Comptes Rendus Chimie

Nesrine Ben Ali

Asma Abdedayem

Hanen Nouri

Samia Ben-Ali

Cellulose extraction by biomass valorization of prickly pear seed waste

Selamawit Shiferaw Deffar

Anil Kumar

Anthony Muliwa

Njira Njira Pili

Timothy Omara

Bioethanol production from water hyacinth with isolated thermophilic microbial consortium from Kenya

Virginie Nachbaur

Firas Ayadi

Béatrice Foulon

Malick Jean

Valérie Pralong

Samuel Jouen

Comptes Rendus. Chimie
Supplementary material to the article available at:
https://doi.org/10.5802/crchim.306
Research article
A sustainable solvothermal process extracting
critical elements from Li-ion batteries
Virginie Nachbaur ,∗,a, Firas Ayadi a, Béatrice Foulon a, Malick Jean a, Valérie Pralong ,b
and Samuel Jouen ,∗,a
a GPM, Normandie Univ, UNIROUEN, INSA Rouen, CNRS, 76000 Rouen, France
b CRISMAT, Univ. Caen, ENSICAEN, CNRS, 14050 Caen, France
E-mails: virginie.nachbaur@univ-rouen.fr (V. Nachbaur),
samuel.jouen@univ-rouen.fr (S. Jouen)
Supplementary Figure S1. XRD pattern and
ICP analysis of pristine LCO.
∗Corresponding authors.
Supplementary Figure S2. XRD pattern and
ICP analysis of pristine NMC 111.
ISSN (electronic) : 1878-1543 https://comptes-rendus.academie-sciences.fr/chimie/
2 Virginie Nachbaur et al.
Supplementary Figure S3. XRD patterns and ICP analysis of Black Mass extracted from a Xiaomi battery.
Supplementary Figure S4. SEM image and EDX analysis of Black Mass extracted from a Xiaomi battery.


A sustainable solvothermal process extracting critical elements from Li-ion batteries

Crystalle Chardet

Sandra Serres

Corinne Payrastre

Jean-Marc Escudier

Béatrice Gerland

Functionalized oligonucleotides, synthetic catalysts as enzyme mimics

Nicolas Mouret

Vincent Tolassy

Freddie-Jeanne Richard

Male antennae of Armadillidium vulgare discriminate Wolbachia-infected females

Marie Lopez

Elisabetta Mileo

Eric Defrancq

Agnès Delmas

Boris  Vauzeilles

Dominique Guianvarc’h

Christophe Biot

Comptes Rendus
Chimie
Marie Lopez, Elisabetta Mileo, Eric Defrancq, Agnès Delmas, Boris Vauzeilles,
Dominique Guianvarc’h and Christophe Biot
Foreword—Breaking barriers in chemical biology: the innovative tour de force of
the ChemBio GDR
Volume 26, Special Issue S3 (2023), p. 5-8
Online since: 23 October 2024
Issue date: 13 February 2025
Part of Special Issue: Breaking Barriers in Chemical Biology – Toulouse 2022
Guest editors: Marie Lopez (CNRS-Univ. Montpellier-ENSCM, IBMM, Montpellier,
France), Elisabetta Mileo (Aix-Marseille Univ, CNRS, BIP, IMM, Marseille, France),
Eric Defrancq (Univ. Grenoble-Alpes-CNRS, DCM, Grenoble, France), Agnes Delmas
(CNRS, CBM, Orléans, France), Boris Vauzeilles (CNRS-Univ. Paris-Saclay, ICSN,
Gif-sur-Yvette, France), Dominique Guianvarch (CNRS-Univ. Paris-Saclay, ICMMO,
Orsay, France) and Christophe Biot (CNRS-Univ. Lille, UGSF, Lille, France)
https://doi.org/10.5802/crchim.257
This article is licensed under the
Creative Commons Attribution 4.0 International License.
http://creativecommons.org/licenses/by/4.0/
C EN T R E
MER S ENN E
The Comptes Rendus. Chimie are a member of the
Mersenne Center for open scientific publishing
www.centre-mersenne.org — e-ISSN : 1878-1543
Comptes Rendus
Chimie
2023, Vol. 26, Special Issue S3, p. 5-8
https://doi.org/10.5802/crchim.257
Foreword
Breaking Barriers in Chemical Biology – Toulouse 2022
Foreword—Breaking barriers in chemical biology:
the innovative tour de force of the ChemBio GDR
Marie Lopez ,∗,a, Elisabetta Mileo ,b, Eric Defrancq ,c, Agnès Delmas ,d,
Boris Vauzeilles ,e, Dominique Guianvarc’h ,f and Christophe Biot ,∗,g
a CNRS-Université de Montpellier-ENSCM UMR 5247, Institut des Biomolécules Max
Mousseron (IBMM), 34296 Montpellier, France
b Aix Marseille Univ, CNRS, BIP, Bioénergétique et Ingénierie des Protéines, IMM,
Marseille, France
c UMR 5250, Département de Chimie Moléculaire, Université Grenoble Alpes,
Grenoble, France
d CNRS UPR4301, Centre de biophysique Moléculaire (CBM), Orléans, France
e Université Paris-Saclay, CNRS, Institut de Chimie des Substances Naturelles, UPR
2301, 91198, Gif-sur-Yvette, France
f Université Paris-Saclay, CNRS, Institut de Chimie Moléculaire et des Matériaux
d’Orsay, UMR 8182, 91405, Orsay, France
g Université de Lille, CNRS, UMR 8576, UGSF, Unité de Glycobiologie Structurale et
Fonctionnelle (UGSF), F-59000, Lille, France
E-mails: marie.lopez@cnrs.fr (M. Lopez), emileo@imm.cnrs.fr (E. Mileo),
eric.defrancq@univ-grenoble-alpes.fr (E. Defrancq), agnes.delmas@cnrs-orleans.fr
(A. Delmas), boris.vauzeilles@cnrs.fr (B. Vauzeilles),
dominique.guianvarch@universite-paris-saclay.fr (D. Guianvarc’h),
christophe.biot@univ-lille.fr (C. Biot)
Abstract. Chemical Biology can be defined as the design and the development of molecular tools to
decipher or modulate biological processes of interest so that they can be better understood, controlled
or modified. It also consists in the observation and analysis of these molecular tools within, and in in-
teraction with, their complex biological environment. Chemical Biology can then lead to highly valu-
able basic knowledge and be applied in diverse fields such as health and environment. Therefore,
Chemical Biology has strong interactions with the design of therapeutic strategies, diagnosis, agro-
chemicals or Ecology.
Keywords. Interdisciplinary research, Molecular tools, Biological environment, Translational applica-
tions, Innovative strategies.
∗Corresponding authors
ISSN (electronic): 1878-1543 https://comptes-rendus.academie-sciences.fr/chimie/
6 Marie Lopez et al.
1. ChemBio GDR genesis
In 2018, the Deputy Scientific Director of the National
Centre for Scientific Research (CNRS) mandated us
to organize a scientific event to assess the expertise
of French scientific community in different research
and application areas of Chemical Biology, as part of
the scientific policy of the CNRS-Institute of Chem-
istry (INC) and the “Convergence Actions” program.
The events, called the Scientific Days of Chemical Bi-
ology, were held in Lille in 2018 and then Nice in
2020. It was an opportunity for a prospective re-
flection, which resulted in January 2021 in the cre-
ation of the GDR 2095—ChemBio directed by Pro-
fessor Christophe Biot (UGSF, Lille). The aim of the
ChemBio GDR is to bring together scientists from
the French Chemical Biology community, which in-
cludes about 80 laboratories and 600 members, mak-
ing it the second largest GDR supported by the CNRS-
INC. Aiming to support exchanges of scientific exper-
tise and skills for chemists and biologists, ChemBio
GDR is a fertile place for discussion leading to the
emergence of new key scientific questions.
Just after its creation, the first ChemBio GDR sci-
entific meeting was held in Grenoble in October
2021, and the second one took place in Toulouse in
June 2022. The upcoming scientific meetings will
be held in Strasbourg in June 2023 and in Bordeaux
in 2024. In addition to these annual days dedicated
to scientific exchange through oral, poster presenta-
tions, and round tables on various topics, the Chem-
Bio GDR supports and is closely associated to the
CNRS ChemBio thematic school directed by Profes-
sor Dominique Guianvarc’h (Paris Saclay University,
ICMMO). This intensive one-week formation was
first organized in November 2021 in Le Touquet. Due
to the success of the first edition, a second edition,
also supported by the ChemBio GDR, will be orga-
nized in November 2023.
At the same time, in September 2019, consider-
ing the importance and the impact of the French
Chemical Biology, the Thematic Group of Chémobi-
ologie (SCF-ChemBio) was created within the French
Chemical Society (SCF). This group currently has
more than 500 members and is presided by Dr. Boris
Vauzeilles (DR CNRS, ICSN). SCF-ChemBio collab-
orates with ChemBioChem (Chemistry Europe, Wi-
ley) and the International Chemical Biology Society
(ICBS) with which two e-symposia were co-organised
in April 2021 and July 2021. Besides, in 2021, SCF-
ChemBio also joined the European Federation for
Medicinal chemistry and Chemical biology (EFMC).
In 2021, SFBBM (French Society for Biochemistry and
Molecular Biology) has introduced a new session en-
titled “Chémobiologie” for its annual meeting that
takes place every early July.
2. ChemBio GDR objectives
The ChemBio GDR has several objectives aimed at
unifying Chemical Biology research in France and in-
creasing its visibility and recognition (Box 1). One
of the primary objectives is to connect researchers
and teams across the country and establish a network
that fosters the sharing of experiences, skills, and the
launch of new research dynamics. GDRs are valuable
coordination structures that have proven to be suc-
cessful for several years.
Collaboration is another strength of the ChemBio
GDR, and the complementary expertise and knowl-
edge of participating researchers and teams con-
tribute to the creation of fruitful collaborations and
international projects. The ChemBio GDR is also
involved in student training, including the organi-
zation of scientific workshops and on-site training
through its platforms. The ChemBio GDR supports
short-term scientific missions for PhD students be-
tween partner laboratories to acquire specific exper-
tise and/or techniques.
The ChemBio GDR has a further objective of in-
creasing awareness about technology transfer among
researchers, especially those who are at the early
stages of their careers.
Moreover, the ChemBio GDR also seeks to pro-
mote creativity and expand the borders of scientific
culture by promoting interactions between national
artists and ChemBio GDR researchers. This initiative
encourages innovative methods for the progression
of knowledge and subsequent transfer to society. By
exploring the aesthetic dimensions of Chemical Bi-
ology and evaluating the outcome from the perspec-
tive of the non-scientific community, members can
improve media diffusion practices and encourage a
shift in practices based on scientific challenges to-
wards the artistic community.
Marie Lopez et al. 7
Box 1—ChemBio GDR is articulated around 3 thematic axes
(1) Chemical targeting and modulation, understanding of biological processes: By developing molecular
tools that can scan and modulate biological processes of interest, researchers in Chemical Biology are
able to better understand and control those processes for a variety of applications.
(2) Chemical tools and molecular approaches: Using a range of chemical tools and molecular ap-
proaches, researchers in Chemical Biology are able to design and develop new compounds and ther-
apies for a wide range of applications, from drug discovery to agriculture.
(3) Physicochemical technologies: Advancements in physicochemical technologies enable researchers
in Chemical Biology to better study the complex interactions between molecules and biological
systems, leading to new discoveries and breakthroughs in a variety of fields.
3. 2nd ChemBio GDR scientific days
The 2nd ChemBio GDR Scientific Days took place on
June 8th and 9th, 2022 at the University of Toulouse
III. This 2022 edition was closely related to the annual
Chemistry–Biology–Health day in Toulouse, held on
June 10th, 2022, which demonstrated the impact of
chemical biology on the study and treatment of hu-
man diseases. The event had 148 registrations and
spanned two days and was the opportunity to at-
tend three plenary conferences, 14 lectures, 11 flash-
talks, and two poster sessions. This special edition of
“Comptes Rendus Chimie” is an opportunity to share
with the scientific community the multidisciplinary
research of the speakers who presented at this 2nd
ChemBio GDR Scientific Days.
In this special issue on French Chemical Biol-
ogy, we bring together a collection of cutting-edge
research articles and reviews that highlight recent
advances and exciting new directions in the field.
It should be emphasized that the selection for this
special issue was limited to the speakers who pre-
sented their work in Toulouse. Therefore, only the
articles/reviews from those speakers have been cho-
sen for publication.
Conflicts of interest
Authors have no conflict of interest to declare.
8 Marie Lopez et al.
Axis 1—Chemical targeting and modulation,
understanding of biological processes
Marie-Pierre Rols (Toulouse)
Hélène Munier-Lehmann (Paris)
Ludger Johannes (Paris)
Laurence Lafanechère (Grenoble)
Axis 2—Chemical tools and molecular ap-
proaches
Eric Defrancq (Grenoble)
Marie Lopez (Montpellier)
Sylvain Routier (Orléans)
Axis 3—Physicochemical technologies
Agnès Delmas (Orléans)
Carine Van-Heijenoort (Paris Saclay)
Vladimir Torbeev (Strasbourg)
Webmaster
Elisabetta Mileo (Marseille)
Jean-Marc Sache (Grenoble)
Web site
www.gdr.chemobiologie.cnrs.fr/


Foreword—Breaking barriers in chemical biology: the innovative tour de force of the ChemBio GDR

Alessio Nicolini

Biagio Anderlini

Fabrizio Roncaglia

Andrea Cornia

An efficient transition-metal-free route to oligo-$\alpha $-pyridylamines via fluoroarenes

Dung Nguyen

Marceau Levasseur

Juliette Segret

Jonathan Sorres

Téo Hebra

David Touboul

Véronique Eparvier

Comptes Rendus
Chimie
Supplementary material to the article available at:
https://doi.org/10.5802/crchim.259
Supplementary material: Identification of defensive
antimicrobial compounds from environmental
Serratia marcescens SNB-CN88 strain associated 
with macro-holobiont (termite nest) using a 
molecular network approach
Dung  Nguyena, Marceau Levasseura, Juliette Segreta, Jonathan Sorresa, Téo Hebraa,
David Touboul a, b and Véronique Eparvier ∗, a
a Université Paris-Saclay, CNRS, Institut de Chimie Des Substances Naturelles, 
UPR 2301, 91198 Gif-Sur-Yvette, France
b Laboratoire de Chimie Moléculaire (LCM), CNRS UMR 9168, École Polytechnique, 
Institut Polytechnique de Paris, 91128 Palaiseau, France
E-mails: dungnvp14@gmail.com (D. Nguyen), marceau.levasseur@cnrs.fr
(M. Levasseur), juliette.segret@cnrs.fr (J. Segret), jon.sorres@gmail.com (J. Sorres), 
teo.hebra@uochb.cas.cz; (T. Hebra), david.touboul@cnrs.fr (D. Touboul), 
veronique.eparvier@cnrs.fr (V. Eparvier)
Not yet published
∗Corresponding author.
ISSN (electronic) : 1878-1543 https://comptes-rendus.academie-sciences.fr/chimie/
2 Nguyen Dung et al.
Supplementary Table S1. Antimicrobial activities of SNB-CN88 fractions and sub-fractions
Fraction F2–F9 F10 F11 F12 F13 F14 F15 F16 F17 F18 F19
Quantity (mg) 346.4 46.7 34.6 76.5 90.7 257 467 165 76.5 26.2 586
MIC on MRSA (µg/mL) 512 128 512 256 128 32 32 64 128 32 512
SUB-FRACTION F14.A F14.B F14.C F14.D F14.E F14.F F14.G F15.A F15.B F15.C F15.D F15.E
Quantity (mg) 2.1 0.9 1.8 3.4 17.0 42.8 0.8 2.0 5.9 2.0 4.5 212.0
MIC on MRSA (µg/mL) 64 - 64 64 128 32 - 64 64 256 128 8
Supplementary Table S2. Molecule annotation in fractions F14.F and F15.E
F14.F + F15.E
[M+H]+ Error
(ppm)
RT
(min)
Formula Name Database Cosine
score
Annotation Ref.
1 559.3948 0.22 14.6 C29H54N2O8 Glucosamine derivative C Level 2 [30,31]
2 557.3794 −0.26 13.5 C29H52N2O8 Glucosamine derivative E Level 2 [30,31,32,33]
3 545.3793 0.72 13.8 C28H52N2O8 Glucosamine derivative F Level 2 [30,31,32,33]
4 531.3635 2.77 13.0 C27H50N2O8 Glucosamine derivative L Level 2 [30,31,34,35]
5 583.3946 4.37 14.8 C31H54N2O8 Glucosamine derivative H Level 2 [30,31,34,35]
6 585.4095 2.38 15.1 C31H56N2O8 Glucosamine derivative A Level 3 [30,31,34,35]
7 575.3899 0.44 12.9 C29H54N2O9 Glucosamine derivative D Level 2 [30,31,34,35]
8 571.3944 0.41 14.3 C30H54N2O8 Glucosamine derivative C + C Level 2
9 579.3634 2.32 12.7 C31H50N2O8 Glucosamine derivative C + 2C − 4H Level 2
10 601.4054 2.51 13.4 C32H60N2O8 Glucosamine derivative C + C3H6 Level 2
11 232.1177 0.35 13.6 C10H18NO5 2-Acetamidoglucal −C2H5 GNPS 0.88 Level 2 [30,31,32,33]
12 628.3911 −0.15 12.4 C30H53N5O9 Stephensiolide C Level 1 [30,31,34,35]
13 642.4069 1.64 13.1 C31H55N5O9 Stephensiolide D Level 2 [30,31,34,35]
640.3908 −0.68 12.6 C31H53N5O9 Stephensiolide D −2H Level 3 [30,31,34,35]
14 654.4066 −0.93 13.3 C32H55N5O9 Stephensiolide E Level 1 [30,31,34,35]
15 668.4224 −0.82 13.9 C33H57N5O9 Stephensiolide F Level 1 [30,31,34,35]
16 656.4223 −0.74 14.1 C32H57N5O9 Stephensiolide G Level 2 [30,31,34,35]
17 670.4375 0.91 14.7 C33H59N5O9 Stephensiolide I Level 2 [30,31,34,35]
18 656.4218 −1.63 13.8 C33H59N5O9 Stephensiolide R Level 2 [30,31,34,35]
19 682.4378 0.16 14.6 C34H59N5O9 Stephensiolide F −CH2 Level 2
20 666,4058 −2.22 13.9 C33H54N5O9 Stephensiolide F −2CH2 Level 2
21 642.4060 −2.02 13.2 C31H55N5O9 Stephensiolide Q Level 2 [30,31,34,35]
22 684.4167 −5.01 14.7 C34H61N5O9 Stephensiolide K Level 2 [30,31,34,35]
Nguyen Dung et al. 3
Supplementary Figure S1. Spectral comparison of compound 1 in cluster A and the compound in the
literature [31].
4 Nguyen Dung et al.
Supplementary Figure S2. Spectral comparison of compound 2 (B) and the compound in the literature
(A) [30].
Nguyen Dung et al. 5
Supplementary Figure S3. Spectral comparison of compound 3 (B) and the compound in the literature
(A) [30,31].
6 Nguyen Dung et al.
Supplementary Figure S4. Spectral comparison of compound 1 and 11.
Supplementary Figure S5. Fragmentation pathway of the A1 sugar fragment of metabolite 1 in cluster A.
Nguyen Dung et al. 7
Supplementary Figure S6. Fragmentation spectra and spectral comparisons of molecules 1 with 4–10.
The spectra of compound 1 in red.
8 Nguyen Dung et al.
Supplementary Figure S7. MS/MS fragmentation of 8, 9 and 10.
Supplementary Figure S8. Comparisons of the fragmentation spectra of molecules 1 (blue) and 11 (red).
Nguyen Dung et al. 9
Supplementary Figure S9. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide
C 12.
10 Nguyen Dung et al.
Supplementary Figure S10. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide D 13.
Nguyen Dung et al. 11
Supplementary Figure S11. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide
E 14.
12 Nguyen Dung et al.
Supplementary Figure S12. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide F 15.
Nguyen Dung et al. 13
Supplementary Figure S13. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide
G 16.
14 Nguyen Dung et al.
Supplementary Figure S14. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide
I 17.
Nguyen Dung et al. 15
Supplementary Figure S15. MS/MS Fragmentation spectra and spectral comparisons of Stephensiolide
R 18.
16 Nguyen Dung et al.
Supplementary Figure S16. MS/MS Fragmentation spectra and spectral comparisons of 19.
Nguyen Dung et al. 17
Supplementary Figure S17. MS/MS Fragmentation spectra and spectral comparisons of 20.
Supplementary Figure S18. Mass spectrum of compound 14.
18 Nguyen Dung et al.
Supplementary Figure S19. MS-MS Mass spectrum of compound 14.
Nguyen Dung et al. 19
Supplementary Table S3. NMR data of Stephensiolide E (DMSO-d6)
Position δC δH
Thr1 C=O 168.7
1 55.8 4.46, 1H, m
2 69.9 5.29, 1H, m
3 17.5 1.15, 3H, m
NH 7.94, d (9.3)
Ser2 C=O 170.5
1 54.6 4.25, 1H, m
2a 61.3 3.47, 1H, m
2b 3.51, 1H, m
NH 7.52, d (7.6)
Ser3 C=O 170.6
1 55.2 4.13, 1H, m
2a 59.7 3.52, 1H, m
2b 3.69, 1H, m
NH 7.84, d (7.6)
Val4 C=O 170.7
1 57.8 4.13, 1H, m
2 28.9 2.02, 1H, m
3 19.1 0.84, 3H, m
4 18.4 0.85, 3H, m
NH 7.72, d (7.3)
Val5 C=O 170.1
1 57.5 4.19, 1H, m
2 30.0 2.02, 1H, m
3 18.7 0.83, 3H, m
4 18.3 0.86, 3H, m
NH 8.39, d (6.4)
Acyl 1 172.9
2 34.9 2.27, 2H, m
3 25.4 1.59, 2H, m
4 26.3 2.02, 2H, m
5 128.9 5.36, 1H, m
6 130.1 5.35, 1H, m
7 26.6 1.99, 2H, m
8 29.1 1.29, 2H, m
9 28.3 1.25, 2H, m
10 31.1 1.24, 2H, m
11 22.0 1.25, 2H, m
12 13.9 0.85, 3H, m
20 Nguyen Dung et al.
Supplementary Figure S20. RMN 1H spectrum (DMSO-d6, 700 MHz) of the compound 14.
Supplementary Figure S21. RMN 13C spectrum (DMSO-d6, 175 MHz) of the compound 14.
Nguyen Dung et al. 21
Supplementary Figure S22. COSY spectrum (DMSO-d6, 700 MHz) of the compound 14.
22 Nguyen Dung et al.
Supplementary Figure S23. HSQC spectrum (DMSO-d6, 700 MHz) of the compound 14.
Nguyen Dung et al. 23
Supplementary Figure S24. HMBC spectrum (DMSO-d6, 700 MHz) of the compound 14.
24 Nguyen Dung et al.
Supplementary Figure S25. Mass spectrum of compound 15.
Supplementary Figure S26. RMN 1H spectrum (MeOD-d4, 700 MHz) of the compound 15.
Nguyen Dung et al. 25
Supplementary Figure S27. RMN 13C spectrum (MeOD-d4, 175 MHz) of the compound 15.
Supplementary Figure S28. COSY spectrum (MeOD-d4, 700 MHz) of compound 15.
26 Nguyen Dung et al.
Supplementary Figure S29. HSQC spectrum (MeOD-d4, 700 MHz) of compound 15.
Supplementary Figure S30. HMBC spectrum (MeOD-d4, 700 MHz) of compound 15.
Nguyen Dung et al. 27
Supplementary Table S4. NMR data of Stephensiolide F (MeOD-d4)
Position δC δH
Thr1 C=O 171.9
1 57.5 4.72, 1H, m
2 71.5 5.56, 1H, q (6.5)
3 19.7 1.29, 3H, m
NH 7.07, d (8.9)
Ser2 C=O 173.3
1 56.2 4.36, 1H, m
2 62.9 3.78, 2H, m
NH 7.28, d (7.2)
Ser3 C=O 173.3
1 56.1 4.36, 1H, m
2a 61.0 3.96, 1H, m
2b 3.82, 1H, m
NH 6.96, d (7.6)
Val4 C=O 170.7
1 57.8 4.24, 1H, t (8.9)
2 28.9 2.13, 2H, m
3 19.1 0.96, 3H, m
4 18.4 0.96, 3H, m
NH 7.12 d (8.9)
Ile5 C=O 172.5
1 59.8 4.24, 1H, t (6.8)
2 37.6 1.82, 1H, m
3a 27.0 1.51, 1H, m
3b 1.21, 1H, m
4 15.6 0.96, 3H, m
5 14.0 0.91, 3H, m
NH 6.96 d (6.8)
Acyl 1 176.9
2 34.9 2.36, 2H, m
3 23.6–36.6 1.71, 2H, m
4 23.6–36.6 1.29–1.38, 2H, m
5 129.6 5.42, 1H, m
6 131.9 5.41, 1H, m
7 23.6–36.6 1.29–1.38, 2H, m
8 23.6–36.6 1.29–1.38, 2H, m
9 23.6–36.6 1.29–1.38, 2H, m
10 23.6–36.6 1.29–1.38, 2H, m
11 23.6–36.6 1.29–1.38, 2H, m
12 13.9 0.96, 3H, m


Identification of defensive antimicrobial compounds from environmental Serratia marcescens SNB-CN88 strain associated with macro-holobiont (termite nest) using a molecular network approach

Anjélica Leconte

Nicolas Barthes

Bruno Buatois

Eugénie Coutagne

Henri Duval

Philippe Lucas

Michael Staudt

Comptes Rendus
Chimie
Supplementary material to the article available at:
https://doi.org/10.5802/crchim.241
Supplementary material: Volatile organic compound
emissions from almond shoots during
spring—dissociation between reproductive and
vegetative organs
Anjélica Leconte ∗, a, Nicolas Barthes a, Bruno Buatois a, Eugénie Coutagneb,
Henri Duval c, Philippe Lucas d andMichael Staudt a
a CEFE, CNRS, Univ Montpellier, EPHE, IRD, Montpellier, France
b Compagnie des amandes, Aix-en-Provence, France
c GAFL, INRAE, Montfavet, France
d iEES Paris, INRAE, Sorbonne Université, CNRS, UPEC, IRD, Université P7, Paris,
France
E-mails: anjelica.leconte@gmail.com (A. Leconte), nicolas.barthes@cefe.cnrs.fr
(N. Barthes), bruno.buatois@cefe.cnrs.fr (B. Buatois),
ec@compagniedesamandes.com (E. Coutagne), henri.duval@inrae.fr (H. Duval),
philippe.lucas@inrae.fr (P. Lucas), michael.staudt@cefe.cnrs.fr (M. Staudt)
Not yet published
Supplementary Figure S1. Simplified phenological stages in our experiments, inspired by Socias i Com-
pany et al. (2017) for an almond tree: flowering (left), young (middle) and mature (right).
∗Corresponding author.
ISSN (electronic) : 1878-1543 https://comptes-rendus.academie-sciences.fr/chimie/
2 Anjélica Leconte et al.
Supplementary Table S1. Parameters chosen in MZMine software to process the chromatograms and
obtain the area under the curve (AUC)
Parameter Value
Scan-by-scan filtering Round resampling filter
Crop filter m/z 38–350
Baseline correction module RollingBall baseline correction (wm = 100, ws = 12)
Mass detection parameters Centroid; noise = 4×102
ADAP chromatogram builder Min group size = 5; group intensity threshold = 102;
min highest intensity = 3×102; m/z tolerance = 0.3 or 1000 ppm
ADAP Chromatogram deconvolution S/N = 7; Wavelet Coeff. SN; min feature height = 200,
coefficient = 50; peak duration range: 0.02–0.6;
RT wavelet range = 0–0.05
MCR Spectral deconvolution parameter Window = 0.2; RT tolerance = 0.15; min peaks = 1
ADAP aligner Min confidence = 0.7; RT tolerance = 0.5 min;
m/z tolerance = 0.001 or 5 ppm; m/z score threshold = 0.75;
score weight = 0.1; RT difference (fast)
Supplementary Table S2. Pairwise comparisons between group levels with false discovery rate correc-
tion for the temperature model. Only factors with a significant effect on the model are presented
Variety R1004 R1568
R1568 0.003 -
R1569 0.152 0.13
Temperature 15 20 25 30 35
20 0.061 - - - -
25 0.107 0.853 - - -
30 0.003 0.061 0.061 - -
35 0.003 0.061 0.085 0.853 -
40 0.003 0.003 0.003 0.057 0.129
Branch composition Flower Flower-leaves
Flower-leaves 0.267 -
Fruit-leaves 0.0015 0.0015
Phenology Flowering Mature
Mature 0.001 -
Young 0.001 0.001
Anjélica Leconte et al. 3
Supplementary Figure S2. (A) Green leaf volatiles emitted at the start of the experiment regardless of
temperature and light effect. Emissions were given in ng·m−2·s−1 depending on the time. One time step
corresponds to 30 min of sampling. (B) Unknown SQT 6 emissions according to temperature.
4 Anjélica Leconte et al.
Supplementary Figure S3. Correlation and scores plot for the constrained components 1 and 2 in the
temperature model. The profile of VOC emissions from top to bottom depends on varieties, phenological
stage, and the composition of the measured branch.
Anjélica Leconte et al. 5
Supplementary Figure S4. Phenolic compounds emissions according to the temperature with error bars
(standard errors) for the fruit and leaf development. Emissions were summed by sample and averaged by
class.
Supplementary Table S3. Pairwise test with a false discovery rate correction for the effect with a signifi-
cant effect on the model. Variety and branch composition of VOC emissions are presented
Variety Lauranne R1004 R1568
R1004 0.002 - -
R1568 0.002 0.002 -
R1569 0.009 0.032 0.02
Branch composition Fruit Fruit-Leaves
Fruit-leaves 0.0015 -
Leaves 0.0015 0.009
6 Anjélica Leconte et al.
Supplementary Figure S5. Correlation and scores plot for the constrained components 3 and 4 in the
light model.


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