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\begin{document}

\begin{noXML}

\CDRsetmeta{articletype}{research-article}

\title{Beyond boundaries: unveiling the art of blockchain-enshrined
molecules through xSublimatio}

\alttitle{Au-del\`{a} des fronti\`{e}res : r\'{e}v\'{e}ler l'art des
mol\'{e}cules incorpor\'{e}es dans la blockchain gr\^{a}ce \`{a}
xSublimatio}

\author{\firstname{No\'{e}mie} \lastname{Gouspillou}\CDRorcid{0000-0003-4133-4755}}
\address{Univ. Lille, CNRS, Inserm, CHU Lille, Institut Pasteur de Lille, 
US 41 - UAR 2014 - PLBS, F-59000 Lille, France}
\address{Univ. Lille, CNRS, UMR 8523 -- PhLAM, Physique des Lasers, 
Atomes et Mol\'ecules, F-59000 Lille, France}

\author{\firstname{Camille} \lastname{Vandromme}}
\addressSameAs{1}{Univ. Lille, CNRS, Inserm, CHU Lille, Institut Pasteur de Lille, 
US 41 - UAR 2014 - PLBS, F-59000 Lille, France}

\author{\firstname{Nathalie} \lastname{Stefanov}\CDRorcid{0000-0001-7694-9528}}
\address{Univ. Lille, ULR 3587 - Centres d'Etudes des Arts
Contemporains, \'Ecole d'art Dunkerque-Tourcoing - es\"aLab/Recherche RNSR
n{\textdegree}202224151K, F-59000 Lille, France}

\author{\firstname{Cl\'{e}mence}\nobreakauthor\lastname{Simon}\CDRorcid{0000-0002-1368-9551}}
\address{Univ. Lille, CNRS, UMR 8576 - UGSF, Unit\'e de Glycobiologie
Structurale et Fonctionnelle, F-59000 Lille, France}

\author{\firstname{Luba} \lastname{Elliott}}
\address{elluba.com}

\author{\firstname{Emmanuel} \lastname{Courtade}\CDRorcid{0000-0002-2748-7643}}
\addressSameAs{2}{Univ. Lille, CNRS, UMR 8523 -- PhLAM, Physique des Lasers, 
Atomes et Mol\'ecules, F-59000 Lille, France}

\author{\firstname{Christophe} \lastname{Biot}\CDRorcid{0000-0002-7396-1959}}
\addressSameAs{4}{Univ. Lille, CNRS, UMR 8576 - UGSF, Unit\'e de Glycobiologie
Structurale et Fonctionnelle, F-59000 Lille, France}

\author{\firstname{Pierre}\nobreakauthor\lastname{Pauze}\IsCorresp\IsEqualContrib}
\address{pierrepauze.com}
\email[P. Pauze]{pierrepauze@hotmail.com}

\author{\firstname{Corentin} \lastname{Spriet}\CDRorcid{0000-0002-5805-3426}\IsCorresp\IsEqualContrib}
\addressSameAs{1}{Univ. Lille, CNRS, Inserm, CHU Lille, Institut Pasteur de Lille, 
US 41 - UAR 2014 - PLBS, F-59000 Lille, France}
\addressSameAs{4}{Univ. Lille, CNRS, UMR 8576 - UGSF, Unit\'e de Glycobiologie
Structurale et Fonctionnelle, F-59000 Lille, France}
\email[C. Spriet]{corentin.spriet@univ-lille.fr}

\shortrunauthors

\keywords{\kwd{Art--science}\kwd{Decentralized science}\kwd{Digital drugs}\kwd{Chemistry}\kwd{Artificial intelligence}\kwd{Blockchain}\kwd{Ethereum}}

\altkeywords{\kwd{Art-science}\kwd{Science d\'{e}centralis\'{e}e}\kwd{Drogues digitales}\kwd{Chimie}\kwd{Intelligence artificielle}\kwd{Blockchain}\kwd{Ethereum}}

\def\thanksname{Note}
\thanks{As speakers at the scientific sessions of the GDR ChemBio in
Strasbourg, we had the privilege of being invited to participate in the
special edition of the Comptes Rendus Chimie on Chemical Biology at
Strasbourg 2023.}

\begin{abstract}
In 2023, the xSublimatio project showcased a fusion of art and science,
presenting an interactive platform where molecules were transformed
into digital artworks within the blockchain. This innovative concept
leveraged advanced artificial intelligence predictions to bridge
empirical precision with creative expression, offering a unique
exploration of scientific data through artistic interpretation.

The creation of xSublimatio involved meticulous selection and
representation of molecules, blending scientific accuracy with
aesthetic appeal.\ Through AlphaFold-inspired insights, the project
reimagined molecular design, transcending traditional boundaries.

During its presentation at the GDR ChemBio conference in Strasbourg,
xSublimatio sparked \mbox{insightful} discussions within the French
chemistry community.\ This article explores its technical
implementation, its potential for introducing blockchain and
non-fungible token concepts to diverse communities, and its broader
implications for interdisciplinary collaboration and decentralized
\mbox{science}.
\end{abstract}

\begin{altabstract}
Le projet arts et sciences intitul\'{e} xSublimatio, offre depuis 2023
une plateforme interactive o\`{u} les mol\'{e}cules sont
transform\'{e}es num\'{e}riquement en {\oe}uvres d'art au sein de la
blockchain. En exploitant les pr\'{e}dictions de l'intelligence
artificielle, le projet combine de la pr\'{e}cision empirique avec
l'expression cr\'{e}ative, facilitant une exploration des donn\'{e}es
scientifiques par le biais de l'interpr\'{e}tation artistique. 

Le d\'{e}veloppement de xSublimatio a n\'{e}cessit\'{e} une s\'{e}lection
minutieuse et une repr\'{e}sentation des mol\'{e}cules, int\'{e}grant
la rigueur scientifique d'Alphafold avec l'attrait esth\'{e}tique. Sa
pr\'{e}sentation lors de la conf\'{e}rence GDR ChemBio \`{a} Strasbourg
a suscit\'{e} des discussions \'{e}clairantes au sein de la
communaut\'{e} de ch\'{e}mobiologie fran\c{c}aise. 

Dans cet article, nous pr\'{e}sentons sa mise en {\oe}uvre technique, son potentiel \`{a}
introduire les concepts de blockchain et de NFT \`{a} un public plus
large et plus largement \`{a} promouvoir les collaborations
interdisciplinaires et la science d\'{e}centralis\'{e}e.
\end{altabstract}

\maketitle

\twocolumngrid

\end{noXML}

\section{Introduction} \label{sec1}
\subsection{Arts--sciences} \label{sec1.1}

Arts and sciences, though conventionally perceived as disparate
domains, exhibit intriguing intersections and shared principles. This
duality of creative expression and empirical inquiry has been a subject
of exploration in works such as Snow's \textit{The Two Cultures}
(1959)~\cite{1}, which highlights the cultural and intellectual divide
between the sciences and the humanities. The idea that arts and sciences
complement each other finds resonance in the writings of Steven Pinker,
particularly in \textit{The Blank Slate} (2002)~\cite{2,3}, where he
explores the interconnectedness of human nature, creativity, and
scientific discovery. These works contribute to the understanding that
despite apparent distinctions, arts and sciences often converge, shaping
a nuanced and symbiotic \mbox{relationship}~\cite{4}.

``Art--science alliances must benefit both sides'', declares an
editorial in the 2021 edition of the journal \textit{Nature}. According
to a survey involving 350 researchers, 40\% have already engaged in
collaborative projects with artists and the remaining respondents
express an interest in future collaborations~\cite{5}.

The surge in collaborations between artists and scientists has never
been more fruitful, marking a scientific turning point in the art
world. This shift has led to a proliferation of partnerships between
artists and scientists, echoing a historical relationship dating back
to the Renaissance. Erwin Panofsky, the historian, noted that ``many
elements later categorized as `natural sciences' originated in
artists' studios during this period''~\cite{6}. Artists focused on
observing and accurately describing natural elements, contributing to
the emergence of observational sciences like botany, zoology, and
biology.

Major institutions in Arts and Sciences have since been established in
the United States and Europe, such as the founding of the Center for
Advanced Visual Studies (CAVS) at the Massachusetts Institute of
Technology (MIT) in 1967~\cite{7}. Artistic currents such as bioart, to
which artist Eduardo Kac contributed, are no longer sufficient to
characterize the development of Arts and Sciences practices, whose
subjects of study have diversified considerably. In recent years, there
has been a significant expansion into areas such as data visualization,
virtual reality, and synthetic biology, reflecting the evolving
\mbox{intersections} of technology, science, and artistic expression.
To follow the evolution of these practices, historians prefer to rely
on specialized platforms such as Leonardo/Olats~\cite{8} or to observe
the many institutional schemes that offer artists residencies in
research laboratories every year, reinforcing artistic and scientific
cooperation as CERN does~\cite{9} or as many universities in Europe and
the United States do. These residencies not only provide artists with
access to cutting-edge scientific tools and methodologies but also
encourage scientists to view their work through new cultural and
philosophical lenses, allowing a truly interdisciplinary dialogue.
Projects like \textit{Little AI} illustrate how artificial intelligence (AI)
and blockchain intersect to simulate natural observation~\cite{10}
while \textit{Under the GAN: Quantum} blends AI and generative art with
quantum concepts~\cite{11}. Additionally, artists like Agoria~\cite{12}
have explored the intersection of generative bioart and AI, raising
questions about the scientific accuracy and artistic expression in this
emerging field. As Antonio Somaini~\cite{13} analyzes, artists' uses of
AI have evolved from mere creative tools to subjects of critical
exploration, tackling deeper themes such as ethics, agency, and the
role of human creativity in an increasingly automated world, providing
essential frameworks for understanding these interdisciplinary{\break}
experiments.

In the past decade, AI has been rising in popularity as a tool and
subject matter among artists. Beginning with DeepDream~\cite{14} in
2015, moving on to generative adversarial networks (GANs)~\cite{15} in 2017, 
and most recently
text-to-image models~\cite{16} in 2021, artists such as Memo Akten,
Mario Klingemann, and Sofia Crespo have been working closely with the
latest AI developments, particularly with generative models, which
enable artists to create new visions of the human form, nature, and
abstractions. Another group of artists including Adam Harvey, Tom White,
and Gretchen Andrew have been exploring the limitations of technology,
investigating the essence of visual representation, hiding faces from
facial recognition, and breaking the patterns of recommendation systems.
What makes xSublimatio stand out in the AI-based artistic project is
the choice to work with AlphaFold, a bioinformatic technology and
dataset not primarily designed for artists, which makes its creative
application all the more unusual in a field dominated by GANs and
text-to-image models. 

\subsection{xSublimatio genesis} \label{sec1.2}

xSublimatio, by Pierre Pauze and collaborators, is \mbox{articulated}
as the product of a dialogue among art, \mbox{science}, and technology.
By employing scientific images resulting from collaborations between
artists and researchers, it contributes to the development of objects
and forms whose identity surpasses disciplinary boundaries, fostering a
hybridization of{\break} knowledge.

Since 2018, artist Pierre Pauze has been exploring the chemical
processes behind the emotion of love. In 2019, he produced a film
titled \textit{Please Love Party}, first presented at the Fresnoy---Studio
national des arts contemporains (Tourcoing, France)~\cite{17}. The film
depicts a scientific study wherein participants are invited to test the
effectiveness of a treatment designed to induce happiness and
well-being. Pauze collaborated with researchers in biology, physics,
and chemistry from the University of Lille.

For the viewer, the film resembles a clinical trial: a placebo is given
to the first group while the second receives the treatment resulting
from the collaboration between the artist and the researchers.
Laboratory images showing scientists at work intertwine with footage
shot in the exhibition space. The experiment continues in a powerful
musical and auditory context accompanied by a lighting system
operating at a specific frequency, compelling the ``guinea pigs'' to
dance regardless of their emotions after ingesting the substance. This
film raises several questions: How can the imagination of scientific
work impact the artistic process? How can the knowledge of chemists or
microscopists contribute to artistic endeavors? Can a scientific
experiment be conducted in a museum setting and open up to the artistic
community? Lastly, how can we reconsider the concept of placebo
or, in other words, the impact of scientific methods and tools on
validating experiences?

xSublimatio aligns itself with these questions while expanding on the
subject through digital molecules circulating on the blockchain
(non-fungible tokens [NFTs]). This project brings chemistry and art
together to invent new forms of collaboration through the digital
visualization of molecules with the assistance of AI. NFT collectors,
whether from the scientific or the artistic community, are invited to
combine virtual molecules to discover formulas related to the feeling
of love.

Beyond the potential discoveries that this project may yield, both
artistically and scientifically, \mbox{xSublimatio} takes its place in
the rich history of Arts and Sciences practices with multifaceted
objectives: inventing new artistic forms, encouraging researchers and
artists to expand their practices and inquiries, approaching a subject
with alternative methodological tools, and addressing broader
communities to open up research to the public.

\subsection{Blockchain and crypto concepts} \label{sec1.3}

In the realm of xSublimatio, understanding basic blockchain and crypto
concepts is paramount. In its essence, blockchain~\cite{18} is a
decentralized digital ledger technology that records transactions
across multiple computers in a tamper-resistant and transparent manner. 
Ethereum~\cite{19}, a prominent blockchain platform, extends this
functionality by allowing developers to build decentralized
applications and smart contracts.

A key component of Ethereum-based projects like xSublimatio is the
NFT~\cite{20}. Unlike cryptocurrencies such as Bitcoin or Ethereum,
which are fungible and can be exchanged on a one-to-one basis, NFTs are
unique digital assets representing ownership or proof of authenticity
of a particular item or piece of \mbox{content}.

Smart contracts~\cite{21}, integral to Ethereum's ecosystem, are
self-executing contracts with the terms of the agreement directly
written into code. They facilitate the creation, exchange, and
management of NFTs representing digital molecules and drugs.

Lastly, a wallet~\cite{22} is a digital tool that allows users to
store, send, and receive cryptocurrencies and NFTs securely. In the
context of xSublimatio, a wallet serves as a digital container for
holding NFTs representing molecules and drugs, providing users with
control over their digital assets.

\section{Materials and methods} \label{sec2}
\subsection{Generation of on-chain NFTs} \label{sec2.1}

xSublimatio employs the Ethereum blockchain as its platform alongside
computer programs and generative AI models as image generators. The
smart contract~\cite{23} serves as both an artistic and a logistical
medium (the medium is the message). All necessary information related
to the project's scientific data is stored (encapsulated) within the
smart contract. This includes the names of molecules, their visual
properties, and the drugs that can be manufactured with them. Thus,
following the doctrine ``the code is law'', it is impossible to err in
the compositions of drugs or to modify the compositions and rules of
the game retroactively. During minting (NFT generation), the smart
contract activates various processes that randomly generate a molecule,
including its nature (H$_{2}$O, caffeine, etc.), shape, and aesthetic
properties. Each molecule is unique with distinct color and shape
traits.

The code for generating molecular shapes comes from the Processing
software~\cite{24}.\ Processing, formerly spelled Processing, is an
open-source development environment (under the GNU General Public
License) created by Benjamin Fry and Casey Reas, two American artists.
Processing is the multimedia extension of Design by Numbers, the
graphic programming environment developed by John Maeda at the MIT
Media Lab.\ Thus, the smart contract randomly assigns data that
activates the Processing code carefully crafted by the creative coder
Samuele Bonaffino. Molecular structures are\ .obj files in the input to
the program, which processes vertices and builds the molecule, altering
the structure based on the properties associated with the seed.\ The\
.obj files are obtained using the programs Avogadro and Blender.
Avogadro is used to build the 3D structure of the molecules and Blender
to center the origin of the 3D model.

This code assigns molecule color, background, and animating shapes,
integrating scientifically accurate molecular representations into the
sublimation code.

During minting, the smart contract information activates the Processing
code, which requires computing power (potentially from the user's
computer performing the minting). However, in the case of the
xSublimatio project, we leverage computing power from Amazon Web Services
to ensure that the
user experience is as fast as possible. The molecules are then
available in the user's wallet. For drug manufacturing, when multiple
molecules correspond to a drug's composition, the person who owns them
in their wallet can trigger a merging action to create the protein
representing the drug. The 3D structures of proteins are extracted from
AlphaFold and processed through the Blender software~\cite{25}.

\subsection{Selection of drugs and active principles:{\hfill\break}
defining numbers} \label{sec2.2}

We compiled a diverse range of drugs and their associated active
principles, aiming for authenticity in representing molecules involved
in drug effects while maintaining engaging characteristics. This
included both illicit substances like cannabis, heroin, and cocaine and
licit substances such as nicotine, alcohol, and medications. Stimulants
like caffeine, cocaine, and amphetamines, depressants like alcohol and
opioids, hallucinogens like LSD, and neuroleptics like cannabidiol
(CBD) were considered. The selection process involved extensive
bibliographic research to choose representative molecules, resulting in
63 unique active principles forming up to 19 drugs with a maximum of 9
different active principles. This included drugs from various origins,
such as natural extracts and laboratory synthesis, as well as a
distinct category for the artistic drug exemplified by the LOVE elixir
developed in Pierre Pauze's earlier production. With the variations and
attributes considered, this process resulted in the creation of 5748
active ingredient NFTs and 1134 drug molecule NFTs, allowing for a
potential of 1149 boosters containing 5 active ingredient NFTs each.
The details are available as Supplementary Tables~1--3. To illustrate
this process, here is the example of mate. We decided that a maximum of
121 mate NFTs can be created. The mate recipe comprises three active
principles, two specific ones being caffeine and theobromine.
Therefore, we created 121 molecules of each. Additionally, 121 water
molecules were required. All these ingredients are available in booster
packs of 5 NFTs and can be exchanged and destroyed to create in the end
a maximum of 121 adenosine receptor molecules, which illustrate the
mate drug molecule NFTs.

\section{Results} \label{sec3}

Over 7 months, the xSublimatio interdisciplinary team comprising PhD
scientists worked alongside a 2D generative artist, a 3D artist, a
Solidity developer, a graphic designer, and a project coordinator.\ 
Their collective expertise and dedication fueled the project's
evolution from conceptualization to \mbox{realization}. To establish
the exchange system envisioned for xSublimatio, several key steps were
necessary. The goal was to create a platform where users can exchange
representations of molecules, selected from certain active principles,
and combine them to form representations of drugs depicted by a protein
from the drug-activated pathway distorted by an artistic effect
simulating its impact. The complete collection minted is available on
chain on the OpenSea website~\cite{26}. Figure~\ref{fig1} succinctly
illustrates the various aspects, actors, and principles that constitute
xSublimatio. We detail the major aspects throughout this
\mbox{section}.

\begin{figure*}
{\vspace*{-3pt}}
\includegraphics{fig01}
{\vspace*{-3pt}}
\bcaption{\label{fig1}Creating and using the Ketaverse to generate 5748
active principles and 1134 drugs. (A)~The Ketaverse is the set of
molecules and drugs that can be generated with xSublimatio. It is based
on the smart contract, a locked code that brings together all the
information required for the random generation of these NFTs, including
the 3D chemical structures of the active principles (yellow
insert), their backgrounds (pink insert), and the NFT parameters
(cyan insert).}{0}{ The most representative active principles of
psychotropic drugs have been successively processed by AI (red hexagon)
and/or software (green hexagons) to obtain their 3D structure from
their chemical formula. The NFTs' backgrounds are made up of wave
models first created by graphic designers (orange quadrilateral) 
and then altered using computer programs (blue hexagons) to generate a
collection of aesthetic characteristics. The NFT parameters are
determined using spreadsheets available in the appendix. These datasets
are manipulated by a computer program, Processing, to randomly generate
5748 unique NFTs for the active principles, each with a unique
signature encapsulated in its own sub-smart contract. With the
exception of the bibliographic research, the design of the wave models
(pentagons), and the definition of the basic NFT parameters, each NFT
generation stage is autonomous. (B) The Ketaverse involves
(1)~collecting molecules such as methamphetamine, water, and cocaine in
order to generate and mine unique NFTs at random. (1.a)~These molecules
are selected on the Ethereum blockchain, purchased, and (1.b)~after
being mined, they join the buyer's NFT wallet. The collection opens up
the possibility of (2)~cooking these molecules, fusing them together to
form drugs. To do this, (2.a)~the sub-smart contract intrinsic to each
molecule is interrogated by the Processing computer program to
determine whether the recipe proposed by the user meets the required
conditions. If this is the case, as in the case of the
``methamphetamines ${+}$ water'' combination, (2.b)~Processing then
triggers a random fusion of the characteristics of the active
principles, again generating a sub-smart contract, and the AlphaFold AI
is used to represent the neo-synthesized drug in 3D. (2.c)~What is more,
since water is a deflationary token, each drug generated leads to the
destruction of the water molecules involved in the reaction. The
Ketaverse therefore leads to (3)~dealing in art so that everyone can
add to their collection in their own way.}
\end{figure*}

\subsection{Selection of drugs and active principles} \label{sec3.1}

A crucial initial step involved compiling a list of drugs of various
types along with their associated active principles. These selections
had to not only reflect molecules genuinely involved in the drugs'
effects but also be engaging and playful with evocative names and
visually appealing forms. Drugs encompass any substance known as
psychotropic or psychoactive, disrupting the central nervous system's
functions (sensations, perceptions, moods, feelings, motor skills) or
altering states of consciousness, behavior, or psychological
functions~\cite{27}. The term ``drugs'' encompasses substances
considered ``illicit'', such as cannabis, heroin, and cocaine, as well
as ``licit'' substances like nicotine, alcohol, and \mbox{medications}.

Among drugs, stimulants accelerate the nervous system's functions
including caffeine, cocaine, ecstasy, and amphetamines. Depressants, on
the other hand, slow down functional activity and motor coordination
with anxiolytic, hypnotic, and sedative effects.\ Well-known
depressants include alcohol, opioids, and narcotics.\ Hallucinogens,
such as LSD and hallucinogenic mushrooms (salvinorin, scopolamine,
etc.), disrupt the nervous system's functions, inducing hallucinations.
Finally, neuroleptics (also known as antipsychotics), such as CBD, are
medications used for their major tranquilizing and antidelirium
effects. Cannabis, notably the tetrahydrocannabinol it contains,
intersects with stimulants, depressants, hallucinogens, and
neuroleptics.

For our study, we opted to explore a broad spectrum of drugs known to
the general public, notably due to their presence in popular culture.\ 
Their \mbox{nature} ranges from synthetic drugs to natural extracts
from mushrooms, plants, and plant mixtures.\ We also sought drugs from
various geographical origins, including local examples like belladonna,
wild lettuce, and mandrake. Extensive bibliographic research was
conducted to select the most representative drug molecules. We chose to
represent these drugs by one of the proteins involved in their action,
based on criteria encompassing both scientific and aesthetic
considerations. A concise table detailing the molecules used is
available as Supplementary \mbox{Tables}~1--3.

In addition to being representative of effects, the project's drugs
were selected from various origins. This could be natural, with
molecules extracted from a plant or fungus, in a nearly raw state or as
part of a plant mixture. Otherwise, they could be synthetic, 
with molecules entirely synthesized
in the laboratory from chemicals. Finally, a distinct class, the
artistic drug, revolves around the synthesis of the LOVE elixir, a
potent psychotropic love potion previously developed in Pierre Pauze's
earlier production, and that follows no scientific rules.

\subsection{Choice of representation modes} \label{sec3.2}

A clear distinction was meticulously crafted between active principles
and their associated proteins. It was imperative that each element be
represented uniquely and distinctly, allowing users to readily discern
the components of their creations and differentiate between active
principles and final drugs.

For the active principles, a classical 3D molecular representation
commonly employed in chemistry was selected (Figure~\ref{fig2}A--B,
D--E). This representation meticulously depicts each atom of the
molecules, ensuring precision and clarity in visualizing molecular
structures. In contrast, leveraging cutting-edge AI technologies, the
project harnesses AlphaFold~\cite{28} to generate intricate models of
proteins representing drugs (Figure~\ref{fig2}C,~F). This approach
enables the creation of highly detailed and accurate representations,
enriching the user experience and facilitating deeper insights into the
molecular compositions of the drugs. The use of AlphaFold instead of
more accurate experiment based 3D structures like Protein Data
Bank~\cite{29,30} and molecular dynamics~\cite{31} that provide
information about atomic dynamics and conformational changes was
driven by two primary~objectives. First, it aimed to facilitate
discussions with the general public regarding the impacts of AI on
biological research. Second, this choice serves as a catalyst for
engaging the public in conversations about the evolving landscape of
biological research and the profound implications of AI-driven
methodologies in everyday life.

\begin{figure*}
\includegraphics{fig02}
{\vspace*{.3pc}}
\caption{\label{fig2}Elements of methamphetamine drug creation:
scientific and xSublimatio's points of view. To create the
``methamphetamine drug'', two active principles are required. A generic
one, H$_{2}$O~(A), and a specific one, methamphetamine~(B), both
represented as stick 3D models using Chem3D software, each color
corresponding to a different atom. If gathered and mixed, they will be
fused in a representation of trace amine-associated receptor (TAAR1)
protein~(C), which is a high-affinity receptor for methamphetamine
mediating some of its cellular effects. Its structure and
representation are generated through AlphaFold. The color code
represents a per-residue model confidence score (pLDDT): ${&lt;}$50\% is
depicted in orange
while ${&gt;}$90\% is represented in deep blue.
(D--F)~are the equivalent of one among xSublimatio representations of
the corresponding molecules.}
\end{figure*}

\subsection{Diversity and accessibility} \label{sec3.3}

The xSublimatio project aimed to offer users a diverse selection of
active principles and drugs, ensuring inclusivity and engagement across
various user demographics. This diversity encompassed a spectrum of
active principles, ranging from commonly found compounds to more
uncommon elements, catering to both occasional users and dedicated
collectors. The selection process prioritized each ingredient's unique
attributes, ensuring that every offering within the xSublimatio
platform provided an enriching and distinctive experience.

Upon selecting the NFT type, whether representing an active principle
or a drug, and defining the molecule's name, the NFT creation process
unfolded on the blockchain. This process involved generating NFTs with
a range of variable parameters designed to imbue each NFT with unique
attributes and \mbox{aesthetics}. These parameters comprised seven
distinct traits and four variables, each capable of assuming values of
varying rarity, thereby contributing to the creation of visually
captivating NFTs with varying degrees of scarcity.

Figure~\ref{fig3}A illustrates an example of an NFT showcasing the
attributes and associated representation of a water molecule. In
Figure~\ref{fig3}B, four additional iterations of water molecule NFTs
showcase diverse aesthetic possibilities, each crafted with precision.

\begin{figure*}
\includegraphics{fig03}
\caption{\label{fig3}Representation of water molecule NFTs.\ (A)~An
exemplar NFT demonstrating the attributes and associated representation
of a water molecule, showcasing the intricate details encoded within
the blockchain.\
(B)~Four additional iterations of water molecule NFTs, illustrating
diverse aesthetic possibilities. Each iteration represents a unique
digital asset within the xSublimatio ecosystem.}
{\vspace*{-.15pc}}
\end{figure*}

Behind the scenes, the intricate details governing NFT generation were
rigorously described within the ``XSublimatioHelpers.ts'' file of the
smart contract. This file served as the backbone of the xSublimatio
ecosystem, encapsulating the algorithms and parameters that breathe
life into each NFT, transforming them into unique digital assets within
the blockchain.\vspace*{-.15pc}

\subsection{Shaping a dynamic marketplace and{\hfill\break} conceptual
paradigm} \label{sec3.4}

Beyond its artistic allure, xSublimatio stands as a dynamic marketplace
and conceptual paradigm. Inviting NFT art collectors to engage in
virtual drug synthesis, molecule trading, and market strategy, the
project challenges conventional notions of value and ownership in the
digital realm. As molecules transition into drugs and artworks, the
project's deflationary token system mirrors real-world resource
dynamics, infusing each interaction with a sense of scarcity and
transformation.

\section{Discussion} \label{sec4}

The xSublimatio project although rooted in the realms of chemistry and
art, prompted a broader spectrum of inquiries and discussions that
extend beyond the traditional preoccupations of both fields. This
expansion highlights the project's capacity to serve as a platform for
interdisciplinary dialogue and innovation.

\subsection{Engaging young audiences through the lens of popular
culture} \label{sec4.1}

The TV series \textit{Breaking Bad} has left an indelible mark on popular
culture, particularly in its \mbox{depiction} of chemistry and drug
synthesis. It captivated a wide range of viewers, many of whom were
intrigued by the scientific aspects presented in a dramatic narrative.
Drawing parallels from this, xSublimatio harnesses a similar approach
by intertwining the allure of chemistry with the engaging world of art
and technology. The project's exploration of chemical processes related
to human emotions, particularly love, is presented in a manner akin to
the compelling storytelling found in \textit{Breaking Bad}. Just as the TV
show used the theme of drug synthesis to explore complex characters and
narratives, xSublimatio uses the concept of synthesizing molecules
related to emotions to delve into the intricate relationship among art,
science, and technology. This approach adds a layer of excitement and
intrigue, making the science more accessible and engaging to a
younger{\break} demographic.

Furthermore, the discussion surrounding the ethical and societal
implications of drug synthesis in \textit{Breaking Bad} provides a platform
for xSublimatio to address similar themes in a responsible and
educational manner. By using the allure and controversy associated with
the subject, xSublimatio can engage younger audiences in critical
conversations about the role of science in society, the ethical
considerations of chemical research, and the impact of scientific
communication, pseudosciences, and technology on our daily lives. 

It is important to note that xSublimatio is part of a broader artistic
approach led by Pierre Pauze. Another major project of his, \textit{Please Love
Party}~\cite{17}, not only explored the chemical processes behind human
emotions through an experimental film but also actively involved
participants in ethical considerations related to scientific practices.
This project encouraged reflection on the veracity of scientific facts
by inviting viewers, particularly students, to engage with a simulation
where a treatment purported to induce happiness was tested. In addition
to raising awareness about scientific integrity, this setting
facilitated conversations around ethical dilemmas, misinformation, and
the societal impact of chemical \mbox{research}. This context enabled
discussions on topics such as fake news, the chemistry of emotions, and
the nature of molecules and proteins using the provocative theme of
drugs to capture attention in a playful yet educational way. This type
of approach, blending science and art, is also present in xSublimatio,
where digital molecules and NFTs serve as tools for accessible
scientific mediation.

\subsection{From aesthetics to scientific mediation} \label{sec4.2}

For chemists, the aesthetic dimension of xSublimatio has not only been
an avenue for exploring the visual representation of molecular
structures but has also references to pop culture and played a pivotal
role in scientific mediation. The visual appeal of the digital
molecules combined with the interactive nature of the NFT platform has
provided an engaging and accessible way to communicate complex
scientific concepts to a wider audience. Within the realm of
xSublimatio, the molecular insights furnished by AlphaFold cascade into
a novel dimension---artistic representation. AlphaFold's predictions,
typically used for scientific inquiry, are harnessed to generate visual
renditions of molecules that transcend the conventional boundaries of
representation. These AI-generated molecular structures serve as the
foundational canvas for xSublimatio's artistic interpretation, echoing
the essence of sublimation---a transition from the scientific to the
artistic and from the tangible to the transcendent. This aspect of the
project underscores the importance of aesthetics in making science more
approachable and understandable, thereby bridging the gap between
scientific communities and the general public.

\subsection{Blockchain, NFTs, and decentralized science: a new frontier}
\label{sec4.3}

The discussions at the end of the GDR ChemBio 2023 conference ventured
into the realms of blockchain technology~\cite{32,33} and NFTs, not
just as tools for artistic expression or scientific visualization but
as potential catalysts for affecting the scientific ecosystem
itself~\cite{34,35}. This discourse opened up possibilities for
leveraging decentralized technologies to address long-standing
challenges in scientific publishing and credential verification. The
concept of decentralized science (DeSci)~\cite{36} emerged as a focal
point, suggesting an innovative framework where blockchain could
facilitate more transparent, efficient, and accessible scientific
communication. In this context, blockchain's inherent properties of
immutability and transparency were discussed as potential solutions to
issues surrounding the reproducibility and validation of scientific
research. The implementation of blockchain could lead to a more open
and reliable system for publishing scientific findings, where results
and data are easily verifiable and permanently recorded~\cite{36,37}.

Moreover, the application of NFTs within xSublimatio brought to light
the potential for these digital assets to represent scientific
achievements or credentials in a secure and unforgeable manner. NFTs
could serve as digital certificates for academic accomplishments,
research contributions, and even participation in significant scientific
projects. This concept presents a novel approach to recognizing and
verifying academic and professional achievements in the scientific
community~\cite{38}.

The discussions underscored how blockchain technology and NFTs could
extend beyond their current applications, suggesting a future where
decentralized systems contribute to the integrity and advancement of
scientific research and education. The implications of such a shift are
profound, indicating a potential transformation in how scientific
knowledge is disseminated, accredited, and preserved.

\subsection{AI in the spotlight: from AlphaFold to{\hfill\break}
ChatGPT} \label{sec4.4}

The xSublimatio presentation held at the GDR ChemBio conference although
primarily focused on the intersection of art, chemistry, and blockchain
technology, also served as a catalyst for broader discussions on the
role of AI in research and education~\cite{39}. The use of AlphaFold in
xSublimatio's molecular design opened the door to these conversations,
highlighting the growing importance of other more generic AI tools,
such as ChatGPT~\cite{40}, in scientific and academic contexts.\ 
ChatGPT, with its advanced language processing capabilities, is seen as
a valuable tool for tasks ranging from literature review to hypothesis
generation. Its ability to synthesize and articulate complex
information has implications for accelerating research and fostering
innovative approaches in various scientific fields.

In the educational sphere, the conference highlighted how AI tools like
ChatGPT are revolutionizing teaching and learning. ChatGPT's role in
assisting with educational content, providing tutoring support has
become increasingly evident. The discussion at the conference touched
upon the importance of integrating these AI tools into educational
strategies to enhance learning experiences and prepare students for an
AI-augmented future. Furthermore, the impact of ChatGPT in the realm of
research was a significant point of discussion. Its utilization in the
writing and editing of academic articles represents a notable
advancement. For instance, in the case of this very article, ChatGPT
played a crucial role in harmonizing the writing styles of various
authors, who come from diverse backgrounds and possess different
writing proficiencies.\ This homogenization of style not only ensures
coherence and readability but also facilitates a more seamless
collaboration among researchers from various disciplines{\break} and
regions.

The conference discussions also delved into the ethical considerations
surrounding the use of AI in research and education. Issues such as
data privacy, the potential for misuse, and the need for responsible AI
governance were brought to the fore. These conversations highlighted
the necessity for ongoing dialogue and policy development to ensure AI
tools are used ethically and effectively.

\section{Conclusion} \label{sec5}

xSublimatio has served as a catalyst for exploring new territories at
the intersection of art, chemistry, and technology, pushing the limits
of creative and scientific collaboration. It has prompted chemists,
artists, and technologists alike to rethink their roles and the
boundaries of their disciplines. The project has not only contributed
to scientific mediation through aesthetic means but has also opened a
dialogue on the use of emerging technologies to innovate and improve
the broader scientific landscape. By integrating diverse fields such as
synthetic biology, blockchain technology, and interactive digital art,
xSublimatio has showcased the potential of interdisciplinary approaches
to generate novel insights and solutions. This exploration of AI,
DeSci, and digital credentials is just one example of how xSublimatio
has stimulated discussions that extend far beyond its initial artistic
and chemical inspirations, challenging traditional research paradigms
and paving the way for a future where art, science, and technology
coalesce to address complex challenges and explore new frontiers.
Furthermore, the project's collaborative framework has highlighted the
importance of ethical considerations in scientific innovation,
encouraging participants to reflect on the societal implications of
their work.

\section*{Declaration of interests}

The authors do not work for, advise, own shares in, or receive funds
from any organization that could benefit from this article, and have
declared no affiliations other than their research organizations.
However, Pierre Pauze, as the artist, author, and owner of the
artworks, receives a commission as outlined in the XSublimatio smart
contract.

\section*{Glossary}

\begin{inftab}
\fontsize{9.3}{11.3}\selectfont
\begin{tabular}{@{}ll}
\tbody
\parbox[t]{2cm}{\raggedright Artificial intelligence (AI)} &amp;
\parbox[t]{5.1cm}{\raggedright A branch of computer science focused on
creating machines that can perform tasks that typically require human
intelligence, such as learning, problem-solving, and
decision-making}\vspace*{7pt}\\

\parbox[t]{2cm}{\raggedright Amazon Web Services (AWS)} &amp;
\parbox[t]{5.1cm}{\raggedright A comprehensive cloud computing platform
provided by Amazon, offering a wide range of services including
computing power, storage, and machine learning tools}\vspace*{7pt}\\

\parbox[t]{2cm}{\raggedright Bitcoin} &amp;
\parbox[t]{4.95cm}{\raggedright The first and most well-known
cryptocurrency, introduced in 2008 by an anonymous person or group
known as Satoshi Nakamoto, based on a decentralized blockchain
ledger}\vspace*{7pt}\\

\parbox[t]{2cm}{\raggedright Blockchain} &amp;
\parbox[t]{4.95cm}{\raggedright A decentralized, distributed ledger
technology that records transactions in a secure, transparent, and
immutable way, commonly used for~cryptocurrencies and smart
contracts}\vspace*{9pt}\\

\parbox[t]{2cm}{\raggedright Crypto (Cryptocurrencies)} &amp;
\parbox[t]{5.1cm}{\raggedright Digital or virtual currencies that use
cryptography for secure financial transactions and are typically based
on decentralized blockchain technology. They function independently of
central banks, with prominent examples including Bitcoin and
Ethereum}\vspace*{8.7pt}\\

\parbox[t]{2cm}{\raggedright Decentralized applications (dApps)} &amp;
\parbox[t]{5.1cm}{\raggedright Applications that run on a blockchain or
peer-to-peer network without central control, often leveraging smart
contracts to function autonomously}\vspace*{6pt}\\

\parbox[t]{2cm}{\raggedright Decentralized science (DeSci)} &amp;
\parbox[t]{5.1cm}{\raggedright A movement that applies blockchain and
decentralized technologies to scientific research, aiming to
democratize funding, collaboration, and data sharing outside
traditional institutions}\vspace*{7.7pt}\\

\parbox[t]{2cm}{\raggedright DeepDream} &amp;
\parbox[t]{5cm}{\raggedright An image-generation algorithm created by
Google that uses a convolutional neural network to identify and enhance
patterns in images, often producing surreal, dream-like
visuals}\\

\inftabbreak

\parbox[t]{2cm}{\raggedright Ethereum} &amp; \parbox[t]{4.95cm}{\raggedright
A decentralized, open-source blockchain platform that enables
developers to create and deploy smart contracts and decentralized
applications (dApps), often associated with its native cryptocurrency
ether (ETH)}\vspace*{8.7pt}\\

\parbox[t]{2cm}{\raggedright Generative adversarial networks (GANs)} &amp;
\parbox[t]{4.95cm}{\raggedright A class of machine learning models
consisting of two networks---a generator and a discriminator---working
against each other to create realistic data (such as images or audio)
from random noise}\vspace*{10pt}\\

\parbox[t]{2cm}{\raggedright Generative models} &amp;
\parbox[t]{4.95cm}{\raggedright A type of model in machine learning that
generates new data instances similar to existing data, often used in
the creation of images, text, or music}\vspace*{10pt}\\

\parbox[t]{2cm}{\raggedright Minting (mint~NFTs)} &amp;
\parbox[t]{4.95cm}{\raggedright The process of creating or registering a
new non-fungible token (NFT) on a blockchain. When an NFT is minted, it
becomes a permanent digital asset that can be owned, bought, sold, and
traded. This process records the NFT's metadata (such as ownership and
transaction history) on the blockchain, making it tamper-proof and
verifiable}\vspace*{9.7pt}\\

\parbox[t]{2cm}{\raggedright Non-fungible tokens (NFTs)} &amp;
\parbox[t]{5cm}{\raggedright Unique digital assets stored on a
blockchain representing ownership of a specific item, such as artwork,
music, or virtual real estate, and are
non-interchangeable}\vspace*{8.7pt}\\

\parbox[t]{2cm}{\raggedright Smart contracts} &amp;
\parbox[t]{5cm}{\raggedright Self-executing contracts with the terms
of the agreement directly written into code, running on a blockchain,
automatically enforcing and executing agreements without
intermediaries}\vspace*{10pt}\\

\parbox[t]{2cm}{\raggedright Text-to-image models} &amp;
\parbox[t]{4.95cm}{\raggedright AI models that generate images from text
prompts, translating written descriptions into visual
representations}\vspace*{8.7pt}\\

\parbox[t]{2cm}{\raggedright Wallet (Cryptowallet)} &amp;
\parbox[t]{5cm}{\raggedright A digital tool or software that stores
the public and private keys needed to send, receive, and manage
cryptocurrencies and NFTs}
\end{tabular}
\end{inftab}

\back{}

\section*{Supplementary data}

Supporting information for this article is available on the journal's
website under \printDOI\ or from the author. 

\CDRsupplementaryTwotypes{supplementary-material}{\cdrattach{crchim-377-suppl.pdf}}

\reversemarginpar

\printbibliography
\refinput{crchim20240290-reference.tex}

\end{document}
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