Articles and Books

2021    |     2020    |     2019    |     2018    |     2017    |     2016    |     2015    |     2014    |     2013 & earlier


M.I. Jeraal, S. Sung, A.A. Lapkin, A Machine Learning-Enabled Autonomous Flow Chemistry Platform for Process Optimization of Multiple Reaction Metrics. Chemistry–Methods, 2 (2021) 71-77.

L. Cao, D. Russo, K. Felton, D. Salley, A. Sharma, G. Keenan, W. Mauer, H. Gao, L. Cronin, A.A. Lapkin, Optimization of Formulations Using Robotic Experiments Driven by Machine Learning DoE. Cell Reports Physical Science, 2 (2021) 100295. DOI: 10.1016/j.xcrp.2020.100295

M.H. Barecka, J.W. Ager, A.A. Lapkin, Economically viable CO2 electro reduction embedded within ethylene oxide manufacturing, Energy Env. Sci., 14 (2021) 1530-1543.

K.C. Felton, J.G. Rittig, A.A. Lapkin, Summit: Benchmarking machine learning methods for reaction optimisation, Chemistry-Methods, 1 (2021) 116-122.

J.M Weber, C.P. Lindenmeyer, P. Lio, A.A. Lapkin, Teaching sustainability as complex systems approach: a sustainable development goals workshop, Int. J. Sustain. Edu., 22:8 (2021) 25-41. DOI: 10.1108/IJSHE-06-2020-0209 

J.Y. See, S. Song, Y. Xiao, Y. Zhao, A. Lapkin, N. Yan, Synthesis of Sun cream ingredients from corn lignin, Green Chem., (2021). (Accepted)

L.Cao, D. Russo, A.A. Lapkin, Automated robotic platforms in design and development of formulations, AIChE J., e17248 (2021).

O. Mohan, Shambhawi, R. Xu, A.A. Lapkin, S.H. Mushrif, Investigating CO2 methanation on Ni and Ru: DFT assisted microkinetic analysis, ChemCatChem, 13 (2021) 1-15; DOI: 10.1002/cctc.202100073

M.H. Barecka, J.W. Ager, A.A. Lapkin, CO2 on-site recycling: retrofit technology for carbon neutral manufacturing, iScience (2021) DOI:


C. Zhang;  Y. Amar; L. Cao; A. A. Lapkin, Solvent Selection for Mitsunobu Reaction Driven by an Active Learning Surrogate Model. Org. Process Res. Dev. 2020. DOI: 10.1021/acs.oprd.0c00376

A.A. Lapkin, Rational design of continuous flow processes for synthesis of functional molecules, in “Sustainable Nanoscale Engineering”, Eds., G. Szekely, A.G. Livingstone, Elsevier, Amsterdam, 2020. pp. 415-433. doi: 10.1016/B978-0-12-814681-1.00016-3

N.A. Jose, H.C. Zeng, A.A. Lapkin, Scalable and Precise Synthesis of Two-Dimensional Metal Organic Framework Nanosheets in a High Shear Annular Microreactor, Chem. Eng. J., 388 (2020) 124133; doi: 10.1016/j.cej.2020.124133

R.I. Slavchov, M. Salamanca, D. Russo, I. Salama, S. Mosbach, S.M. Clarke, M. Kraft, A.A Lapkin, S.V. Filip, The role of NO2 and NO in the mechanism of hydrocarbon degradation leading to carbonaceous deposits in engines, Fuel 267 (2020) 117218. doi: 10.1016/j.fuel.2020.117218

P. Neumann, L. Cao, D. Russo, V.S. Vassiliadis, A.A. Lapkin, A new formulation for symbolic regression to identify physico-chemical laws from experimental data, Chem. Eng. J., 387 (2020) 123412;

L. Cao, M. Kabeshov, S.V. Ley, A.A. Lapkin, In silico rationalisation of selectivity and reactivity in Pd-catalysed C-H activation reactions, Beilstein J. Org. Chem., 16 (2020) 1465-1475. DOI: 10.3762/bjoc.16.122.

A. Khan, A.A. Lapkin, Searching for optimal process routes: a reinforcement learning approach. Comp. Chem. Eng. 141 (2020) 107027. DOI: 10.1016/j.compchemeng.2020.107027.

O. Mohan, Shambhawi, A.A. Lapkin, S.H. Mushrif, Investigating methane dry reforming on Ni and B promoted Ni surfaces: DFT assisted microkinetic analysis and addressing the coking problem, Catal. Sci. Technol., 10 (2020) 6628-6643. DOI: 10.1039/D0CY00939C

L. Cao, D. Russo, W. Mauer, H.H. Gao, A.A. Lapkin, Machine learning-aided process design for formulated products, in Proceedings of 30th European Symposium on Computer Aided Process Engineering, Computer Aided Chemical Engineering, 48 (2020) 1789-1794, doi: 10.1016/B978-0-12-823377-1.50299-8.

J.M. Weber, A.M. Schweidtmann, E. Nolasco, A.A. Lapkin, Modelling circular structures in reaction networks: Petri nets and reaction network flux analysis, in Proceedings of 30th European Symposium on Computer Aided Process Engineering, Computer Aided Chemical Engineering, 48 (2020) 1843-1848, doi: 10.1016/B978-0-12-823377-1.50308-6.


A.D. Clayton, A.M. Schweidtmann, G. Clemens, J.A. Manson, C.J. Taylor, G.C. Nino, T.W. Chamberlain, N. Kapur, A.J. Blacker, A.A. Lapkin, R.A. Bourne, Automated self-optimisation of multi-step reaction and separation processes using machine learning, Chem. Eng. J., (2019).

Z. Guo, N. Yan, A.A. Lapkin, Towards circular economy: integration of bio-waste into chemical supply chain, Curr. Opinion Chem. Engngn. 26 (2019) 148-156.

J.M. Weber, P. Lio, A. Lapkin, Identification of strategic molecules for future circular supply chains using large reaction networks, React. Chem. Eng., (2019), DOI: 10.1039/c9re00213h

X. Kan, X. Chen, Y. Shen, A.A. Lapkin, M. Kraft, C.-H. Wang, Box-Behnken design based CO2 co-gasification of horticultural waste and sewage sludge with addition of ash from waste as catalyst, Appl. Energy, 242 (2019) 1549-1561; doi: 10.1016/j.apenergy.2019.03.176.

S. Chemat, S. Boudjelal, I. Malki, A. Lapkin, Biosynthesis of spathulenol and camphor stand as a competitive route to artemisinin production as revealed by a new chemometric convergence approach based on nine locations’ field-grown Artemesia annua L., Ind. Crop. Prod., 137 (2019) 521-527. DOI: 10.1016/j.indcrop.2019.05.056.

Y. Amar, A.M. Schweidtmann, P. Deutsch, L. Cao, A. Lapkin, Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis, Chem. Sci., 10 (2019) 6697-6706, DOI: 10.1039/c9sc01844a.

P. Yaseneva, N. An, M. Finn, N. Tidemann, N. Jose, A. Voutchkova-Kostal, A. Lapkin, Continuous synthesis of doped layered double hydroxides in a meso-scale flow reactor, Chem. Eng. J., 360 (2019) 190-199. doi: 10.1016/j.cej.2018.11.197

J.J. Varghese, L. Cao, C. Robertson, Y. Yang, L.F. Gladden, A.A. Lapkin, S.H. Mushrif, Synergistic Contribution of the Acidic Metal Oxide-Metal Couple and Solvent Environment in the Selective Hydrogenolysis of Glycerol: a Combined Experimental and Computational Study Using ReOx-Ir as the Catalyst, ACS Catal., 9 (2019) 485-503. doi: 10.1021/acscatal.8b03079

W. Gerlinger, J.M. Asua, T. Chaloupka, J.M.M. Faust, F. Gjertsen, S. Hamzehlou, S.O. Hauger, E. Jahns, P.J. Joy, J. Kosek, A. Lapkin, J.R. Leiza, A. Mhamdi, A. Mitsos, O. Naeem, N. Rajabalinia, P. Singstad, J. Suberu, Dynamic optimisation and non-linear model predictive control to achieve target particle morphologies, Chem. Ing. Tech., 91 (2019) 3-14, doi: 10.1002/cite.201800118.

N. Jose, A. Lapkin, Influence of hydrodynamics on wet syntheses of nanomaterials, in “Advanced Nanomaterials for Catalysis and Energy”, Ed. V.A. Sadykov, Elsevier, Amsterdam, 2019. pp. 29-60.

X. Li, Y. Shen, L. Wei, C. He, A.A. Lapkin, W. Lipinski, Y. Dai, C.-H. Wang, Hydrogen production of solar-driven steam gasification of sewage sludge in an indirectly irradiative fluidized-bed reactor, Appl. Energy 261 (2019) 114229.


J.W. Ager, A.A. Lapkin, Chemical storage of renewable energy, Science 360 (2018) 707-708. DOI: 10.1126/science.aat7918.

Y. Yan, Y. Dai, Y. Yang, A.A. Lapkin, Improved stability of Y2O3 supported Ni catalysts for CO2 methanation by precursor-determined metal-support interaction, Appl. Catal. B: Env., 237 (2018) 504-512, DOI: 10.1016/j.apcatb.2018.06.021.

D.I. Potemkin, D.K. Maslov, K. Loponov, P.V. Snytnikov, Y.V. Shubin, P.E. Plyusnin, D.A. Svintsitskiy, V.A. Sobyanin, A.A. Lapkin, A. A., Porous Nanocrystalline Silicon Supported Bimetallic Pd-Au Catalysts: Preparation, Characterization, and Direct Hydrogen Peroxide Synthesis. Frontiers in Chemistry 6 (2018) 85. DOI: 10.3389/fchem.2018.00085.

P.-M. Jacob, A. Lapkin, Statistics of the network of organic chemistry, React. Chem. Eng., 3 (2018) 102–118. DOI: 10.1039/c7re00129k.

R. Milkus, C. Ness, V.V. Palyulin, J. Weber, A. Lapkin, A. Zaccone, Interpretation of the Vibrational Spectra of Glassy Polymers Using Coarse-Grained Simulations. Macromolecules 51 (2018) 1559-1572. DOI: 10.1021/acs.macromol.7b02352.

E. Bradford, A.M. Schweidtmann, A. Lapkin, Efficient multiobjective optimization employing Gaussian processes, spectral sampling and a genetic algorithm, J. Global Optim., 71 (2018). 407-438. DOI: 10.1007/s10898-018-0609-2.

D. Kralisch, D. Ott, A.A. Lapkin, P. Yaseneva, W. De Soete, M. Jones, N. Minkov, M. Finkbeiner, The need for innovation management and decision guidance in sustainable process design, J. Cleaner Prod., 172 (2018) 2374-2388. DOI: 10.1016/j.jclepro.2017.11.173

S.M. Aworinde, A.M. Schweidtmann, A.A. Lapkin, The concept of selectivity control by simultaneous attenuation of feed concentration and temperature in a microstructured reactor, Chem. Eng. J. 331 (2018) 765-776. DOI: 10.1016/j.cej.2017.09.03

S.M. Aworinde, K. Wang, A.A. Lapkin, Borate-assisted liquid-phase oxidation of n-pentane, Appl. Catal. A: Gen., 563 (2018) 28-42. DOI: 10.1016/j.apcata.2018.06.023

A.M. Schweidtmann, A.D. Clayton, N. Holmes, E. Bradford, R.A. Bourne, A.A. Lapkin, Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives, Chem. Eng. J. 352 (2018) 277-282. DOI: 10.1016/j.cej.2018.07.031

I. Peñafiel, A. Martínez-Lombardia, C. Godard, C. Claver, A. Lapkin, Recyclable supported Pd-NHC catalytic systems for the copper-free Sonogashira cross-coupling in flow, Sust. Chem. Pharmacy 9 (2018) 69-75 DOI: 10.1016/j.scp.2018.06.003

A. Lapkin, Chemical engineering science and green chemistry - the challenge of sustainability, in “Green Chemical Engineering”, v.12 Handbook of Green Chemistry, Series ed. P. Anastas, Volume ed. A. Lapkin, Wiley-VCH, 2018. pp. 1-18.

C.S. Horbaczewskyj, C.E. Willans, A.A. Lapkin, R.A. Bourne, An introduction to closed-loop process optimization and online analysis”, in “Green Chemical Engineering”, v.12 Handbook of Green Chemistry, Series ed. P. Anastas, Volume ed. A. Lapkin, Wiley-VCH, 2018. pp. 329-374.

N. Jose, H.C. Zeng, A.A. Lapkin, Hydrodynamic assembly of two-dimensional layered double hydroxide nanostructures, Nature Commun., 9 (2018) 4913. DOI: 10.1038/s41467-018-07395-4

Y. Shen, C. He, X. Chen, A.A. Lapkin, W. Xiao, C.-H. Wang, Nitrogen removal and energy recovery from sewage sludge by combined hydrothermal pretreatment and CO2 gasification, ACS Sust. Chem. Eng., 6 (2018) 16629-16636. doi: 10.1021/acssuschemeng.8b03857


D. Russo, I.D. Somma, R. Marotta, G. Tomaiuolo, R. Andreozzi, S. Guido, A.A. Lapkin, Intensification of Nitrobenzaldehydes Synthesis from Benzyl Alcohol in a Microreactor, Org. Process Res. Dev., 21 (2017) 357-364. DOI: 10.1021/acs.oprd.6b00426

D. Helmdach, P. Yaseneva, P.K. Heer, A. Schweidtmann, A. Lapkin, A multi-objective optimisation including results of life cycle assessment in developing bio-renewable-based processes, ChemSusChem 10 (2017) 3632-3643. DOI: 10.1002/cssc.201700927.

A. Echtermeyer, Y. Amar, J. Zakrzewski, A. Lapkin, Self-optimisation and model-based design of experiments for developing a C–H activation flow process, Beilstein J. Org. Chem., 13 (2017) 150–163. DOI: 10.3762/bjoc.13.18

P.-M. Jacob, P. Yamin, C. Perez-Storey, M. Hopgood, and A.A. Lapkin, Towards automation of chemical process route selection based on data mining, Green Chem., 19 (2017) 140-152. doi: 10.1039/C6GC02482C.

P.-M. Jacob, T. Lan, J.M. Goodman, A.A. Lapkin, A possible extension to the RInChI as a means of providing machine readable process data, J. Chemoinformatics. 9:23 (2017). doi: 10.1186/s13321-017-0210-6.

A.A. Lapkin, P.K. Heer, P.-M. Jacob, M. Hutchby, W. Cunningham, S.D. Bull, M.G. Davidson. Automation of route identification and optimisation based on datamining and chemical intuition, Faraday Discussions 202 (2017) 483-496. DOI: 10.1039/C7FD00073A.

D.D. Plaza, V. Strobel, P.K.K.S. Heer, A.B. Sellars, S.-S. Hoong, A.J. Clark, A.A. Lapkin, Direct valorisation of waste cocoa butter triglycerides via catalytic epoxidation, ring-opening and polymerisation, J. Chem. Technol. Biotechnol. 92 (2017) 2254-2266. DOI: 10.1002/jctb.5292

I. Penafiel, A. Lapkin, Flow systems for NHC catalysis, in “Science of synthesis reference library: N-heterocyclic carbenes in organic synthesis”, Eds., S.P. Nolan, C.S.J. Cazin, Georg Thieme Verlag KG, Stuttgart, New York, 2017, pp 369-394.

A. Lapkin, K. Loponov, G. Tomaiuolo, S. Guido, Solids in continuous flow reactors for specialty and pharmaceutical syntheses, in “Sustainable Flow Chemistry - Methods and Applications”, Ed. L. Vaccaro, Wiley, 2017.

A. Lapkin, P. Yaseneva, Life Cycle Assessment of Flow Chemistry Processes, in “Sustainable Flow Chemistry - Methods and Applications”, Ed. L. Vaccaro, Wiley, 2017.


X. Fan,  V. Sans,  S.K. Sharma,  P.K. Plucinski,  V.A. Zaikovskii,  K. Wilson, S. R. Tennison,  A. Kozynchenko,  A.A. Lapkin, Pd/C catalysts based on synthetic carbons with bi- and tri-modal pore-size distribution: applications in flow chemistry, Catal. Sci. Technol., 6 (2016) 2387-2395. DOI: 10.1039/c5cy01401h

J. Zakrzhewski, A.P. Smalley, M. Kabeshov, A. Lapkin, M. Gaunt, Continuous flow synthesis and derivatization of aziridines via palladium-catalyzed C(sp3)-H activation, Angew. Chem. Int. Ed., 55 (2016) 8878-8883. DOI: 10.1002/anie.201602483

X. Fan, F. Xing, X. Ou, G.A. Turley, P. Denissenko, M.A. Williams, N. Batail, C. Pham, A.A. Lapkin, Microtomography-based numerical simulations of heat transfer and fluid flow through β-SiC open-cell foams for catalysis, Catal. Today (2016)

P. Yaseneva, P. Hodgson, J. Zakrzewski, S. Falss, R.E. Meadows, A.A. Lapkin, Continuous flow Buchwald-Hartwig amination of a pharmaceutical intermediate, React. Chem. Eng., 1 (2016) 229-238. DOI: 10.1039/c5re00048c.

S. Falß, G. Tomaiuolo, A. Perazzo, P. Yaseneva, J. Zakrzewski, S. Guido, A. Lapkin, R. Woodward, R.E. Meadows, A Continuous Process for Buchwald-Hartwig Amination at Micro- Lab- and Multi-Kilo Scale, Org. Proc. Res. Des. 20(2) (2016) 558-567. DOI: 10.1021/acs.oprd.5b00350

J. Suberu, P. Yamin, R. Cornell, A. Sam, A. Lapkin, Feasibility of using 2,3,3,3-tetrafluoropropene (R1234yf) as a solvent for solid-liquid extraction of biopharmaceuticals, ACS Sustainable Chem. Eng. 4 (2016) 2559-2568. DOI: 10.1021/acssuschemeng.5b01721.

J. Suberu, P.S. Gromski, A. Nordon, A. Lapkin, Multivariate data analysis and metabolic profiling of artemisinin and related compounds in high yielding varieties of Artemisia annua field-grown in Madagascar, J. Pharmaceutical and Biomed. Analysis, 117 (2016) 522-531. doi:10.1016/j.jpba.2015.10.003

A. Lapkin, P.-M. Jacob, P. Yaseneva, C. Gordon, A. Peace, Assessment of sustainability within holistic process design, in “Sustainability Assessment of Renewables-Based Products: Methods and Case Studies“, Eds. J. Dewulf, S.D. Meester, R. Alvarenga., Wiley. 2016


C. Houben, G. Nurumbetov, D. Haddleton, A.A. Lapkin, Feasibility of simultaneous determination of monomer concentrations and particle size in emulsion polymerization using in situ Raman spectroscopy, Ind. Eng. Chem. Res. 54 (2015) 12867-12876. DOI:

C. Houben, A. Lapkin, Automatic discovery and optimisation of chemical processes, Curr. Opinion in Chem. Engng., 9 (2015) 1-7.

C. Houben, N. Peremezhney, A. Zubov, J. Kosek, A.A. Lapkin, Closed-loop multi-target optimisation for discovery of new emulsion polymerisation recipes, Org. Process Res. Dev., 19 (2015) 1049-1053. DOI: 10.1021/acs.oprd.5b00210

C. Schotten, D. Plaza, S. Manzini, S.P. Nolan, S.V. Ley, D.L. Browne, A. Lapkin, Continuous Flow Metathesis for Direct Valorization of Food Waste: An Example of Cocoa Butter Triglyceride, ACS Sust. Chem. Eng., 3 (2015) 1453-1459. DOI: 10.1021/acssuschemeng.5b00397

P. Yaseneva, D. Plaza, X. Fan, K. Loponov, A. Lapkin, Synthesis of the antimalarial API artemether in a flow reactor, Catal. Today, 239 (2015) 90-96.

L. Torrente-Marciano, D. Nielsen, R. Jackstell, M. Beller, K. Cavell, A. Lapkin, Selective telomerisation of isoprene with methanol by a heterogeneous palladium resin catalyst. Catal. Sci. Technol., 5 (2015) 1206-1212. DOI: 10.1039/c4cy01320d.

A. Martinez-Lombardia, J. Krinsky, I. Peñafiel, S. Castillón, K. Loponov, A. Lapkin, C. Godard, C. Claver, Heterogenization of Pd-NHC complexes onto a silica support and their application in the Suzuki-Miyaura coupling under batch and continuous flow conditions, Cat. Sci. Technol., 5 (2015) 310-319. DOI: 10.1039/c4cy00829d

A. Lapkin, Green Extraction of Artemisinin from Artemisia annua  L, In “Green Extraction of Natural Products: Theory and Practice”, Eds. F. Chemat, J. Strube, Wiley-VCH, 2015.


N. Peremezhney, E. Hines, A. Lapkin, C. Connaughton, Combining Gaussian processes, mutual information and a generic algorithm for multi-targeted optimisation of expensive-to-evaluate functions, Engineering Optimisation, 46 (2014) 1593-1607.

X. Fan, J. Restivo, J.J. Órfão, M.F.R. Pereira, A. Lapkin, The role of multi walled carbon nanotubes (MWCNTs) in catalytic ozonation of atrazine, Chemical Engineering Journal, 241 (2014) 66-76.

J.O. Suberu, P. Yamin, K. Leonhard, L. Song, S. Chemat, N. Sullivan, G. Barker, A. Lapkin, The effect of O-methylated flavonoids and other co-metabolites on the crystallisation and purification of artemisinin, J. Biotechnol., 171 (2014) 25-33.

A. Lapkin, E. Adou, B.N. Mlambo, S. Chemat, J. Suberu, A.E.C. Collis, A. Clark, G. Barker, Integrating medicinal plants extraction into a high-value biorefinery: an example of Artemisia annua L. Comptes Rendus - Chimie, 17 (2014) 232-241.

V. Sans, S. Glatzel, F.J. Douglas, D.A. Maclaren, A. Lapkin, L. Cronin, Non-equilibrium dynamic control of gold nanoparticle and hyperbranched nanogold assemblies, Chemical Science, 5 (2014) 1153-1157.

P. Yaseneva, C.F. Marti, E. Palomares, X. Fan, T. Morgan, P.S. Perez, M. Ronning, F. Huang, T. Yuranova, L. Kiwi-Minsker, S. Derrouiche, A.A. Lapkin, Efficient reduction of bromates using carbon nanofibre supported catalysts: experimental and a comparative life cycle assessment study, Chemical Engineering Journal, 248 (2014) 230-241. 

L. Torrente-Murciano, D.J. Nielsen, K.J. Cavell, A.A. Lapkin, Tandem isomerization/telomerization of long chain dienes, Frontiers in Chemistry, 2 (2014) Article 37, 1-5, DOI: 10.3389/fchem.2014.00037.

N. Peremezhney, P.-M. Jacob, A. Lapkin, Alternative methods of processing bio-feedstocks in formulated consumer products design, Frontiers in Chemistry, 2 (2014) Article 26, 1-6, DOI: 10.3389/fchem.2014.00026.

J.O. Suberu, I, Romero-Canelón, N. Sullivan, A.A. Lapkin, G.C. Barker, Comparative cytotoxicity of artemisinin and cisplatin and their interactions with chlorogenic acids in MCF7 breast cancer cells, ChemMedChem, 9 (2014) 2791-2798.

K.N. Loponov, J. Lopes, M. Barlog, E.V. Astrova, A.V. Malkov, A.A. Lapkin, Optimization of a Scalable Photochemical Reactor for Reactions with Singlet Oxygen, Org.Proc.Res.Dev., 18 (2014) 1443-1454.


J.O. Suberu, A.P. Gorka, L. Jacobs, P.D. Roepe, N. Sullivan, G.C. Barker, A.A. Lapkin, Anti-Plasmodial Polyvalent Interactions in Artemisia annua L. Aqueous Extract – Possible Synergistic and Resistance Mechanisms, PLOS One 8:11 (2013) e80790.

J. Suberu, L. Song, S. Slade, N. Sullivan, G. Barker, A. Lapkin, A rapid method for the determination of artemisinin and its biosynthetic precursors in Artemisia annua L. crude extracts, J. Pharmaceutical and Biomedical Analysis, 84 (2013) 269-277.

D. Haddleton, J. Burns, C. Houben, C. Waldron, A. Anastasaki and A. Lapkin, Poly(acrylates) via SET-LRP in a continuous flow reactor, Polymer Chemistry 4 (2013) 4809-4813, DOI: 10.1039/C3PY00833A

Earlier papers are affiliated with: University of Warwick, University of Bath, and Boreskov Institute of Catalysis.