This study investigates how circadian clock regulation impacts carbon partitioning between storage, growth, and product synthesis in Synechococcus elongatus PCC 7942 in providing insights for potential strategies for enhanced bioproduction. In our analysis we explore circadian regulatory rewiring of...

Felsted, R. G.; Graham, T. R.; Zhao, Y.; Bazak, J. D.; Nienhuis, E.; Pauzauskie, P.; Joly, A; Pearce, C.; Wang, Z.; Rosso, K. Anionic effects on concentrated aqueous lithium ion dynamics. J. Phys. Chem. Lett . 2024, 15, 5076-5087. DOI: 10.1021/acs.jpclett.4c00585 The dynamics, orientational...

Graham, T. R.; Hu, J. Z.; Jaegers, N. R.; Zhang, Xin; Pearce, C. I.; Rosso, K. M. An amorphous sodium aluminate hydrate phase mediates coordination change in highly alkaline sodium hydroxide solutions. Inorg. Chem. Front . 2022. 9(24), 6344-6357. DOI: 10.1039/D2QI01642G Aluminum (Al) transformations...

Lambros, E.; B. Link; M. Chow; S. Hammes-Schiffer; X. Li. Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework. J. Phys. Chem. Lett. 2023. 14(12), 2990-2995. DOI: 10.1021/acs.jpclett.3c00471 To explicitly account for nuclear quantum effects and solvent environments in...

Ho, T. A.; Rosso, K. M.; Criscenti, L. J. Atomistic Mismatch Defines Energy−Structure Relationships during Oriented Attachment of Nanoparticles. J. Phys. Chem. Lett. 2022 . 13, 9339-9347. DOI: 10.1021/acs.jpclett.2c02511 Oriented attachment is an important crystal growth pathway in nature and has...

Reynolds, J. G.; Nienhuis, E. T.; Mergelsberg, S. T.; Pearce, C. I.; Rosso, K. M. The Apparent Reversal of the Law of Mass Action in Concentrated Multicomponent Aqueous Solutions. J Mol Liq . 2023. 377, 121470. DOI: 10.1016/j.molliq.2023.121470 Although it is well known that aqueous electrolyte...

Liu, A; Chow M.; Wildman, A.; Frisch, M. J.; Hammes-Schiffer, S.; Li, X. Simultaneous Optimization of Nuclear-Electronic Orbitals. J. Phys. Chem . A. 2022. 126(39), 7033-7039. DOI: 10.1021/acs.jpca.2c05172 Accurate modeling of important nuclear quantum effects, such as nuclear delocalization, zero...

Smith, W.; Pouvreau, M.; Rosso, K.; Clark, A.E. pH Dependent Reactivity of Boehmite Surfaces from First-Principles Molecular Dynamics. Phys. Chem. Chem. Phys . 2022. 24(23), 14177-14186. DOI: 10.1039/D2CP00534D pH dependent interfacial chemistry depends upon the distribution and respective pKa...

Zhou, J.; Xue, S.; Liu, L.; Zhang, X.; Rosso, K. M. Particle-Based Crystallization. ACS Symposium Series: Crystallization via Non-Classical Pathways Vol II: Aggregation, Biomineralization, Imaging & Application. 2021 . Vol. 1383, 37-73. DOI: 10.1021/bk-2021-1383.ch002 . Particle-based...

Reynolds, J. G.; Graham, T. R.; Pearce, C. I. Ion hydration controls self-diffusion in multicomponent aqueous electrolyte solutions of NaNO2-NaOH-H2O. Journal of Molecular Liquids . 2022. 360, 119441. DOI: 10.1016/j.molliq.2022.119441 Determining the diffusive properties of multicomponent...

Lee, J., E. Nakouzi, J. Heo, B. A. Legg, G. K. Schenter, D. Li, C. Park, H. Ma, J. Chun. Effects of particle shape and surface roughness on van der Waals interactions and coupling to dynamics in nanocrystals. J. Colloid Interface Sci . 2023. 652,1974-1983. DOI: 10.1016/j.jcis.2023.08.160 The van der...

Lambros, E., J. H. Fetherolf, S. Hammes-Schiffer, X. Li. A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters. J. Phys. Chem . Lett. 2024, 15, 4070-4075. DOI: 10.1021/acs.pclett.4c00439 Nuclear quantum effects play an important role in the structure and thermodynamics of aqueous...

Graham, T. R.; Nienhuis, E. T.; Reynolds, J. G.; Marcial, J.; Loring, J. S.; Rosso, K. M.; Pearce, C. I. Sodium site occupancy and phosphate speciation in Natrophosphate are invariant to changes in NaF and Na3PO4 concentration. Inorg. Chem. Front . 2022. 9(19), 4864-4875. DOI: 10.1039/d2qi00868h...

Wei, Y.; E. T. Nienhuis; S. T. Mergelsberg; T. R. Graham; Q. Guo, G. K. Schenter; C. I. Pearce; A.E. Clark. Cation Coordination Polyhedra Lead to Multiple Lengthscale Organization in Aqueous Electrolytes. Chem. Commun . 2023. 59 (69), 10400-10403. DOI: 10.1039/D3CC02416D Understanding multiple...

Heo, J.; P. Butreddy; G. K. Schenter; C. J. Mundy; J. J. DeYoreo; E. Nakouzi; J. Lee; J. Chun. Colloidal phenomena reflect the interplay between interfacial solution structure, interparticle forces, and dynamical response. COCIS . 2024. DOI: 10.1016/j.cocis.2024.101887 . The physical and chemical...