Publications
- A waste-valorising pathway for circular hydrogen economies
Cao Y Xiang H Siddique F Servin-Quintero RI Yan Y Nakum DK Wu H Jie XM
Renewable and Sustainable Energy Reviews, Elsevier vol. 239
01-10-2026 - Site-selective nitrogen insertion in double helicenes and dibenzo-terrylenes
Sharma V Preston D Zhang K Kumar DV Whitehead GFS Natrajan LS Dunne SR Sundararaju B et al.
Communications Chemistry, Springer Nature
10-09-2026 - Benchmarking on-the-Fly Machine Learning Force Fields for Ion Hydration: Structure, Coordination, and Exchange Dynamics across Monovalent and Divalent Cations
Salha MS Lin W Chass G Di Tommaso D
The Journal of Physical Chemistry B, American Chemical Society (Acs) vol. 130 (37), 9543-9560.
02-09-2026 - A bioactive radiopaque infiltrant for managing early enamel carious lesions - an in-vitro study
Hasan MA Khatoon A Arseniyadis S Patel M Hill R Wong FSL
Journal of Dentistry, Elsevier
01-09-2026 - Al-driven magnesium alloy functionality via manifold structuring and disorder
Zakrjevsky A Salha MS Adenusi H Yada RY Khat G-G Farrar DF Di Tommaso D Tian KV et al.
Journal of Magnesium and Alloys, Elsevier vol. 22
01-09-2026 - Backbone Engineering of Benzodifurandione‐Based n‐Type OMIECs With Antiambipolar Behavior
Gunturkun D Meli D Kuhn M Herzig EM Rivnay J Nielsen CB
Advanced Electronic Materials
01-09-2026 - Core and π‐Bridge Engineering to Deconstruct Y6‐Series into Modular Non‐Fused Acceptors: DFT‐Guided Structure‐Property Map for Organic Solar Cells
Ain QU Akram W Yaqoob H Shahid M Majid A Altaf M Nielsen CB Ashraf RS
Advanced Electronic Materials
01-09-2026 - Microwave Magnetic Field Heating Offers a Highly Selective and Intensive Method of Heating for Catalytic Decomposition of Plastic Waste
Nelson M Hefford S Barter M Jie X Slocombe DR
IEEE Journal of Microwaves, Institute of Electrical and Electronics Engineers (IEEE) vol. 6 (5), 1184-1194.
01-09-2026 - Recent Applications of Propylene Carbonate as a Solvent in Sustainable Organic Synthesis
Aguilar‐Sanchez LG Jones CR
Chemsuschem, Wiley vol. 19 (17)
01-09-2026 - ZIF-8 microcapsule with single-pore supporting Au nanoparticles inside for efficient cascade catalysis
Lu T Lin W Guo Y Bai Y Zhang F Si K Zhao W Di Tommaso D et al.
Materials Today Chemistry, Elsevier vol. 56
01-09-2026 - Structure-Driven Ion Transport in Conjugated Polymers with Crown Ether Side Chains: From the Nano- to Microscale
Heinzen I Lifer A Stein E Hayoun L Kousseff CJ Nielsen CB Frey GL Banerji N
Chemistry of Materials, American Chemical Society (Acs) vol. 38 (15), 7614-7625.
28-07-2026 - Amaranthus viridis-assisted fabrication of CuO–SbO–ZrO2 nanocomposites for advanced supercapacitive energy storage and bifunctional electrocatalysis
Azhar S Ahmad KS Abrahams I Gupta RK Lin W Abdel-Maksoud MA Alsabih AO Alrokayan S
Chemical Papers, Springer Nature, 1-15.
22-07-2026 - Learning Fragment-Based Segmentation of Binding Sites from Molecular Dynamics: A Proof of Concept on Cardiac Myosin
Yang Y-Y Pickersgill RW Fornili A
Journal of Chemical Information and Modeling, American Chemical Society (Acs) vol. 66 (16), 10127-10140.
15-07-2026 - Site-Selective Aryne-Mediated N -Arylation of Oligopeptides
Kankraisri P Siddiq K Ma Y-R Beadle J Gregson SJ Masterson L Bulow C Huang P-Q et al.
Synthesis, Thieme
15-07-2026 - Perspective on a challenge: Predicting the photochemistry of cyclobutanone
Janoš J List NH Orr-Ewing AJ Suchan J Barbatti M Bennett O Brady M Carmona-García J et al.
The Journal of Chemical Physics, Aip Publishing vol. 165 (2)
14-07-2026 - Effect of Hydration on Electrical Properties of Lanthanum-Cerium Oxides
Zion OB Ehre D Rulev A Pomjakushin V Braun A Abrahams I Lubomirsky I
Ecs Meeting Abstracts, The Electrochemical Society vol. MA2026-01 (39), 2018-2018.
07-07-2026 - Effect of grain size on phase transitions and dielectric properties in AgNbO3 ceramics
Yan Z Peng H Ding Y Chen H Li C Luo H Qi H Zhang D et al.
Applied Physics Letters, Aip Publishing vol. 129 (1)
06-07-2026 - Synergistic BiFeO3/ZnSe heterostructures: Enhanced photocatalytic dye degradation and electrochemical charge storage
Hamza MA Nabi AG Khan S Khan MI Aman-ur-Rehman Di Tommaso D
Materials Today Communications, Elsevier vol. 55
01-07-2026 - Progress of iron-based magnetic nanomaterials: synthesis, properties, and emerging applications
Yuan W Rojas-Ruiz M Sun X Shang C Giordano C Zhang G
Nanotechnology, Iop Publishing vol. 37 (26)
26-06-2026 - Defect-Mediated Catalysis for Low-Temperature Formation of Graphene-Based Materials
Zhang M Yoshii T Zhao Q Hayasaka Y Di Tommaso D Nishihara H
Journal of The American Chemical Society, American Chemical Society (Acs) vol. 148 (25), 25389-25401.
08-06-2026 - Azaisoindigo and Triphenylamine-Based Hybrid Material: Design, Carbon Nanotube Decoration, and Supercapacitor Applications Using a PA-NI Gel Electrolyte
Isci R Gunturkun D Donmez KB Bozoglu S Sarabi SM Nielsen CB Ozturk T
Acs Applied Energy Materials, American Chemical Society (Acs)
01-06-2026 - Catalyst-Controlled Regiodivergent C–H Olefination of Furanyl Carbamates through a Rational Approach
Richard F Languet M Escande de Messières C Zaitoun AM Dupas A Cambeiro XC Cossy J Arseniyadis S
Jacs Au, American Chemical Society (Acs) vol. 6 (6), 3294-3300.
28-05-2026 - CF 3 -pyridyl-substituted hetero- and homocyclic conjugated molecules: from non-emissive to highly emissive through core engineering
Yaqoob H Arif N Saleem RSZ Khan JI Ashraf RS Nielsen CB Chotana GA
Materials Advances, Royal Society of Chemistry (Rsc)
28-05-2026 - Crown Ether‐Based Ion‐Selective Organic Semiconductors by Molecular Design
Hirst BG Pooriakia L Kollimalaian K Nielsen CB
Chemphyschem, Wiley vol. 27 (10)
27-05-2026 - Investigating the Effect of the Coordination Environment and Bridging Atoms in Fe−N4 Macrocycles Applied to Alkaline Oxygen Reduction Reaction
Li Q Zhao Q Pedersen A Lin Z Zhang M Di Tommaso D Xu Y Titirici M-M et al.
Acs Catalysis, American Chemical Society (Acs)
18-05-2026 - Interface-Designed Relay Hydrogenation-Hydrogenolysis over Base-Metal Catalysts Enables Stereochemically Controlled Upcycling of Waste PET to CHDM
Wang Q Fan J Ji Z Lu Y Lv H Wang L Huang F
Acs Catalysis, American Chemical Society (Acs) vol. 16 (13), 12165-12179.
15-05-2026 - Structure and dynamics of confined water in naphthalene-diimide based molecular crystals.
Garattoni FT Severi M Amante G Nielsen CB Cassone G Fazzi D
J Chem Phys vol. 164 (18)
14-05-2026 - A metal-DNA biohybrid as enantioselective artificial photoDNAzyme
Pastorel Z Zanzi J Noël M Bartocci A Arseniyadis S Dumont E Canac Y Baslé O et al.
Nature Communications, Springer Nature vol. 17 (1)
13-05-2026 - Continuous Photoflow Synthesis of Heterohelicenes
Lyon K Pan C Sathiyalingam S Wu Y Matthews J Brandt JR
Organic Letters, American Chemical Society (Acs) vol. 28 (19), 5918-5922.
05-05-2026 - Hydrophobic and lipid-mediated gating mechanism revealed by low-conductance MthK mutants
de Vries R Yoo H-S Fan C Kopec W Nimigean CM de Groot BL
, Cold Spring Harbor Laboratory
30-04-2026 - Optimization of SWCNT‐FET Biosensors by Aptamer Engineering and Toehold‐Mediated Strand Displacement
Miao H Zheng T Yu H Manoharan G Sant'Anna G Bedfrod N Chávez JL Lee C et al.
Advanced Science, Wiley vol. 13 (38)
16-04-2026 - ANNalog: generation of MedChem-similar molecules
Dai W Tyzack JD Fornili A de Graaf C O’Boyle NM
Journal of Cheminformatics, Springer Nature vol. 18 (1)
15-04-2026 - A Magnetically Bistable Rigid Carbene2,3-Benzofluorenylidene
Gorbatenko K Mendez-Vega E Sandoval-Salinas ME Hernández FJ Crespo-Otero R Sander W
Journal of The American Chemical Society, American Chemical Society (Acs) vol. 148 (15), 15883-15896.
07-04-2026 - Corrigendum to “Luminescent, highly halogenated 2-(2-hydroxyphenyl)benzothiazole derivatives and their zinc complexes” [Journal of Fluorine Chemistry 2023, 270, 110165]
Chawishli LH Ibrahim A Karamshuk S Khan H Motevalli M Toiganbayeva S Abrahams I Gillin WP et al.
Journal of Fluorine Chemistry, Elsevier vol. 291
01-04-2026 - Facile green synthesis of La2O3 doped Bi2O3 nanomaterials for supercapacitor and overall water splitting applications
Azhar S Ahmad KS S.Al-Hawadi J Abrahams I Lin W Gupta RK Ansari AA BaQais A
Microchemical Journal, Elsevier vol. 223
01-04-2026 - Increasing the electrical conductivity of La2Ce2O7 thin films by hydration
Freidzon D Wachtel E Kossoy A Cohen H Vilan A Ehre D Abrahams I Lubomirsky I
Solid State Ionics, Elsevier vol. 438
01-04-2026 - Late‐Stage Oxygenation in Organic Synthesis: From Innate Reactivity to Directed Selectivity in Complex Settings
Gennaiou K Kourgiantaki M Mazaraki K Richard F Fincias N Arseniyadis S Zografos AL
Angewandte Chemie International Edition, Wiley vol. 65 (20)
01-04-2026 - Sustained bioactivity of nucleic acid-encoded EPO- and NGF-functionalized conduits enhances regeneration in long-gap peripheral nerve injuries
Demir S Fernández-Yagüe MA Daly W Al-Waeel M Akogwu AS Quinlan L Windebank A Wang H et al.
Cell Biomaterials, Elsevier vol. 2 (4)
01-04-2026 - Deep learning as a generator of sodium channel state hypotheses
Schmidt L Kopec W
Journal of General Physiology, Rockefeller University Press vol. 158 (3), e202513938-e202513938.
10-03-2026 - In Situ Electrochemical Activation of Pseudo‐Layered NbS3 via Interlayer Expansion and Dual Redox for High Mg‐Ion Storage
Jing P Inoishi A Zhao C Kobayashi E Ren P Abrahams I Gregory DH
Advanced Science, Wiley vol. 13 (27)
07-03-2026 - Structural Determination, Oxygen Diffusion, and Storage Capacity of a High‐Entropy Fluorite‐Type Oxidation Catalyst
Vaishnav Y Abou‐Daher M Silva CIQ K. R Al Maksoud W Toth M Viswanathan M Ren P et al.
Small Structures, Wiley vol. 7 (3)
01-03-2026 - Deciphering Small Molecule Diffusion Parameters Across Light Responsive Polymersome Membranes
Matubbar F Kaya B Ipek B Dorjee T Hakobyan S Chami M Gautrot JE Rifaie‐Graham O
Advanced Functional Materials, Wiley vol. 36 (38)
28-02-2026 - Structural Origin of Morphotropic Phase Boundary in Advanced Perovskite Ferroelectric Oxides
Yue Y Qu F Viola G Han B Krynski M Honda T Zheng Q Hu Z et al.
Journal of The American Chemical Society, American Chemical Society (Acs)
13-02-2026 - TrIPP: a trajectory iterative pKa predictor
Matsingos C Man KF Fornili A
Bioinformatics, Oxford University Press (OUP) vol. 42 (2)
03-02-2026 - A hydration chamber for La-doped ceria ceramics with crystal hydrate-stabilized water vapor pressure
Zion OB Abrahams I Wachtel E Zhang X-D Guo X Lubomirsky I Ehre D
Solid State Ionics, Elsevier vol. 434
01-02-2026 - BPS2026 – Altered dynamics in skeletal myosin with pathogenic missense mutations
Man KF Fornili A
Biophysical Journal, Elsevier vol. 125 (4)
01-02-2026 - Hydrogels Incorporating Donor–Acceptor Stenhouse Adducts as a Platform for Photoinduced, On‐Off Switchable Release of Small Molecule Cargos
Dell TN Cammack‐Najera A Tresa R Matubbar F Kaya B Lathan U Chami M DiNardi RG et al.
Macromolecular Rapid Communications, Wiley vol. 47 (8)
31-01-2026 - Light-induced analgesia provides a drug-free optical method for pain relief via activation of TRAAK k+ channels
Bied M Landra-Willm A Chassot AA Mendez-Otalvaro EF Sueur B Roßmann K de la Peña E Fossat P et al.
Nature Communications, Springer Nature vol. 17 (1)
26-01-2026 - Unraveling the Sources of Broadening in UV–Visible Spectra of Crystalline Oligoacenes Using Multiscale Computational Protocols
Hodée M Brunetti F Hernández FJ Escudero D
The Journal of Physical Chemistry Letters, American Chemical Society (Acs) vol. 17 (5), 1383-1392.
24-01-2026 - FAK modulates immune response and fibroblast activation in biomaterial-induced fibrosis
Fernández-Yagüe MA Barber GF Del Campo A García AJ
Biomaterials, Elsevier vol. 330
19-01-2026 - ZrO2 supported Fe-based catalysts for direct synthesis of light olefins via CO2 hydrogenation
Kraleva E Saladino ML Giordano C Ponterio RC Armbruster U
Scientific Reports, Springer Nature vol. 16 (1)
16-01-2026 - Targeting Bacterial Cell Wall Synthesis: Structural Insights and Emerging Therapeutic Strategies
Sanapalli BKR Jones CR Sanapalli V
Pharmaceutics, Mdpi vol. 18 (1)
13-01-2026 - Structure–Property Relationships of Near-Infrared Cyanine Dyes: Chalcogen-Driven Singlet Oxygen Generation with High Fluorescence Efficiency
Yang S Forsyth E Lin W Setchfield K Crespo-Otero R Di Tommaso D Lilienkampf A Wright A et al.
Acs Omega, American Chemical Society (Acs) vol. 11 (3), 4475-4484.
12-01-2026 - An Opto‐Actuated Hydrogel for Cell Mechanoactuation and Real‐Time Force Monitoring
Kumar R Fernandez‐Yague MA Bessaguet A Lee H Giuseppone N García AJ del Campo A
Advanced Science, Wiley vol. 13 (10)
04-01-2026 - (3 + 2)D modulation governs vacancy ordering and oxide-ion transport in γ-type BIMEVOX conductors
Yue Y Qu F Dzięgielewska A Koedtruad A Zheng Q Kan WH Hull S Malys M et al.
Journal of Materials Chemistry A, Royal Society of Chemistry (Rsc) vol. 14 (27), 17355-17365.
01-01-2026 - Accelerating discovery through integration: a DFT validated machine learning framework for screening MOF photocatalysts
Anselmi M Slabaugh G Crespo-Otero R Di Tommaso D
Journal of Materials Chemistry A, Royal Society of Chemistry (Rsc)
01-01-2026 - Advances in nanomedicine: from design and formulation to regenerative application and theranostics
Milcovich G Jesus CF Esteves MIM Calzaferri F Antunes FE Di Rosa L Baldassano S Vasto S et al.
Nanoscale, Royal Society of Chemistry (Rsc) vol. 18 (4), 1765-1802.
01-01-2026 - Al-driven cement functionality by manifold structuring & disorder
Salha MS Adenusi H Setiadi DH Yada RY Farrar DH Di Tommaso D Tian KV Chass GA
Materials Advances, Royal Society of Chemistry (Rsc) vol. 7 (3), 1405-1416.
01-01-2026 - Bioinspired total synthesis of (dibromo)sceptrin and (dibromo)ageliferin
Latrache M Sesay A Oger S Montaner MB Mellah M Poupon E Hilton ST Arseniyadis S et al.
Chemical Communications, Royal Society of Chemistry (Rsc) vol. 62 (41), 10418-10422.
01-01-2026 - Catalyst design for microwave-enhanced hydrogen production: Comparative performance across diverse feedstocks
Cao Y Xiang HJ Yan Y Servin-Quintero RI Nakum DK Jie XM
Catalysis Today, Elsevier vol. 461
01-01-2026 - Copper-catalyzed allylic substitution of nitroallyl derivatives with Grignard reagents
Clavier L Fincias N Arseniyadis S El Kaim L
Chemical Communications, Royal Society of Chemistry (Rsc) vol. 62 (26), 6950-6953.
01-01-2026 - Dopant redox stability as a design principle for selective CO2 electroreduction on Cu
Barberini F Barile A Restuccia P Atanasio P Passeri D Di Tommaso D Mazzaro R Pasquini L et al.
Physical Chemistry Chemical Physics, Royal Society of Chemistry (Rsc) vol. 28 (35), 21230-21245.
01-01-2026 - Flexible Ultrasound Sensor Based on ErPMNPT Ceramics for Vascular Monitoring
Li Z Wang X Liu D Wang Y Lindsey B Bartlett M Abrahams I Busfield J et al.
IEEE Sensors Journal, Institute of Electrical and Electronics Engineers (IEEE) vol. 26 (9), 13915-13925.
01-01-2026 - Fullerene derivative integration controls morphological behaviour and recombination losses in non-fullerene acceptor-based organic solar cells
Panagiotopoulos A Almpanidis K Hung EY-H Lempesis N Xu W Perrakis G Jenatsch S Abelian L et al.
Materials Horizons, Royal Society of Chemistry (Rsc) vol. 13 (5), 2418-2437.
01-01-2026 - Machine-learning screening of dual-atom catalysts reveals curvature-induced binding-mode switching promoting C–C coupling to ethanol
Lin W Di Tommaso D
Journal of Materials Chemistry A, Royal Society of Chemistry (Rsc) vol. 14 (52), 35633-35649.
01-01-2026 - One-pot divergent synthesis of 5-arylmethyl oxazoles and polyacenes from propargylic amides and arynes
Werling AYR Yang Y Jones CR
Organic Chemistry Frontiers, Royal Society of Chemistry (Rsc)
01-01-2026 - Optimized selectivity in CO2 electrochemical reduction using amorphous CuNi catalysts: insights from density functional theory and machine learning simulations
Muthuperiyanayagam A Pedretti E Righi MC Di Tommaso D
Journal of Energy Chemistry, Elsevier vol. 112, 1014-1025.
01-01-2026 - Stimuli-responsive shape-morphing soft actuators: metrics, materials, mechanism, design and applications
Sun L Li Z Zhang Y Lu Y Zhang S
Progress in Materials Science, Elsevier vol. 155
01-01-2026 - Templated assembly of metal nanoparticles on DNA–SWCNT hybrids towards optoelectronic tunability
Mengrani Z Yu H Hong W Di Tommaso D Palma M
Chemical Communications, Royal Society of Chemistry (Rsc) vol. 62 (48), 12094-12098.
01-01-2026 - Templated growth of perovskite shells on single-walled carbon nanotubes: a solution-processable route towards tailored devices
Manoharan G Li X Dimitrov S Palma M
Nanoscale, Royal Society of Chemistry (Rsc) vol. 18 (20), 10662-10670.
01-01-2026 - Understanding the photochemistry of a crystalline push–pull norbornadiene photoswitch
Hernández FJ Cox JM Li J Lopez S Crespo-Otero R
Chemical Science, Royal Society of Chemistry (Rsc) vol. 17 (14), 7157-7170.
01-01-2026 - Unified, catalyst-controlled, bioinspired total synthesis of dimeric piperine alkaloids in batch and flow
Latrache M Sesay A Oger S Montaner MB Zhang J Mellah M Poupon E Hilton ST et al.
Chemical Communications, Royal Society of Chemistry (Rsc) vol. 62 (41), 10413-10417.
01-01-2026