• Lustosa, D. M.; Milo, A. Mechanistic Inference from Statistical Models at Different Data-Size Regimes. ACS Catal. 2022, 12, 7886–7906.

• Lustosa, D. M. ¹; Barkai, S.¹;  Domb, I. ¹; Milo, A. Effect of solvents on Proline modified at the secondary sphere: A multivariate exploration. J. Org. Chem., 2022.
  ( ¹ contributed equally, ASAP Solvation Effects in Organic Chemistry special issue)

• Domb, I. ¹; Lustosa, D. M. ¹; Milo, A. Secondary-sphere modification in proline catalysis: Old friend, new connection. Chem. Commun., 2022.
  ( ¹ contributed equally, advance article Emerging Investigators collection)

• Nandi, A.; Alassad, Z.; Milo A.; Kozuch, S. Quantum tunneling on carbene organocatalysis: Breslow intermediate formation via water-bridges. ACS Catal. 2021, 11, 14836–14841.

• Gadekar S. C. ¹; Dhayalan V. ¹; Zak, I. L.; Nandi, A.; Shema Mizrachi, M.; Kozuch, S.; Milo, A. Rerouting the Organocatalytic Benzoin Reaction toward Aldehyde Deuteration. ACS Catal., 2021, 11, 14561-14569.
  ( ¹ contributed equally)

• Milo, A. Young Career Focus: Dr. Anat Milo (Ben-Gurion University, Israel). Sythesis 2021, 53, A58-A61.

• Zak, I. L. ¹; Gadekar, S. C. ¹; Milo, A. Designing the Secondary Coordination Sphere in Small-Molecule Catalysis. Synlett, 2021, 32, 329-336.
  ( ¹ contributed equally, Invited synpacts article)

• Abo Raed, A. ¹; Dhayalan, V. ¹; Barkai, S.; Milo, A. N-Heterocyclic Carbene Triazolium Salts Containing Brominated Aromatic Motifs: Features and Synthetic Protocol. CHIMIA, 2020, 74, 878-882.
  ( ¹ contributed equally, Invited, Published as part of the special issue on Innovative Tools in Organic / Organometallic Chemistry)

• Dhayalan, V. ¹; Gadekar, S. C. ¹; Alassad, Z. ¹; Milo, A. Unravelling mechanistic features of organocatalysis with in situ modifications at the secondary sphere. Nat. Chem. 2019, 11, 543–551.
  ( ¹ contributed equally)

Editors’ Choice: Yeston, J. Outside help for a carbene catalyst. Science 2019, 364, 967-968.

Alassad, Z.  Modifications of organocatalysts in the reaction vessel to control enantioselectivity. (Nature community-behind the paper)

• Dhayalan, V.; Mal, K.; Milo, A. Practical Synthesis of Chiral N-Heterocyclic Carbene Triazolium Salts Containing a Hydroxy Functional Handle. Synthesis 2019, 51, 2845-2864.
  (Invited, Published as part of the Bürgenstock Special Section 2018 Future Stars in Organic Chemistry)

• Aspuru-Guzik, A. et al. Charting a course for chemistry. Nat. Chem. 2019, 11, 286.

• Milo, A. Democratizing synthesis by automation. Science 2019, 363, 122.

• Milo, A.; Pérez Temprano, M. H. Highlights from the 53rd EUCHEM conference on stereochemistry, Bürgenstock, Switzerland, May 2018. Chem. Commun. 2018, 54, 10014. 

• Milo, A. The art of organic synthesis in the age of automation.Isr. J. Chem. 2018, 58, 131. (Invited)

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• Santiago, C. B.; Milo, A.; Sigman, M. S. Developing a modern approach to account for steric effects in Hammett-type correlations. J. Am. Chem. Soc. 2016, 138, 13424–13430.

Spotlights on Recent JACS Publications: Su, X. Steric effects clarified for Hammett analysis. J. Am. Chem. Soc. 2016, 138, 14159–14159.

• Sigman, M. S.; Harper, K. C.; Bess, E. N.; Milo, A. The development of multidimensional analysis tools for asymmetric catalysis and beyond. Acc. Chem. Res. 2016, 49, 1292–1301.

• Niemeyer, Z. L.; Milo, A.; Hickey, D. P.; Sigman, M. S. Parameterization of phosphine ligands reveals mechanistic pathways and predicts reaction outcomes. Nat. Chem.  2016, 8, 610–617.

• Neel, A. J. ¹; Milo, A. ¹; Sigman, M. S.; Toste, F. D. Enantiodivergent fluorination of allylic alcohols: dataset design reveals structural interplay between achiral directing group and chiral anion. J. Am. Chem. Soc. 2016, 138, 3863–3875.
  ( ¹ contributed equally)

Highlighted: List, B.; Mandrelli F. Data Set Design for the Asymmetric Fluorination of Allylic Alcohols. Synfacts 2016, 12, 0637.

Spotlights on Recent JACS Publications: Su, X. Enantiomeric Excess Helps Identify Origin of Enantioselectivity. J.  Am. Chem. Soc. 2016, 138, 3933–3934.

• Milo, A. ¹; Neel, A. J. ¹; Toste, F. D.; Sigman, M. S. A data-intensive approach to mechanistic elucidation applied to chiral anion catalysis. Science 2015, 347, 737-743.
  ( ¹ contributed equally)

Perspective: Lu, T.; Wheeler, S. E. Harnessing weak interactions for enantioselective catalysis. Science 2015, 347, 719-720.

Research highlight: Hennessy, J. Asymmetric synthesis: Catalysis exposed. Nat. Chem. 2015, 7, 270-270.

Highlighted: University of Utah press release, C&E News, Phys.org, ScienceDaily, Forbes.

• Milo, A.; Bess, E. N.; Sigman, M. S. Interrogating selectivity in catalysis using molecular vibrations. Nature 2014, 507, 210-214.

Selected by Chemicals Technology as one of the biggest Chemicals Technology stories of 2014.

Highlighted: University of Utah press release, C&E News, Phys.org, ScienceDaily.

• Milo, A.; Neumann, R. Achiral ruthenium catalyst encapsulated in titanium phosphonate homochiral peptide-based solids for enantioselective hydrogenation of ketones to secondary alcohols. ACS Catal. 2012, 2, 2531-2536.

• Milo, A.; Neumann, R. An achiral manganese salen catalyst encapsulated in a peptidic phosphonate homochiral solid for the enantioselective formation of diols by consecutive epoxidation and hydration reactions. Chem. Commun. 2011, 47, 2535-2537.

• Milo, A.; Neumann, R. A tripodal peptidic titanium phosphonate as a homochiral porous solid medium for the heterogeneous enantioselective hydration of epoxides. Adv. Synth. Catal. 2010, 352, 2159-2165.