Chemical Science Symposium 2022

CHEMICAL SCIENCE SYMPOSIUM 2022 10-11 November 2022 London and online

CHEMICAL SCIENCE SYMPOSIUM 2022 What could sustainable synthesis and catalysis

make possible? 10-11 November 2022 London and online

Fundamental questions Elemental answers

CATALYZING GREEN CHEMISTRY & ENGINEERING IN THE GLOBAL PHARMACEUTICAL INDUSTRY & BEYOND Unrestricted access to ACS GCIPR toolbox & online training:

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2023 ACS GCIPR AWARDS: Nominations are open through December 16th!

Peter J. Dunn Award for Green Chemistry & Engineering Impact in the Pharmaceutical Industry Honoring green and sustainable chemistry achievements at meaningful scale in synthetic route design and associated processes for APIs or intermediates, reaction conditions and process technologies.

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Welcome from the Royal Society of Chemistry and Chemical Science Dear Colleagues, A warm welcome to the fourth in this series of Chemical Science Symposia. Dear Colleagues, A warm welcome to the fourth in this series of Chemical Science Symposia. This hybrid meeting is the next iteration in the Chemical Science symposia series. We are delighted to welcome delegates back to the headquarters of the Royal Society of Chemistry for face-to-face interaction, after two years of virtual meetings. In addition, this time we can look forward to a conversation enriched by the online participation of our international community. Under the banner of our flagship journal, Chemical Science , we are shining a spotlight on cutting- edge chemistry research and giving it the sort of attention that drives scientific progress and makes a difference. Each year, we aim to keep the same format for the Symposium to support networking and discussion, while changing the theme to reflect the latest research developments, ensuring we bring together leading researchers from around the world. We are also encouraging strong participation from early career scientists and future leaders, who will be the future of this discipline. We are dedicating significant time in the programme to our poster sessions, and we will hear from a selection of these scientists in our flash poster presentations. We strongly encourage all delegates to actively take part in these sessions. The Chemical Science Symposium also provides a way for our wider community to regularly stay in touch with the journal editors and fellow researchers across a broad range of topics in the chemical sciences. This years’ Symposium is focussed on the topic of Sustainable Synthesis and Catalysis . This hybrid meeting is the next iteration in the Chemical Science symposia series. We are delighted to welcome delegates back to the headquarters of the Royal Society of Chemistry for face-to-face interaction, after two years of virtual meetings. In addition, this time we can look forward to a conversation enriched by the online participation of our international community. Under the banner of our flagship journal, Chemical Science , we are shining a spotlight on cutting-edge chemistry research and giving it the sort of attention that drives scientific progress and makes a difference. Each year, we aim to keep the same format for the Symposium to support networking and discussion, while changing the theme to reflect the latest research developments, ensuring we bring together leading researchers from around the world. We are also encouraging strong participation from early career scientists and future leaders, who will be the future of this discipline. We are dedicating significant time in the programme to our poster sessions, and we will hear from a selection of these scientists in our flash poster presentations. We strongly encourage all delegates to actively take part in these sessions. The Chemical Science Symposium also provides a way for our wider community to regularly stay in touch with the journal editors and fellow researchers across a broad range of topics in the chemical sciences. This years’ Symposium is focussed on the topic of Sustainable Synthesis and Catalysis . We have a wide range of speakers in this Symposium who are all internationally recognised experts in aspects of synthesis and catalysis. Methods and topics that we will hear about will be varied such as asymmetric organocatalysis, photocatalysis, electrocatalysis and flow chemistry as well as using alternative feedstocks for more sustainable processes or harnessing the power of biology to design new biocatalysts for synthesis. We hope that the lectures and poster presentations will stimulate the exchange of ideas and experiences between all participants, setting a strong platform for discussion. We’d like to thank each of the speakers, poster presenters and participants for all their contributions. Again, on behalf of the Chemical Science team, a very warm welcome to what promises to be an exciting symposium. We hope that this event will act as a springboard for future activities and that it will help in fostering new research collaborations. We hope that the lectures and poster presentations will stimulate the exchange of ideas and experiences between all participants, setting a strong platform for discussion. We’d like to thank each of the speakers, poster presenters and participants for all their contributions. We have a wide range of speakers in this Symposium who are all internationally recognised experts in aspects of synthesis and catalysis. Methods and topics that we will hear about will be varied such as asymmetric organocatalysis, photocatalysis, electrocatalysis and flow chemistry as well as using alternative feedstocks for more sustainable processes or harnessing the power of biology to design new biocatalysts for synthesis. Again, on behalf of the Chemical Science team, a very warm welcome to what promises to be an exciting symposium. We hope that this event will act as a springboard for future activities and that it will help in fostering new research collaborations. Welcome from the Royal Society of Chemistry and Chemical Science

Ning Jiao Peking University Ning Jiao Peking University

Paolo Melchiorre University of Bologna Paolo Melchiorre University of Bologna

Andrei Yudin University of Toronto Andrei Yudin University of Toronto

May Copsey Royal Society of Chemistry May Copsey Royal Society of Chemistry

Meeting Information

Chemical Science Symposium 2022: Sustainable synthesis and catalysis is organised and hosted online by the Royal Society of Chemistry. This e-book contains abstracts of the oral talks and posters presented at the Chemical Science Symposium 2022. All abstracts are produced directly from typescripts supplied by authors. Copyright reserved. All sessions, including the virtal posters, are available to access via the virtual lobby. Further information on how to join the meeting for those attending in person and those attending online will be detailed in the joining instructions. Networking sessions There will be regular breaks throughout the meeting for socialising, networking and continuing discussions started during the scientific sessions. During the networking time online you will be able to join existing networking rooms or initiate one-to-one chats. Existing networking rooms will be visible from the virtual lobby. To create a one-to-one chat online, simply click on the name of the person you would like to speak to and select if you would like to have a private or public conversation. For a public conversation, other delegates can join your chat room. On the web version, you can only be in one session at a time (this includes networking rooms). Posters Posters have been numbered consecutively. The posters will be available to view throughout the discussion. For those posters online they can be viewed by clicking on the link in the virtual lobby. The dedicated poster session will take place on 10 November 17:30 - 19:00 During these times, the presenters are expected be available for live chat and outside of these times, a direct message can be sent to the authors and they can respond when available.

Sponsor We would like to thank the ACS Green Chemistry Institute Pharmaceutical Roundtable for their generous sponsorship of this event as the headline sponsor.

Committee

Speakers

Ning Jiao Peking University, China

David Macmillan Princeton University, USA Takashi Ooi Nagoya University, Japan Matt Gaunt University of Cambridge, UK

Paolo Melchiorre ICIQ, Spain

Andrei Yudin University of Toronto, Canada

May Copsey Royal Society of Chemistry, United Kingdom

Daniele Leonori RWTH Aachen University, Germany Tim Noël University of Amsterdam, Netherlands Shannon Stahl University of Wisconsin-Madison, USA

Anne MacNeil University of Michigan, USA

Debabrata Maiti IIT Bombay, India

Anat Milo Ben-Gurion University of the Negev, Israel

Bin Tan Southern University of Science and Technology of China (SUSTech), China

Yang Li Xi’an Jiaotong University, China

Nicholas Turner University of Manchester, UK

Danielle Schultz Discovery Process Chemistry at Merck, USA

Alison Narayan University of Michigan, USA Rui Shang University of Tokyo, Japan

Martina Delbianco Max Planck Institute of Colloids and Interfaces, Germany

Francesca Paradisi University of Bern, Switzerland

Oral presentations

O01

Synthetic carbohydrate-based materials – a cellulose story Martina Delbianco Max Planck Institute of Colloids and Interfaces, Germany

O02

New reactions to modify complex molecules Matt Gaunt University of Cambridge, UK

O03

Novel synthetic methods in halogen-atom transfer and nitroarene reactivity Prof. Daniele Leonori Institute of Organic Chemistry, Germany Selective cleavage of inert chemical bonds in biomass for green hydrogen and aryl compounds Yang Li Jiaotong University, China

O04

O05

The Development of Asymmetric Organocatalysis and Metallaphotoredox David W.C. MacMillan Princeton University, USA Synthetic approaches to sustainable materials Anne McNeil University of Michigan, USA

O06

O07

En-Light-ening C-H functionalization Debabrata Maiti IIT Bombay, India

O08

Anat Milo

O09

Alison Narayan

O10

Innovation in HAT photocatalysis through use of flow Tim Noël University of Amsterdam, Netherlands

O11

Asymmetric catalysis of designer chiral organic ion pairs Takashi Ooi Nagoya University, Japan

O12

Spheroplasts for membrane-bound catalysts Francesca Paradisi University in Bern, Switzerland

O13

Taming the unnatural – innovative non-canonical amino acid synthesis for drug discovery and beyond Danielle Schultz Discovery Process Chemistry, MSD, USA New transformations enabled by iron catalysis and their applications for electronic materials Rui Shang

O14

O15

Shannon Stahl

O16

Organocatalytic asymmetric synthesis of axially chiral compounds Bin Tan Southern University of Science and Technology, China Discovery and engineering of new multi-functional biocatalysts for organic synthesis Nicholas J. Turner University of Manchester, UK

O17

Poster presentations

P01

Effect of Ce doping on CoFe layered double hydroxide for heterogeneous water oxidation Parul Aggarwal IISER Bhopal, India Non-directed Pd-catalyzed electrooxidative olefination of arenes Salman Ahsan IISER Bhopal, India

P02

P03

A general iridium-catalyzed reductive dienamine synthesis allows a five-step synthesis of catharanthine via the elusive

dehydrosecodine Yaseen Almehmadi University of Oxford, UK

P04

Investigation of the Diels–Alderase in abyssomicin C biosynthesis Jawaher Alnawah University of Bristol, UK The electrosynthesis of high surface area platinum films by templating with Brij ® 58 and their electrocatalytic properties for

P05

ethanol oxidation Afnan Alshammari University of Reading, UK

P06

Hydrodeoxygenation of 2,5-dimethyltetrahydrofuran over bifunctional Pt-Cs 2.5 H 0.5 PW 12 O 40 catalyst in the gas phase: enhancing effect of gold Hanan Althikrallah University of Liverpool, UK Synthetic valorization of olive leaf crude extract promoted by organocatalysts Késsia Andrade Universidade de Lisboa, Portugal

P07

P08

Synthesis of cyclobutanes by contraction of pyrrolidines Andrey Antonchick Nottingham Trent University, UK Uncovering the role of surface-attached Ag nanoparticles in photodegradation improvement of Rhodamine B by ZnO-Ag nanorods Timur Atabaev Nazarbayev University, Kazakhstan Dehydrogenation of n-heterocyclic compounds using H 2 O 2 and mediated by polar solvents Alejandro Baeza University of Alicante, Spain How sustainable is your chemistry? Effective and useful tools to impact decisions when designing chemical processes Dan Bailey ACS Green Chemistry Institute, USA

P09

P10

P11

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Quinic acid transformations by photocatalysis Miguel Bárbara University of Lisbon, Portugal

P13

Silver nanoparticles loaded into polystyrene@poly(N-isopropylmethacrylamide) core-shell microgels for catalytic degradation of congo red dye Robina Begum University of the Punjab, Pakistan Oxidation of alcohols using solid-phase hypervalent iodine reagents in continuous flow Kathrin Bensberg University of Wuppertal, Germany Miniprotein-based artificial retr-oaldolase Łukasz Berlicki Wroclaw University of Science and Technology, Poland

P14

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Iron-catalysed chemo-selective oxidation of unprotected sugars David Branquet Université le Havre Normandie, France Iron-catalysed H/D exchange enabled by reversible protonation of iron-hydride intermediates Luke Britton University of Edinburgh, UK Effect of small flanking donor group on mechanofluorochromism and enhanced emission: a comparative study between ester and acid linked solid state emitters Madhuparna Chakraborty BITS Pilani Hyderabad, India Integration of cavitand with biologically inspired manganese oxidation catalyst for C-H oxidation reactions Siu-Chung Chan Universitat de Girona, Spain Overcoming limitations in decarboxylative arylation via Ag-Ni electrocatalysis Teyu Chen Biogen, USA Biocompatible energy induced late-stage modifications of bioactive compounds and biomolecules Chien-Wei Chiang Soochow University, Chinese Taipei One-pot stereoselective synthesis of aza-heterocycles Sébastien Comesse Université du Havre, Normandie, France Carbonates based nanoparticles synthesis, characterization and their application for wastewater treatment Cristina Coromelci Alexandru Ioan Cuza University of Iasi, Romania A DFT study on the H 2 -acceptorless dehydrogenative boration and transfer boration of alkenes catalyzed by zirconium complex Yulan Dai Beijing University of Chemical Technology (BUCT), China

P17

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Mechanistic investigation in diastereodivergent light-driven processes. making predictable the unpredictable Luca Dell'Amico Università di Padova, Italy Direct conversion of N-Aryl alpha-amino acids to 3-oxetanol bioisosteres via Cr/photoredox catalysis Avelyn Mae Delos Reyes Weill Cornell Graduate School/Sloan Kettering Institute, USA Diastereoselective Norrish-Yang photocyclization of 2-(hydroxyimino)aldehydes Antonio Di Sabato La Sapienza University of Rome, Italy Trichloroacetamides as powerful tools in radical chemistry for the synthesis of nitrogen heterocycles. A journey from tin to light Faïza DIABA University of Barcelona, Spain Sustainable ortho-selective alkenylation of 6-arylpurines in Mn(i) catalysis Jang Dongkyu Dong-A University, South Korea Asymmetric allylic alkylation of Morita-Baylis-Hillman fluorides with silyl enol ethers under Lewis-base catalysis Jordi Duran Universitat de Barcelona, Spain Electrochemical functionalization of quinolizidine alkaloids Raquel Durão University of Lisbon, Portugal Know your enemy: aiding palladium extraction with a breath of fresh air Marina Economidou GSK/University of Strathclyde, UK

P26

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Electrochemical deconstructive functionalization of cycloalkanols via alkoxy radicals enabled by proton-coupled electron transfer Albara Elgehani Cardiff University, UK Effect of organophosphorus complexing agents of the double metal cyanide catalysts on the ring-opening polymerizations of epoxide and lactones Lee Eungyeong Pusan National University, South Korea Smart polymer microgels for fabrication and stabilization of silver nanoparticles with catalytic potential Zahoor Hussain Farooqi University of the Punjab, Pakistan

P34

P35

P36

Visible light-driven conjunctive olefination Dario Filippini University of Nottingham, UK

P37

Enabling asymmetric synthesis: in flow enzymatic kinetic resolution of bicyclic-aziridines Milene Fortunato University of Lisbon, Portugal Carbon nitrides as a versatile platform for net-oxidative and net- neutral photoredox catalysis Alexey Galushchinskiy Max Planck Institute of Colloids and Interfaces, Germany Synthesis of trimethylsilanes using solid silylzinc reagent Anirban Ganguly IISER Thiruvananthapuram, India Acid-base-induced fac→mer isomerization of luminescent Ir(III) complexes Anastasia Gitlina École polytechnique fédérale de Lausanne (EPFL), Switzerland

P38

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Multicatalysis from renewable resources: a direct route to furan-based polyesters Lucie Guillaume CNRS - UMR 8247, Université PSL, France Modular photocatalytic synthesis of α-trialkyl-α-tertiary amines Georgia Harris University of Cambridge, UK

P42

P43

Studies towards the total synthesis of ginkgolide B Pol Hernández-Lladó University of Oxford, UK

P44

Nanoporous carbon from waste sources as support for polyoxometalates-ionic liquid hybrid materials for waste water treatment Thompson Izuagie Sokoto State University, Sokoto, Nigeria Sustainable polycaprolactone polyol-based thermoplastic elastomers showing superior mechanical properties and biodegradability Choi Jin Hyeok Pusan National University, South Korea Palladium-catalyzed stereoselective domino arylation-acylation: an entry to chiral tetrahydrofluorenone scaffolds Nina Kann Chalmers University of Technology, Sweden Synthesis of some biologically significant small heterocycles via silver(i)-catalyzed activation of carbon-carbon and carbon-heteroatom bond Swastik Karmakar Basirhat College (Affiliated with West Bengal State University), India Organocatalytic asymmetric synthesis of 3,3-disubstituted oxindoles having vicinal quaternary stereocenters Banni Preet Kaur Guru Nanak Dev University, Amritsar, India

P45

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P49

Catalyst-free photochemical C(sp3)-H arylation of amides in a solvent-caged EDA complex Jaspreet Kaur Universität Regensburg, Germany Accessing complex tetrahydrofurobenzo-pyran/furan scaffolds via Lewis-acid catalyzed bicyclization of cyclopropane carbaldehydes with quinone methides/esters Navpreet Kaur Indian Institute of Technology, India A vitamin B2-photocatalysed approach to methionine analogues Oliver Knowles University of Manchester, UK Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1H-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates Sai Teja Kolla CSIR-IICT, Hyderabad, India Reactivity or selectivity enhancement in organocatalytic Michael additions under ball milling conditions Rafał Kowalczyk Wrocław University of Science and Technology, Poland Development of new photocatalytic ring-opening reaction of cyclopropanols Anastasiya Krech Tallinn University of Technology, Estonia Pd-Catalyzed formal [3+3] heteroannulation of allylic gem-diacetates: synthesis of chromene-based natural products and photophysical studies Prashant Kumar IISER, Mohali, India Electrochemical generation of a nonstabilized azomethine ylide: access to substituted N-heterocycles

P50

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P53

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Rakesh Kumar IIT Ropar, India

P57

Deciphering single electron transfer ability of fluorene under photoredox conditions Abhishek Kundu IISER Mohali, India Catalytic oxidative synthesis of quinones and binaphthones over crystalline silica-supported Au- and Ru-based bimetallic catalysts Tumisang Lekgetho Tshwane niversity of Technology, South Africa Copper(II) trilfate-catalyzed three-component reaction for the conversion of allyl alcohol into 1-aryl-2-amino-propanes Camilla Loro Università degli Studi dell'Insubria, Italy Synthesis of α,β-unsaturated carboxylic acids by phosphonium ylide- mediated CO 2 activation Amy Lowry University College Cork, Ireland Iron(II)-catalyzed oxidative coupling of vicinal diols and 2-amino- 1,4-naphthoquinone for the synthesis of pyrrolonaphthoquinones and furanonaphthoquinones Sujit Maity National Institute of Technology Rourkela, India Investigation of amine bis(phenol) transition metal complexes to unravel the controlled ring-opening polymerisation of cyclic esters Thomas Malcomson University of Manchester, UK Enantioselective alpha-arylation of benzylamines using chiral lithium amides

P58

P59

P60

P61

P62

P63

Rajendra Kumar Mallick University of Bristol, UK

P64

An organophotocatalytic late-stage N-CH 3 oxidation of trialkylamines with O 2 in continuous flow

Mark John Mandigma University of Bristol, UK

P65

Driving Sustainability - Effective and useful tools to inform decisions when designing chemical processes in pharma and allied industries Isamir Martinez ACS Green Chemistry Institute, USA

P66

Direct electrochemical oxidation of abietanes Inês Martins University of Lisbon, Portugal

P67

Selective hydrogenation of levulinic acid using mechanochemically prepared Cu/manganese oxide catalysts Nayan Jyoti Mazumdar Queen's University Belfast, UK Employing catalytic dehydration to access complex scaffolds Mark McLaughlin Lancaster University, UK Transitioning from fossil to renewable raw materials in the manufacture of (all-rac)-alpha-tocopherol (vitamin E) Jonathan Medlock DSM Nutritional Products Ltd., Switzerland Biomolecule-compatible dehydrogenative Chan-Lam coupling of free sulfilimines Tingting Meng Southern University of Science and Technology, China Biocatalytic degradation of poly(lactic acid) to monomers using a chemically modified lipase in ionic liquids Selective synthesis of 2-amino-3H-phenoxazin-3-one on titanium oxide supported bimetallic Ru-Au and Ru-Pd nanocatalysts Thandiwe Mntambo Tshwane University of Technology, South Africa Preparation, characterization, and electrochemical evaluation of nickel sulphide on lignin-derived carbon material for supercapacitors Violet Moagi Tshwane University of Technology, South Africa Susana M. Meza Huaman King's College London, UK

P68

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Radical redox cycloadditions: a general light-driven method for the synthesis of saturated heterocycles Philip Murray University of Cambridge, UK Merging TBADT hydrogen atom transfer with nickel catalysis for cross-coupling and hydroacylation Vetrivelan Murugesan IISER-TVM, India Bridging between hetero- and homogeneous catalysis: copper powder catalyzed chemo- and regioselective benzylic C(sp3)–H oxidation Shantanu Nandi Indian Institute of Chemical Biology, India Direct light activation of hypervalent iodine reagents: substrate-controlled C-C or C-H alkynylation of cyclopropanes Vu-Trung-Tin Nguyen LCSO, EPFL, Switzerland Formation of enzyme-surfactant nanoconjugates for non-aqueous production of alkene biofuels from triglycerides Jake Nicholson King's College London, UK Photocatalytic remediation of crude oil contaminated water from nigeria by visible light active BiOI/TiO 2 heterojunction photocatalyst Blessing Ogoh-Orch University of Strathclyde, UK Pd-catalyzed allylic substitution between C-based nucleophiles and bicyclic aziridines João Oliveira University of Lisbon, Portugal Hydrofluoromethylation of alkenes with fluoroiodomethane and beyond Sebastiano Ortalli University of Oxford, UK

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Sustainable synthesis of useful building blocks enabled by electrolysis in continuous flow Maksim Ošeka Tallinn University of Technology, Estonia An innovative and sustainable procedure for the synthesis of morpholino nucleosides Marta Papis Università degli Studi dell'Insubria, Italy Sustainable manganese(i)-catalyzed C–H dienylation of indoles and a method for cascade [4+2]-cycloaddition Jinhwan Park Donga-A University, South Korea Development of sustainable agri-biomass based lignin bio-polymer nanomaterials for sensing and wearable photo-induced coatings Shatabdi Paul Center of Innovative and Applied Bioprocessing (CIAB), DBT, India Copper (II) catalysed aminal synthesis under mild conditions and their applications Juliana Pereira University of Lisbon, Portugal Unravelling the mechanism of nickel mediated cross-electrophile- electrophile coupling between katritzky salts and acid chlorides Ramadevi Pilli IISER-TVM, India Photochemical halogen-bonding assisted generation of vinyl radicals: stereoselective cross coupling between thiols and vinyl halides Manuel Plaza Martínez University of Oviedo, Spain

P83

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P86

P87

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P89

Directing group assisted rhodium catalyzed meta-C–H alkynylation of arenes

Gaurav Prakash IIT Bombay, India

P90

Formation of spirocyclopentenonyl oxindole frameworks through piancatelli rearrangement Sourav Pramanik Centre of Biomedical Research, India Insights into the enzyme induced spatiotemporal dynamics of self assembled motifs Boron mediated direct amidation reactions – mechanistic insights and catalyst development Richard Procter University College London, UK Cu-catalysed direct α-functionalisation of aliphatic ethers Feba Thomas Pulikkottil University of Greenwich, UK Priyanka Priyanka IISER Mohali, India Aromatization as the driving force for single electron transfer towards C–C cross-coupling reactions Monojit Roy IISER Mohali, India A general method for oxazole synthesis by photoinduced [3+2] cycloaddition of carbene and nitriles Argha Saha IIT Bombay, India Electricity mediated [3+2]-cycloaddition of N-sulfonylcyclopropanes with olefins via N-centered radical intermediates: access to cyclopentane analogs DEBARSHI Saha Indian Institute of Technology, India A sulfoxide reagent for one-pot, three-component syntheses of sulfoxides and sulfinamides Fumito Saito Ludwig Maximilian University Munich, Germany

P91

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P98

The structure−activity relationship between surface oxygen vacancies/species and catalytic performance in CuO nanostructures

Dipanjan Samanta IIT Kharagpur, India

P99

Application of hindered ether solvents for palladium catalyzed coupling reaction of Suzuki-Miyaura, Sonogashira and cascade Sonogashira reactions Suwiwat Sangon Khon Kaen University, Thailand C-O and C-Si bond formation using earth-abundant first-row transition metal catalysis via directing group assisted C-H activation Writhabrata Sarkar CSIR-Indian Institute of Chemical Biology, India Asymmetric total synthesis of (+)-propolisbenzofuran B Biswajit Sen Centre of Biomedical Research, India Visible light-mediated photocatalytic degradation of caffeine via novel graphene-WS2 aerogel Tajamul Shafi IIT Kharagpur, India Highly efficient visible light photocatalytic reduction of CO 2 to methanol by CuO@g-C 3 N 4 nanocomposite Md Abdus Salam Shaik Indian Institute of Kharagpur, India TEMPO- catalysed green electrochemical synthesis of dimeric 2-oxindole Sulekha Sharma IISER Bhopal, India Aerobic Baeyer-Villiger oxidation of ketones over Cu heterostructure surface in the presence of benzaldehyde: the effect of valence state Manisha Shaw IIT Kharagpur, India

P100

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Photoinduced ligand to metal charge transfer enabling cerium mediated decarboxylative alkylation of quinoxalin-2(1H)-ones Swati Singh IIT Delhi, India One-pot ruthenium catalyzed regioselective C-H functionalization of chromeno[4,3-c]pyrazol-4-ones and their photophysical studies Dinesh Singla Thapar Institute of Engineering and Technology, India Modular photocatalytic synthesis of α-trialkyl α-tertiary amines Milo Smith University of Cambridge, UK Catalytic enantioselective 6π photocyclization of acrylanilides Pearse Solon University of Oxford, UK Direct synthesis of paracetamol via site-selective electrochemical ritter-type c–h amination of phenol Irshad Taily IIT Ropar, India Combining the Castagnoli-Cushman reaction and directed C(sp3)-H activation for the short synthesis of densely functionalized 2-pyrrolidones as BACE-1 inhibitors Andrea Trabocchi University of Florence, Italy Air-tolerant photoredox catalysis in the synthesis of γ- and δ-lactams from N-alkenyl trichloro- and dichloroacetamides Gisela Trenchs University of Barcelona, Spain Visible-light mediated three-component sulfonylative annulation Ganesh Chandra Upreti IIT Kanpur, India

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Total synthesis of (-)-agelastatin A via photochemical transformation of pyridinium salt and enzymatic kinetic resolution of aziridine João R. Vale University of Lisbon, Portugal Vegetable oils: a promising sustainable feedstock for light-based 3D printing Clara Vazquez Martel Heidelberg University, Germany Employing sun energy for chemical bond activation by “hot electrons” of plasmonic black gold-nickel Rishi Verma Tata Institute of Fundamental Research, India Remote amino acid recognition enables effective hydrogen peroxide activation at a manganese oxidation catalyst Laia Vicens i Serra Universitat de Girona, Spain Autocatalytic photoredox Chan-Lam coupling of free diaryl sulfoximines with arylboronic acids Cong Wang Southern University of Science and Technology, China B(C 6 F 5 ) 3 -catalysed C3 alkylation of indoles and oxindoles Laura Winfrey University of Leicester, UK The synthesis and application of thionated donor-acceptor chromophores as triplet photosensitizers Anna Wright Cardiff University, UK Why does thionating a carbonyl molecule make it a better electron accepter? Yi-Lin Wu Cardiff University, UK

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Chemomimetic design and directed evolution of enzymes for iminium biocatalysis Guangcai Xu University of Manchester, UK Efficient removal of pharmaceutical active compounds using modified pinewood biochar – a kinetic, mechanistic study Yongtao Xue KU Leuven, Belgium Rapid access to arylated- and allylated cyclopropanes via Brønsted acid-catalyzed dehydrative coupling of cyclopropyl- carbinols Oxidations with Oxone: solvent-mediated switching between oxidative addition (β-hydroxysulfides) and addition–oxidation (β-arylsulfones) of thiols to olefins Navin Yadav IIT Kanpur, India Recycling Oryza sativa wastes into poly-imidazolium acetic acid- tagged nanocellulose Schiff base supported Pd nanoparticles for Intramolecular cycloaddition reactions of α-bromostyrene- functionalized fumaramides Shoko Yamazaki Nara University of Education, Japan Photobiocatalytic production of hydrogen using recombinant Escherichia coli-conjugated polymer nanoparticle biohybrid systems Ying Yang University of Liverpool, UK Naveen Yadav IIT Delhi, India applications Rana Yahya University of Jeddah, Saudi Arabia

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Engineering Pt-O-W interface to enhance the selective hydrogenolysis of glycerol to 1,3-propanediol Dongpei Zhang China University of petroleum, China Total synthesis of oligosaccharides derived from acinetobacter baumannii ATCC 17961 Qingju Zhang Jiangxi Normal University, China Photoredox-catalysed acyloxydifluoromethylation of styrenes with difluoromethyltriphenylphosphonium bromide Shen Zhang Queen Mary University of London, China UV/TiO 2 /periodate system for the degradation of organic pollutants – Kinetics, mechanisms and toxicity study Xi Zhang KU Leuven, Belgium Photoredox catalysis for the highly selective deuteration Nian Li Nanjing University, China.

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Synthetic carbohydrate-based materials – a cellulose story Martina Delbianco Max Planck Institute of Colloids and Interfaces, Germany Polysaccharides are the most abundant organic materials in nature, yet correlations between their three- dimensional structures and macroscopic properties have not been established. With automated glycan assembly (AGA), we prepared well-defined oligo- and polysaccharides resembling natural as well as unnatural structures. [1] These synthetic glycans are ideal probes for the fundamental study of polysaccharides, shedding light on how the primary sequence affects the polysaccharide properties (i.e. solubility and crystallinity). Molecular dynamics simulations, NMR spectroscopy, and single molecule imaging allowed for the visualization of polysaccharides’ conformation and revealed that some polymers form helices while others adopt rod-like structures.[2] Modifications in specific positions of the oligosaccharide chains permitted to tune the three-dimensional structure, solubility, and aggregation of such compounds.[3] Following a bottom-up approach, we used well-defined cellulose oligomers as tools to understand the transfer of chirality from the single oligomer to supramolecular assemblies, beyond the single cellulose crystal.[4] We discovered that synthetic cellulose oligomers self-assembled into thin micrometer-sized platelets with controllable thicknesses. These platelets further assembled into bundles displaying intrinsic chiral features, directly correlated to the monosaccharide chirality. Altering the stereochemistry of the oligomer termini influenced the chirality of the self-assembled bundles and allowed for the manipulation of the cellulose assemblies at the molecular level. References 1. M. Delbianco, A. Kononov, A. Poveda, Y. Yu, T. Diercks, J. Jiménez-Barbero, P. H. Seeberger, J. Am. Chem. Soc. 2018, 140, 5421-5426. 2. Wu, M. Delbianco, K. Anggara, T. Michnowicz, A. Pardo-Vargas, P. Bharate, S. Sen, M. Pristl, S. Rauschenbach, U. Schlickum, S. Abb, P. H. Seeberger, K. Kern, Nature 2020, 582, 375-378. 3. Y. Yu, T. Tyrikos-Ergas, Y. Zhu, G. Fittolani, V. Bordoni, A. Singhal, R. J. Fair, A. Grafmüller, P. H. Seeberger, M. Delbianco, Angew. Chem., Int. Ed. 2019, 58, 1433-7851. 4. G. Fittolani, D. Vargová, P. H. Seeberger, Y. Ogawa, M. Delbianco, J. Am. Chem. Soc. 2022, 144, 12469-12475.

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New reactions to modify complex molecules Matt Gaunt

The ability to synthetically modify the structure and functionality within complex molecules is a crucial part of the design of compounds that perturb biological process. In this lecture, I will discuss new research from our laboratory that enables the synthetic chemist to subtly alter the properties of both small and large molecules by introducing programmable selective structural changes. Among the topics that will be covered will be new reactions that alter the structures of small molecules and natural products as well methods to manipulate the structures of RNA.

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Novel synthetic methods in halogen-atom transfer and nitroarene reactivity Prof. Daniele Leonori Institute of Organic Chemistry, Germany In this presentation I will discuss two recent research lines from my group focused on the development and understanding of halogen-atom transfer and excited nitroarene reactivity. 1) Halogen-atom transfer (XAT). Organic halides are valuable building blocks for the generation of alkyl and aryl radicals. However, their applications in photoredox catalysis can be difficult owing to their very negative reduction potentials. I will present our recent work focused on the use of α -aminoalkyl radicals as XAT mediators for the homolytic activation of alkyl iodides and bromides and their application in synthesis. 1,2 Furthermore, I will discuss a non-canonical activation mode in XAT that eludes both kinetic and thermodynamic control. 3 2) Photoexcited nitroarenes. Nitroaromatics are widely available feedstocks that are routinely used for the preparation of anilines. I will present our most recent work that demonstrates how these species can be used, upon blue light irradiation, to promote the ozonolysis-style cleave of olefins 4 and also, in a skeletal editing logic, to allow preparation of complex and highly functionalised azepanes. 5 References. 1. T. Constantin, M. Zanini, A. Regni, N. S. Shikh, F. Julia and D. Leonori Science 2020, 367, 1021. 2. B. Gorski, A.-L. Barthelemy, J. J. Douglas, F. Julia and D. Leonori Nat. Catal. 2021, 4, 623. J. Am. Chem. Soc. 2021, 143, 14806. 3. T. Constantin, B. Gorski, M. Tilby, J. Llaveria, H. Zipse, S. Lakhdar and D. Leonori, unpublished results. 4. A. Ruffoni, C. Hampton, M. Simonetti and D. Leonori, unpublished results. 5. R. Mykura, R. Sanchez, V. Duong, J. Llaveria, A. Ruffoni and D. Leonori, unpublished results.

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Selective cleavage of inert chemical bonds in biomass for green hydrogen and aryl compounds Yang Li Jiaotong University, China The fossil resource is exhausting accompanying with CO2 emission during the utilization. Non-food biomass is one of the largest renewable resources on the earth, which consist of cellulose, hemicellulose and lignin. Efficient utilization of biomass can afford green hydrogen and aryl compounds. However, large amounts of inert C–C bonds, C–H bonds and C–O bonds contained in the biomass make the utilization very challenging. The classic studies on the utilization of biomass related with harsh conditions at about 300–1400 °C or above than 374 °C and 22.1 MPa. Most chemical bonds were broken at the same time. The mixture of H2, CO, CO2 and CH4 were generated, and with the destroyed aromatic unit. In this talk, selective cleavage of C-C bonds, C-H bonds and C-O bonds for green hydrogen and aryl compounds will be presented. References 1. Zhang, P.; Guo, Y.-J.; Chen, J.; Zhao, Y.-R.; Chang, J.; Junge, H; Beller, M.*; Li, Y.* Nat. Catal. 2018, 1, 332. 2. Guo, Y.-J.; Li, S-J.; Sun, Y.-L.; Wang, L.; Zhang, W.-M.; Zhang, P.; Lan, Y.*; Li, Y.* Green Chem. 2021, 23, 7041.

3. Wang, S.-F.; Cao, X.-P.*; Li, Y.* Angew. Chem. Int. Ed. 2017, 56, 13809. 4. Tan, F.-F.; He, X.-Y.; Tian, W.-F.; Li, Y.* Nat. Commun. 2020, 11, 6126.

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The Development of Asymmetric Organocatalysis and Metallaphotoredox

David W.C. MacMillan Princeton University, USA

This lecture will first discuss the advent of organocatalysis in my laboratory. As part of this overview, we will highlight why organic catalysts have become widely explored in modern synthetic chemistry. This lecture will also discuss the application of visible light photocatalysis to the discovery or invention of transformations that will be conceptually or synthetically valuable (and sometimes, hopefully, both). We will describe why a healthy balance of reaction discovery and mechanistic understanding has been important to the development of a field of research that is now being widely adopted in both industrial and academic settings. In particular, we will discuss the application of photocatalysis to the development of new metallaphotoredox reactions involving copper, a development that we hope will have an impact on the discovery of new biologically relevant molecules. Finally, we will examine an exciting recent application of photoredox catalysis in my group; namely, the high-resolution µMap technology, which provides a powerful means to probe biological pathways at the subcellular level.

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Synthetic approaches to sustainable materials Anne McNeil University of Michigan, USA

Plastics have completely transformed our lives, and at the same time they have had a significant negative impact on our environment. Our research is aimed at developing synthetic approaches towards more sustainable polymers. This talk will highlight projects ongoing within our group where we aim to use synthetic chemistry to give a current high-production-volume plastic a second life, thereby attenuating its impact on the environment.

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En-Light-ening C-H functionalization Debabrata Maiti IIT Bombay, India

Mimicking the nature has always been a coveted target for scientific communities. A precise understanding has emerged as to how enzymes accomplish the chemical transformations. Enzymes catalyze inert C-H bond functionalization in a regio- and stereoselctive manner using metal-active site. Inspired by the nature, we have developed catalytic methods to functionalize carbon–hydrogen (C–H) bonds which provides significant economic and environmental benefits over traditional synthetic methods. Applicability of our strategies towards synthesis of various complex molecules will be discussed.

Refernces 1. JACS 2022 (ASAP); Science, 2021 , 372, 701; Nat. Commun. 2021 , 12, 1393; Angew. Chem. Int. Ed. 2021 , 60, 14030; J. Am. Chem. Soc., 2020 , 142, 12453; J. Am. Chem. Soc., 2020 , 142, 3762 Presenter Details Prof. Debabrata Maiti received his PhD from Johns Hopkins University in 2008 under the supervision of Prof. Kenneth D. Karlin. After postdoctoral studies at MIT with Prof. Stephen L. Buchwald, he joined the Department of Chemistry at IIT Bombay in 2011. His research interests are focused on the development of new and sustainable synthetic and catalytic methodologies. Currently he is an Associate Editor of Journal of Organic Chemistry .

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Anat Milo

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Alison Narayan

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Innovation in HAT photocatalysis through use of flow Tim Noël University of Amsterdam, Netherlands

Until recently, many reactions have been exclusively performed in conventional batch LabWare. With the advent of microreactor technology, significant effort has been devoted to develop a wide variety of continuous-flow techniques to facilitate organic synthesis. Microreactor technology offers several advantages compared to traditional batch reactors, such as, enhanced heat- and mass-transfer, improved irradiation, safety of operation and the possibility to integrate several reaction steps and subsequent separations in a single streamlined process. My group has taken a great interest in assisting chemists by developing automated and flow-based reaction technologies capable of reducing manual labor, increasing the reproducibility of the results and accelerating reaction discovery. This further allows the chemists to explore uncharted chemical space. In this presentation, we will give an overview of our synthetic methodology development, exemplified by HAT photocatalysis, and how these synthetic methods were impacted by continuous-flow microreactor technology. Furthermore, we will discuss the developed technology and reaction models in detail.

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Asymmetric catalysis of designer chiral organic ion pairs Takashi Ooi Nagoya University, Japan Molecules are the smallest units responsible for functions and are inherently multidisciplinary as fields that deal with structurally well-defined molecular entities are diverse. Synthetic chemistry is essential for the assembly of molecules by connecting or breaking bonds in a predictable manner. Such endeavor always involves the transformations of certain carbon feedstock to desired products. In developing ideal systems for executing this fundamental process, catalysts play a pivotal role. In this context, we have designed and synthesized a series of structurally novel organic molecules, particularly chiral organic ion pairs, and succeeded in eliciting their unique functions as molecular catalysts and ligands through rational structural modifications, thereby leading to achieve highly selective bond-forming reactions based on the precise control of ionic species.1-3 In this lecture, I will present the details of this research stream with focus on the recent advancement.

References 1. D. Uraguchi, F. Ueoka, N. Tanaka, T. Kizu, W. Takahashi, T. Ooi, Angew. Chem., Int. Ed. 2020, 59, 11456.

2. D. Uraguchi, Y. Kimura, F. Ueoka, T. Ooi, J. Am. Chem. Soc. 2020, 142, 19462. 3. K. Ohmatsu, Y. Morita, M. Kiyokawa, T. Ooi, J. Am. Chem. Soc. 2021, 143, 11218.

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Spheroplasts for membrane-bound catalysts Francesca Paradisi University in Bern, Switzerland

Squalene-hopene cyclases (SHCs) are a highly valuable and attractive class of membrane-bound enzymes as sustainable biotechnological tools to produce aromas and bioactive compounds at industrial scale [1, 2]. However, their application as whole-cell biocatalysts suffer from the outer cell membrane acting as a diffusion barrier for the highly hydrophobic substrate/product, while the use of purified enzymes leads to dramatic loss of stability [3-5]. Here we present an unexplored strategy for biocatalysis: the application of SHC spheroplasts [6]. By removing the outer cell membrane, we produced stable and substrate-accessible biocatalysts. SHC spheroplasts exhibited up to 100-fold higher activity than their whole-cell counterparts for the biotransformations of squalene, geranyl acetone, farnesol, and farnesyl acetone. Their catalytic ability was also higher than the purified enzyme for all high molecular weight terpenes. In addition, we introduce a new concept for the carrier-free immobilization of spheroplasts via crosslinking, CLS (crosslinked spheroplasts). The CLS maintained the same catalytic activity of the spheroplasts, offering additional advantages such as recycling and reuse. These timely solutions contribute not only to harness the catalytic potential of the SHCs, but also to make biocatalytic processes even greener and more cost-efficient. References 1. Eichenberger, M. et al. Asymmetric Cation-Olefin Monocyclization by Engineered Squalene–Hopene Cyclases. Angew. Chemie - Int. Ed.60, 26080–26086 (2021). 2. Schneider, A., Jegl, P. & Hauer, B. Stereoselective Directed Cationic Cascades Enabled by Molecular Anchoring in Terpene Cyclases. Angew. Chemie - Int. Ed. 60, 13251–13256 (2021). 3. Eichhorn, E. et al. Biocatalytic Process for (-)-Ambrox Production Using Squalene Hopene Cyclase. Adv. Synth. Catal. 350, 2339–2351 (2018). 4. Julsing, M. K. et al. Outer membrane protein alkL boosts biocatalytic oxyfunctionalization of hydrophobic substrates in Escherichia coli. Appl. Environ. Microbiol. 78, 5724–5733 (2012). 5. Gu, Y. et al. Directed Evolution of Artificial Metalloenzymes in Whole Cells. Angew. Chemie - Int. Ed. 61, (2022). 6. Benitez-Mateos, A. I. et al., Spheroplasts preparation boosts the catalytic potential of a squalene-hopene cyclase, ChemRxiv (2022). doi:10.26434/chemrxiv-2022-w08d0 preprint.

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Taming the unnatural – innovative non-canonical amino acid synthesis for drug discovery and beyond Danielle Schultz Discovery Process Chemistry, MSD, USA Non-naturally occurring peptides are a growing therapeutic modality with most applications targeting endogenous proteins; however, advances in hit-to-lead platforms (such as mRNA display and DEL) have revealed that the druggable space of peptides can be greatly expanded. As a result, the discovery of peptide therapeutics is rapidly evolving and there is a growing need to dive into the non-canonical amino acid pool in order to fine tune biopharmaceutical properties such as potency, bioavailability and cell permeability. Through internal partnerships and academic-industrial collaborations, we have developed several methods to access non-canonical amino acids impacting both naturally occurring and synthetic peptides. A common thread throughout this work will be how sharing industrial challenges with our academic collaborators, coupled with our internal capabilities, can quickly transform ideas into innovative impacts.

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New transformations enabled by iron catalysis and their applications for electronic materials Rui Shang

The catalytic synthesis of organic molecules of interest in developing electronic materials so far mostly relies on using precious metals such as palladium and rhodium as catalysts. The cost and scarcity of these precious metals cause impending problems in the mass production of materials. In contrast, iron as the most abundant metal on the earth has the merits for use as a catalyst for syntheses of conjugated organic molecules because of its intrinsic redox and organometallic reactivity. The low cost, low toxicity, abundance, and ubiquity of iron ideally conform to the spirit of sustainable development goals. In this talk, our one-decade journey of exploring iron catalysis is briefly presented and new types of recently achieved iron-catalyzed transformations for developing organic electronic materials, as well as the device functions, will be introduced.

Novel p -Molecules

New Reactions

Iron-Catalysis

New Functional Materials for Devices

References 1. Angew. Chem. Int. Ed. 2022, 61, e202203949; Nat. Catal. 2021 , 4, 631; 2. J. Am. Chem. Soc. 2021 , 143, 6823; J. Am. Chem. Soc. 2020 , 142, 2059; 3. Nat. Catal. 2019 , 2, 400.

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