) from 2006-2007, having been
above. The large number of initiatives has generated a Titular Member of the Division Committee since 2000 and Vice-President
enormous interest. What an advertisement for chemis- 2004-5. Before this, he was a member of the Electrochemistry Commission
try! One just needs to look at the events registered on (Commission I.3) from 1994, having been Secretary in 1998-1999 and
the IYPT webpage. Most of us have been involved in Chair from 2000-2001. He was President of the International Society of
the events in one way or another. It also demonstrates Electrochemistry (ISE), an associated organization of IUPAC, from 2007-2008,
how a cornerstone of past and present IUPAC activ- a member of the ISE Executive Committee from 2003-2010; and coordinator
ities regarding chemical elements, the new elements of the 2011 International Year of Chemistry activities of ISE. He was President
and atomic weights can capture the public’s attention. of the Analytical Chemistry Division of the Portuguese Chemical Society
All of us are eagerly awaiting the appearance of new (Sociedade Portuguesa de Química) in 1996-1999 and 2003-2005.
4 Chemistry International January-March 2020
Elements of Sports:
From IYPT 2019 to Tokyo 20201
by Miki Hasegawa,
Masamichi
Yamanaka, Osamu
Miyamae and
Hayanon Science
Manga Studio1
S
ports, one of the sym-
bols of the global
human culture and
a unit of peaceful society,
excite both competitors and
audiences. During the game
and even practice, athletes
concentrate to choose not
only a comfortable design
but also high-performing
materials of their shoes,
rackets, uniforms, etc. Under
the high demand of ath-
letes, sports materials are
evolving with the support of
new chemical reactions and Illustration by Hayanon Science Manga Studio
coordination chemistry. Here, we exhibit the role of ele- shown tables on the website.2 Then, we found that iron
ments in sports. The International Year of the Periodic is one of the key elements in sports. Iron is one of the
Table (IYPT) will bring chemistry into the future as The more abundant elements in the Earth’s crust (4th; 5 %
Olympic & Paralympic Games in Tokyo in 2020. of the crust). On the athletic field, athletes wear spikes
in their shoes to run and turn with surety. These small
“Ironmen” is an expression for strong athletes that spikes are made with iron, as well the starting-blocks
originates in the tough image of iron (26Fe). We can that help sprinters launch themselves at the beginning
easily find many places and parts at the sports stadium of a race. The cannonball used in the shot put and the
forged from iron. The majority of these materials com- disc in the discus throw are also mainly made with iron.
bine iron with other elements to form alloys used for The Olympic & Paralympic Games have a long history
their flexibility or prevention of oxidation. The shotput, as well as the iron which is one of the most traditional
fencing sword and barbell are exceptions, being made and historical materials to make shaped materials on
from neat iron. In the past, many sports used neat iron demand. In fencing, iron is used for the supple swords
as a tough metal, for applications such, the shaft of a and the stiff, protective masks. In gymnastics, par-
golf club, or the frame of a bicycle or wheelchair. In allel bars and iron bars are made of iron, the former
recent decades, alloys of iron and aluminum (13Al), tita- contains GFRP (glass fiber reinforced plastics) as well.
nium (22Ti) or magnesium (12Mg) with CFRP (Carbon Fi- Similarly, the shooting guns and bullets contain iron.
ber Reinforced Plastic) were developed for increasing Finally, the stadium structures, the trains, and the au-
performance and high scores in games. Here, we would tomobiles are built by using metals beams and other
like to enjoy the world of elements in sports. parts that make use of iron and other elements such as
nickel (28Ni), titanium, and others.
No Iron, no games
Before starting to write, we checked and sum- Carbon is everywhere
marized materials which strongly support athletes as In sports, clothing has several roles, such as
1. This feature is the last one in a special collection published under the title of Elements of X, published in Chem Int Oct
2019. The chemical elements tiles (page 7) illustrating this feature are part of the IYPT Timeline of Elements project
https://uwaterloo.ca/chemistry/timeline-elements-image-gallery
2. See supplementary materials at degruyter.com/ci or directly from https://doi.org/10.1515/ci-2020-0102
Chemistry International January-March 2020 5
Hed
Elements of Sports: From IYPT 2019 to Tokyo 2020
identifying teammates, encouraging athletes, recog-
nizing countries/regions, and ensuring participant
safety. These clothes differ for each athlete with vari-
ous raw materials, such as cotton, silk, polyester, poly-
urethane, and nylon, which are all mainly based on
carbon (6C) and hydrogen (1H). These materials can be
easily dyed with the colors of a team.
Like bamboo trees, polymer materials provide
strength and elasticity for athlete’s protection. Be-
cause of its high transparency, polycarbonate is used
for swimming-goggles and the back-board behind the
basketball hoop. Additionally, it’s more impact resis-
tant and lighter than the silicon oxide-glass materi-
als usually used. In Japan, the Shinkansen’s windows
are also made with polycarbonate. Kevlar is a hydro-
Luminescent stamps of Olympic & Paralympic Games for Tokyo
gen bonds polymer and known as a highly resistant
2020 (left) and red-barcode for transportation from Japan
material with good elasticity properties. Therefore, Post (right) under ambient (top) and UV (bottom) light.
this polymer is employed for the string of an archer’s
bow, fencing lamés, hockey sticks or sail boat rudders. elements. Glass Fiber Reinforced Plastics (GFRP, 14Si,
CFRPs are known for having more elasticity behavior 16
O) are often mixed with CFRP and used in ship bodies
than previously described polymers. They are applied or high jump sticks for their high rigidity.
to bows and arrow of archers, rackets for badminton Finally, carbon compounds can be used as an arti-
and tennis, and shafts for golf or hockey. Additionally, ficial coating for footballs, baseballs, volleyballs, bas-
this unique property is suitable for the frame of wheel- ketballs, foot-covers in rhythmic gymnastics, and oth-
chairs and bicycles or the hulls of canoes, sailboats, er small sports equipment. These artificial coatings are
or other competitive boats when combined with other developed by polymer science using hydrocarbons.
Function Diversity for Results on Athletes
The excitement of sports events universally make
us happy. This has been supported by advanced mate-
rials for safety, efficiency, and comfort of players. Here,
we focus on two elements, silicon (14Si) and sulfur (16S)
in some of the latest advanced materials in sports.
Silicon, the second most abundant element in the
earth’s crust after oxygen, constitutes rocks as sili-
cates and silicon dioxide. On one hand, amorphous
silicon is widely used in semiconductor devices such
as thin-film transistors (TFT) and solar cells. On the
other hand, an organized compound in which an or-
ganic group is bonded to the main skeleton formed
by a siloxane alternatively composed of silicon and
oxygen is referred to as silicone. The physical proper-
ties of silicone can be freely controlled, from oil state
to rubber state, depending on changes in the chain
length of the siloxane bond. As a result, silicone is
used in a wide range of fields including construction,
electronics, and medicine.
The silicone is cross-linked with an appropriate
amount of silane or other reagents to form a silicone
gel. Taica Corporation leads the world in the field of
Energy absorber gel, αGEL. Photos show a raw egg having silicone gel and has released various products under
no crack after falling from 18 m. the trade name of αGEL. In particular, as a vibration
6 Chemistry International January-March 2020
isolation insulator, it is used in vari-
ous situations that are not direct-
ly visible. A layer of shock absorbent
αGEL only 2 cm thin can accept raw eggs
dropped from a height of 18 m without
cracking. This property of shock absorben-
cy is used as a shock absorber in the sole of
running shoes. While running, the runner is subject to organic
to an impact of three times the runner’s weight. The fluorophore.
αGEL absorbs the energy at the time of the ground While we sure-
collision to buffer the impact. Furthermore, the run- ly found another
ning speed is maintained by providing an appropriate lanthanide on our
modulus of resilience. αGELs are also used in mats for mail, it is europium
bouldering, which is one of the new sports adopted (63Eu) as a red-barcode under UV light for the
for the Olympic & Paralympic Games 2020 in Tokyo. smooth operation of Japan Post. The lumines-
The impact absorbency properties of the αGEL allow cence of this element is assigned to ff-transition
a thinner mat while reducing the impact on the body localized on the inner core electronic transition of
of the climber by about 41 % compared to conventional europium. The luminescence is accelerated by UV irra-
urethane mats. diation and known as a security ink for counterfeit pre-
Sulfur is naturally present in sulfide and sulfate vention. It is not only used for beautiful design but also
minerals. Sulfur is found in the amino acids cysteine for high security. Rare earth elements were recently
and methionine and plays an important role in the for- found in the Tokyo deep sea and we hope that some of
mation of higher-order structures and functions in liv- the elements obtained from the Tokyo sea will become
ing organisms. In Japanese culture, some popular and functional materials relating to Olympic & Paralympic
famous hot springs are known as sulfur springs and Games in 2020 as a “Made in Tokyo” material.
contain sulfur compounds good for the skin and the
body. Sulfur plays an important role in the production Elements always support sports and athletes
of rubber products. There are two types of rubber: the The Olympics represent our ability to come togeth-
natural rubber which is harvested from the rubber tree er peacefully to enjoy sports. Every athlete has a target
and the synthetic rubber which is synthesized by po- to win a gold (79Au) medal. Each event has its history,
lymerization of monomers such as isoprene and bu- but each generation needs advanced materials in the
tadiene. Sulfur vulcanization is an important process combination of suitable elements. Every four-years
to convert natural and synthetic rubbers into materials the Olympic & Paralympic Games show distinguished
of a variety of hardness and elasticity. Many of these players/athletes, and the important role of elements in
rubbers are used in automobile tires and tubes. In the sports. We are looking forward to watching the games
field of sports, rubbers are used as a surface on a ta- and to seeing developments using essential elements.
ble tennis racket. The surface rubber is very important Anyway, there is not enough space to describe all of
for players to demonstrate their skill. Top athletes can the elements in the Periodic Table in sports. We can
perceive the subtle changes in the rubber’s coefficient only wonder what sorts of elements will be used in fu-
of restitution. The makers provide rubbers required by ture games!
athletes through rubber compounding technology.
Miki Hasegawa is Professor, Department
Rare earths? of Chemistry and Biological Science, & Mirai Molecular Materials Design
As you wonder why a series of rare earths makes Institute, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku,
its way out of ordinary boxes in the periodic table of Sagamihara, Kanagawa 252-5258, Japan. Masamichi Yamanaka
elements, we just found the greenish luminescence of , Associate Professor, Department
the Japanese stamps of Olympic & Paralympic Games, of Chemistry, & Research Institute of Green Science, Shizuoka University.
Tokyo 2020 under UV light. It looks like the typical Osamu Miyamae , Senior Chief
emission from rare earths, such as terbium element Researcher, Nippon Steel Research Institute Corporation. Hayanon Science
(65Tb), doesn’t it? But it is not Tb, since the spectral Manga Studio , is a freelance Science Comic Artist
viewpoints observed at our laboratory can be assigned based in Japan.
Chemistry International January-March 2020 7
Anti-doping:
Two Scientists’ Points of View
by David A Cowan and
Vincenzo Abbate
A
s we get close to the start of
the Olympic and Paralympic
Games taking place next
summer in Tokyo, Japan, athletes
are preparing for selection by their
host nation. This preparation, like
most activities, is governed by the
rules of sport. One of the most
important rules relates to doping, a
practice that is prohibited.
Olympic sports follow the anti-doping rules of the evading their detection during routine drug testing. All
World Anti-Doping Agency (WADA) who publish a substances in the classes just described are banned at
Prohibited List annually [1]. The list for the Games has all times, i.e. both in- and out-of-competition.
just been approved by the WADA Executive and came Generally, it is the mere presence of a Prohibited
into effect on 1 January 2020. This year’s Prohibited Substance that provides prima facie evidence of a con-
List is very similar to that of 2019, although interest- travention of the rules. For some substances, however,
ingly the use of argon, thought to stimulate red cell there may be a threshold above which their concen-
production, is no longer prohibited. The format of the trations in urine must be exceeded before the WADA
Prohibited List is to differentiate substances that are accredited laboratories that test the samples will report
banned at any time, such as the anabolic steroids, from a so-called “Adverse Analytical Finding” (AAF). For ex-
those that are banned only at competition time such ample, the beta-2 agonist salbutamol is prohibited if
as stimulants. Interestingly, the WADA Code [2] de- the concentration in urine exceeds 1000 ng/mL. The
fines competition time for the purposes of the rules laboratory will apply a WADA specified measurement
as “in-competition,” which is “the period commencing uncertainty of 200 ng/mL and will not report an AAF
twelve hours before a Competition in which the Ath- for salbutamol unless the concentration exceeds 1200
lete is scheduled to participate through the end of ng/mL. The laboratory will ensure that its analytical
such Competition and the Sample collection process method has a measurement uncertainty that is less
related to such Competition.” than the WADA specified value, which is considered to
Although it is, of course, the administration of par- be the maximum tolerated value. The laboratory perfor-
ticular chemicals or drugs that is banned, the rules mance, assuring that the laboratory meets the WADA
classify these according to pharmacological groups, uncertainty requirements [3], is evaluated via external
that is, according to the effect of the drug on the hu- quality assurance schemes (EQAS) organised at least
man body. These classes include: “anabolic agents,” i.e. three times a year by WADA. In addition, WADA sub-
anabolic/androgenic steroids as well as certain other mits double-blind samples through national anti-dop-
substances with anabolic activity such as clenbuterol ing organisations and sample collection agencies. Even
and selective androgen receptor modulators (SARMs); false negative results will render the laboratory liable
the class called “peptide hormones, growth factors, re- to an inspection by WADA and possible suspension or
lated substances, and mimetics,” comprises substances even revocation of its accreditation. Even before gain-
such as erythropoietin (EPO) and other agents that af- ing WADA accreditation, the laboratory is required to
fect erythropoiesis (red blood cell formation); the next be accredited to ISO 17025 as a testing laboratory, gen-
class is “beta-2 agonists” which are used medically to erally with a flexible scope of accreditation, covering
treat exercise-induced bronchoconstriction and asth- all the classes of prohibited substances required by
ma, but there are some exceptions to this prohibition WADA from time to time. Getting a flexible scope of
dealt with later; “hormone and metabolic modulators” accreditation is particularly difficult for a new labora-
including insulins and meldonium, the drug that Maria tory since most accrediting bodies, such as the United
Sharapova was accused of misusing; and “diuretics and Kingdom Accreditation Service (UKAS), will require the
masking agents,” that is, substances taken to reduce laboratory first to show its competence in dealing with
the appearance of a banned substance in urine thereby named substances. Only after satisfactory performance
8 Chemistry International January-March 2020of getting extensions to scope to include additional Documents [3] a set of criteria based on the concen-
named substances, often taking several years, is flex- trations of the two analytes adjusted for the specific
ible scope likely to be granted. The need for flexible gravity of the sample, if greater than 1.018, and the ratio
scope is in order to be able to deal with new “designer” of the two, to be considered before reporting an AAF.
drugs which are banned by WADA under its classifica- With the exception of the narcotics, the Prohibit-
tion category S0 of “Non-Approved Substances,” which ed List, despite its name, is simply a list of examples
is defined as “Any pharmacological substance which is of substances that are controlled. Under many of the
not addressed by any of the subsequent sections of the headers, the words “including but not limited to” or
List and with no current approval by any governmental sometimes “and other substances with similar chem-
regulatory health authority for human therapeutic use ical structure or similar biological effect(s), are pro-
(e.g. drugs under pre-clinical or clinical development hibited.” The idea is to limit the possibility of designer
or discontinued, designer drugs, substances approved drug circumventing the regulations.
only for veterinary use) is prohibited at all times”. By now the reader might appreciate that the ana-
The next group of categories comprise Prohib- lytical laboratory needs to be able to deal with a wide
ited Methods. These include: manipulation of blood range of drugs from relatively small volatile basic com-
and blood components (this category includes blood pounds like methylhexanamine, also known as DMAA,
transfusion including one’s own blood); chemical and and amfetamine, more polar compounds like testoster-
physical manipulation; gene and cell doping. one glucuronide, through to large molecules like hu-
As mentioned earlier, stimulants are prohibited man growth hormone and erythropoietin (EPO) as well
in-competition only, as are narcotics (but only speci- as erythrocytes and reticulocytes. Of course, with such
fied narcotics such as morphine), cannabinoids (but a wide range of chemistries, no one analytical meth-
not cannabidiol), glucocorticoids and beta-blockers in od is suitable. Furthermore, the concentration of the
some sports only. Interestingly, morphine is banned but analytes that need to be monitored varies widely. An
codeine is a permitted substance. This means that since EPO isoform may be present at less than 100 attomo-
morphine is a metabolite of codeine as well as a drug lar on an isoelectric focussing gel, procollagen III ami-
in its own right, laboratories have to attempt to distin- no terminal propeptide (P-III-NP, which is a biomarker
guish the presence of morphine arising from morphine used to evidence growth hormone administration) at
administration from that coming from codeine. To as- around 25 pM, right up to pseudoephedrine that has
sist this process, WADA includes in one of its Technical a reporting threshold of 150 µg/mL or around 1 mM.
millimolar
Analysis
LC-(HR) MS/MS
Concentrations
WADA
pH
attomolar
Size & complexity
Graph illustrating the many factors that need be considered by the anti-doping laboratory
Chemistry International January-March 2020 9Anti-doping: Two Scientists’ Points of View
Thus, the concentration range encountered in human substances that are chemically identical or virtually
sports doping analysis is around 1013 orders of magni- identical to the endogenous hormone that are admin-
tude. WADA sets minimum required performance lim- istered against the rules, are only poorly measured
its (MRPL) [4] that means that laboratories need to be against the population reference intervals. In order
able to detect the different prohibited substances at, to improve the sensitivity of detection of these pseu-
and generally have to show that their limits of detec- do-endogenous compounds, WADA requires the use
tion are less than 50 % of, the relevant MRPL in the rele- of carbon-isotope ratio mass spectrometry (C-IRMS)
vant matrix of urine and/or blood by spiking a suitable or the athlete biological passport (ABP) depending on
number of blank matrix samples. Furthermore, they the compound. Although C-IRMS is useful to prove a
need to implement confirmation procedures that meet different isotope signature of the administered steroid,
the WADA standards with similar sensitivities to that of e.g. testosterone, from that produced endogenously,
the initial testing (or screening) procedure. sources of testosterone are available with isotope sig-
The analytical techniques used include a number natures very similar to that of most athletes. The ABP
of specific measurements such as simple pH measure- is now widely used to monitor whole blood using cell
ment with a glass electrode, specific gravity inferred cytometers to measure haematocrit, haemoglobin, re-
from a refractometer and human chorionic gonadotro- ticulocytes and several other blood variables, which
phin (the hormone often used as a pregnancy test for are then entered onto a WADA database known as the
females but used by males to stimulate testosterone Anti-Doping Administration and Management System
production) by immunoassay. or simply ADAMS, which is also used to record athlete
Gas chromatography- (GC-) coupled mass spec- whereabouts to facilitate nil-notice sample collection.
trometry (MS) has been the cornerstone of screening Using the ABP system, the athlete is measured against
samples and especially effective for the anabolic ste- themself rather than against the population, making
roids. In more recent years, the use of tandem MS typ- any change to the athlete’s profile more readily seen.
ically with triple quadrupole instruments has replaced Then an expert group of three haematologists inde-
the single quadrupole in anti-doping laboratories. Liq- pendently review the data and if all three conclude
uid chromatography (LC) coupled MS/MS or LC-high that there has been a doping violation rather than a
resolution accurate mass MS (HRMS) is now being used medical disorder or physiological abnormality, this is
widely and is probably the major analytical technique in put forward for possible disciplinary action.
use for a variety of analytes covering wide concentra- Although an AAF is evidence that an offence has
tion and mass ranges. Dilute and inject techniques are been committed, because the WADA Code allows miti-
also gaining in popularity particularly as manufacturers gation if the athlete can prove no intent, many cases fo-
improve the sensitivity of their instruments. Electro- cus on claims that a drink had been spiked or a contam-
spray ionisation (ESI) is the main ionisation technique inated supplement had been taken. This requires the
for LC-MS and nano- or preferably micro-spray, because toxicologists involved in case review to consider some-
of its greater reliability and ease of use, are becoming times very limited data in order to assist the disciplinary
more routine. The latest research is looking into the panel hearing the case. Sometimes the defence claim
routine use of supercritical fluid chromatography mass is rather predictable such as the AAF for the cannabis
spectrometry giving a good degree of orthogonality in metabolite carboxy-tetrahydrocannabinol. The athlete
terms of retention time compared with reversed-phase claims that he was in Amsterdam, where cannabis may
LC. For peptide/protein hormones, such as insulin and be widely available, went out drinking and came back
insulin-like growth factor-I (IGF-I), LC-MS/MS is em- to where he was staying, felt hungry and saw some
ployed making use of the multiple charges obtained in cakes on the table that he then ate. He discovered the
ESI for the intact hormone. Trypsin digestion of IGF-I next day that these cakes contained cannabis; this hav-
and also P-III-NP is being used for the quantification ing occurred two weeks before the urine sample that
of these hormones too, gradually replacing commercial gave the AAF was collected. Or the cocaine defence
immunoassays that may change from time to time be- where the athlete claimed that he was counting bank
cause of manufacturers changing their products, which notes and licking his fingers and bites his nails and this
affects the traceability of the measurement needed by was the source of the cocaine that resulted in an AAF
the WADA accredited laboratory. for the cocaine metabolite benzoylecgonine.
Although many of the quantitative assays are for Another possible complication is the Therapeutic
foreign substances with thresholds set by WADA, Use Exemption (TUE) certification allowed by WADA.
some of the pseudo-endogenous substances, that is This allows the athlete needing medication that would
10 Chemistry International January-March 2020Anti-doping: Two Scientists’ Points of View
otherwise contravene the rules to get approval for the of these NSPs and developing and validating robust
use of one or more medications. Thus, although the analytical procedures for their detection and identifi-
laboratory may report an AAF, a TUE may be present cation represent an ongoing challenge for the forensic
meaning that there may be no case to answer. Howev- laboratories. People may think that the scientists lag
er, the laboratory or toxicologist may be asked wheth- behind the dopers. In fact, WADA has an early warn-
er the laboratory findings are consistent with the terms ing system regarding the potential misuse of phar-
of the TUE or whether the athlete has taken more than maceuticals even before they reach the market. It has
they should have or taken additional substances that agreements since 2011 with many of the major pharma-
are prohibited. ceutical companies including GlaxoSmithKline, Pfizer
The last decade has seen the emergence of a new and Roche, as well as the International Federation of
recreational drug phenomenon whereby hundreds of Pharmaceutical Manufacturers and Associations and,
new psychoactive substances (NPS) has been synthe- in September this year, the Japanese Pharmaceutical
sized and widely distributed either on the dark web, or, Company Kyowa Kirin too.
depending on the individual country legislation, even in The future is exciting with many new challenges
head-shops or petrol station (thus also referred to as “le- facing the scientist working in this area but, as histo-
gal highs”) [5] . More than 730 new chemical analogues ry has shown, they will continue to make an impact in
have been reported to the European Monitoring Centre helping to deter drug misuse in sport.
for Drugs and Drug Addiction (EMCDDA) by the end of
2018 [6]. These small molecule drugs may be classified References:
according to several clusters, the most reliable one being 1. WADA International Standard, 2020 Prohibited
probably their pharmacological action, such as (sub-) List, https://www.wada-ama.org/sites/default/files/
receptor binding and main pharmaco-toxicological ef- wada_2020_english_prohibited_list.pdf, last accessed 1
fects commonly observed amongst users. The main NPS October 2019.
2. WADA Code, https://www.wada-ama.org/sites/default/
subclasses include stimulants, synthetic cannabinoids,
files/resources/files/2021_code.pdf, last accessed 24
designer hallucinogens, designer benzodiazepines and
December 2019.
synthetic opioids. A large number of fatal or non-fatal 3. WADA Technical Document, Decision Limits for the
intoxications are attributed to these substances every Confirmatory Quantification of Threshold Substances,
year, posing a major challenge for clinical and forensic https://www.wada-ama.org/sites/default/files/
toxicologists, policy makers, and public authorities alike. resources/files/td2019dl_v2_finalb.pdf, last accessed 1
The link between such NPS and drugs in sports may October 2019.
seem tenuous, however drug testing laboratories should 4. WADA Technical Document – Minimum Required
implement screening and confirmatory assays to cover Performance Levels, https://www.wada-ama.org/sites/
NPS, many of which are covered by WADA regulations. default/files/resources/files/td2019mrpl_eng.pdf, last
accessed 1 October 2019.
A parallel and recent wave of new synthetic sub-
5. V. Abbate, M. Schwenk, C. Presley Brandon, N.
stances with a high potential for misuse in sport has
Uchiyama. Pure and Applied Chemistry, 90(8), pp.
however appeared recently that involves a number of
1255-1282 (2018)
synthetic peptide hormones, such that the established 6. EMCDDA. European Drug Report 2019, http://www.
acronym NPS typically used for small molecules could emcdda.europa.eu/edr2019_en, last accessed
be translated for such new peptide-based substances 1 October 2019.
to NSP (New Synthetic Peptides). These compounds
belong to various analogues of endogenously pro- David Cowan is Emeritus Professor in Pharmaceutical Toxicology at King's
duced peptide hormones, such as IGF-I, insulin, and College London. He is the former director of the WADA accredited labora-
growth-hormone releasing hormones (GHRHs). The tory in London and directed the laboratory for the Olympic and Paralympic
chemical design is centred on structural modifications Games in 2012. Amongst his many awards he was recently recognised by
such that a) the bioavailability is increased via e.g. half- the United States Anti-Doping Agency as the 4th recipient of the Larry
life extension due to the introduction of d-amino acid D Bowers Award for Excellence in Anti-Doping Science. Vincenzo Abbate
residues and/or chemically modified amino acids to re- is a Senior Lecturer in Analytical Toxicology
duce the rate of metabolism; b) their analytical detec- at King’ College London, where he heads up his own research group and
tion (e.g. via LC-MS/MS) may be overlooked in routine serves as the Director of the MSc in Analytical Toxicology. He has been
screening tests because of different mass to charge involved with IUPAC for many years as Associate Member and later as
ratios and fragmentation patterns. Little or no infor- Titular Member of the Chemistry and Human Health Division. He is currently
mation is known about the pharmacology and toxicity the Chair of the IUPAC Subcommittee on Toxicology and Risk Assessment.
Chemistry International January-March 2020 11Pure and Applied Chemistry
Special Topic Series
Danielle Fauque and James Bull on the special issues of PAC from 1996 to 2012
I
n 1999, James Bull was invited to become editor for conferences sponsored by the Union, and soon be-
the scientific journal of IUPAC, Pure and Applied came the predominant component of PAC coverage.
Chemistry (PAC) and specifically for Special Topics,
a series originally conceived as a way of promoting DF: During the 90s, IUPAC was actively engaged in
IUPAC engagement with topics of social relevance. strategic planning and you received an invitation in
As editor of the series and later of PAC, James Bull 1998 to undertake a special project for PAC. Remind
worked to raise the level of awareness of the issues us about the circumstances and purpose of this un-
and in turn draw attention to the work of the Union. In dertaking.
the course of my own research on the history of IUPAC,
I, Danielle Fauque, was intrigued by the series, which JB: The subject came up during a 1998 visit to South
was published between 1996 and 2012 [1]. It became Africa by IUPAC President Joshua Jortner and Secre-
the subject of several lengthy electronic exchanges tary General Edwin D. (Ted) Becker. At the time, I had
with James Bull. The interest of the exchanges was so recently retired from active work on IUPAC Commis-
evident that a publication in CI seemed appropriate. sions and from 20 years as editor of the South Africa
Journal of Chemistry, so the challenge to broaden the
Danielle Fauque (DF): James, in order to provide con- scope of PAC publication coverage was timely. Accord-
text for discussing our subject of the Special Topic ingly, I commenced as editor for Special Topics in 1999,
project, can you briefly outline the origins and earlier with a mandate to facilitate projects already in progress
history of PAC? and the freedom to interpret the concept as I chose, in
consultation with Union colleagues and Divisional rep-
James Bull (JB): Pure and Applied Chemistry was resentatives. New and emerging frontiers of chemical
launched in 1960 as the official publication of IUPAC, sciences and interdisciplinary interfaces were recog-
primarily to improve readership access to Reports and nized as appropriate target areas, particularly those on
Recommendations arising from the work of IUPAC the fringe of or beyond the scope of publication outputs
bodies. The foreword and introductory paper of the from established conference series at that time. In that
first issue [2], provide some insight into the founding respect, Special Topics were intended to extend rather
policy, and included qualified provision for selected than change the distinctive publication ethos of PAC.
publication coverage of “reports of meetings and
symposia.” This feature grew rapidly into a popular DF: Can you explain how the Special Topics project
and eventually obligatory outlet for works based upon was expected to enhance the stature of PAC?
main lectures of a growing number of international
JB: During the formative years of PAC coverage of con-
ference proceedings, editorial initiative and oversight
were secondary to capturing a representative record
of the main scientific proceedings of such events. In
fact, IUPAC sponsorship became conditional upon an
expectation that plenary presenters would offer man-
uscripts, subject only to editorial oversight by confer-
ence organizers, rather than conventional peer review
and meaningful editorial intervention.
By the 90s, global growth of the international con-
ference circuit also saw growing reluctance by promi-
nent presenters to comply with PAC publication com-
mitments as a condition of accepting invitations to
IUPAC sponsored events. PAC publication schedules
also deteriorated, and I had the impression that the
Special Topics project was a first attempt to reinvig-
James Bull (left) with IUPAC Treasurer Christoph Buxtorf orate the journal with fresh perspectives on new and
and his wife, cheering for the health of PAC at the IUPAC emerging areas of chemical sciences.
General Assembly in Torino, Italy in August 2007. A guiding prerequisite that evolved was to
12 Chemistry International January-March 2020concentrate on themed collections of short critical re-
views rather than disclosure of hitherto unpublished
Pure and Applied
IUPAC
IUPAC
72 (1–2) 1–XXX (2000) Official Journal of the
results. Early attempts to augment such collections of International Union of
Chemistry
works with stand-alone feature articles, by invitation to
Pure and Applied Chemistry
individual international authorities, were less success-
Pure and
Pure and Applied Chemistry
ful. A vitally important condition from the outset was
to subject all such works to conventional peer review
by at least two independent and anonymous subject
experts. In practice, would-be authors were also invit-
ed to nominate preferred reviewers [3]. Applied
DF: Was the decision to explore the Special Topics
72
concept influenced by earlier IUPAC efforts to address
Chemistry
1–2 Special Topic Issue on the Theme of Nanostructured Systems
societal issues relating to chemistry through publica-
tion projects?
Vol. 72, Nos. 1–2 (Jan.–Feb. 2000) Pages 1–XXX
JB: The idea of ‘Special Topics’ may well have been in-
spired by publication of a so-called White Book on
Chlorine in 1996 [4], as well as invited collections of
works on ‘Environmental Oestrogens’ (1998) [5] and
‘Oil Spill Countermeasures’ (1999) [6] that preceded
formal adoption of the concept. These projects arose
from initiatives within IUPAC structures to generate
single-issue PAC collections, and were indeed motivat-
ed by societal relevance and public interest. Although
these factors were not emphasized as prerequisites
ISSN 0033-4545 Volume 72, Nos. 1–2, January–February 2000
in the formalized project, they naturally emerged as a
welcome feature1 of many of the Special Topics collec-
PAC0001_cover_2.p65 04/06/2000, 1:46 PM
tions that were subsequently undertaken. international essay competition hosted by IUPAC [11].
Notably, the authors participated enthusiastically, and
DF: Did formal inauguration of the Special Topics proj- several works have since attracted exceptional citation
ect meet expectations? records. This Special Topic series marked the passage
of 2011 with a very fine celebratory compilation enti-
JB: At the outset, collected works arising from ad hoc tled ‘Perspectives and Challenges for the Internation-
projects and workshops provided auspicious begin- al Year of Chemistry’, in which no less than 17 of the
nings, since “Nanostructured Materials” [7] and “Green 37 prize-winners of preceding years participated [12].
Chemistry” [8] were very well supported by manu- Within a year, this collection showed early evidence of
scripts from numbers of leading authorities. Both col- topicality and the promise of significant citation po-
lections were published during 2000, and remained tential. In summary, the Young Chemists series turned
amongst citation frontrunners for this volume over out to be a perfect vehicle for recognising and promot-
several years thereafter. The themes were revisited in ing younger talent, and has also demonstrated how ci-
Special Topic sequels, and Green Chemistry was ad- tation records furnish essential aids to quality control
opted as a regular IUPAC-sponsored conference se- and project prioritization.
ries, starting in 2006. Homage is due to the memory of In summary, the Special Topics concept was hand-
Kenneth Seddon, whose prophetic paper ‘Ionic liquids, somely vindicated in practice, and the early successes
Green solvents for the future’ [9[ in the 2000 collec- played a decisive role in shaping and refining ensuing
tion accumulated an unchallenged record of 838 cita- strategic changes in overall PAC publication policy and
tions by April 2011 [10]. practice.
The Special Topic approach was also adopted in
2002 to launch Young Chemists’ Prize Collections, a DF: Tell us more about this strategic change in publica-
feature that became a particularly rewarding (and en- tion policy, and how it was managed.
during) annual series of invited works by winners of an
Chemistry International January-March 2020 13You can also read
