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...

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...

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...

Lambros, E., B. Link, M. Chow, F. Lipparini, S. Hammes-Schiffer, X. Li. Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear–Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics. J. Phys. Chem. A . 2023. 127(44) 9322-9333. DOI: 10.1021/acs.jpca.3c03153...

Chen, Q.; X. Zhang. Nanoparticle Self-Assemblies with Modern Complexity. MRS Bulletin , 2024, 49, 310-318. DOI: 10.1557/s43577-024-00700-1 Thanks to decades of tireless efforts, nanoparticle assemblies have reached an extremely high level of controllability, sophistication, and complexity, with new...

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...

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...

Guo, Q., M. Pouvreau, K. M. Rosso, A. E. Clark. Mechanisms of dissolution from gibbsite step edges elucidated by ab initio molecular dynamics with enhanced sampling. Science Direct: Geochimica et Cosmochimica Acta . 2023. 366, 201-209. DOI: 10.1016/j.gca.2023.11.007 Surface reactions underpin our...

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, L.; B. A. Legg, W. Smith, L. M. Anovitz, X. Zhang, R. Harper, C. I. Pearce, K. M. Rosso, A. G. Stack, M. Bleuel, D. F. R. Mildner, G. K. Schenter, A. E. Clark, J. J. De Yoreo, J. Chun, E. Nakouzi. Predicting Outcomes of Nanoparticle Attachment by Connecting Atomistic, Interfacial, Particle, and...

Zhao, Y.; P. Chen; X. Wang; H. Hlushko; J. A. LaVerne; L. Liu; C. I. Pearce; Z. Wang; K. M. Rosso; X. Zhang. Effect of 60CO Irradiation on Boehmite Dissolution in Caustic Solutions. Environ. Sci. Tech . 2024. 58(49), 21760-21769. DOI: 10.1021/acs.est.4c07544 Here, we examine how radiation impacts...

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...

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...

Zhao, Y.; Q. Guo; S. Xue; P. Chen; Q. Zhao; L. Liu; H. Hlushko; J. LaVerne; C. Pearce; A. Miao; Z. Wang; K. M. Rosso; X. Zhang. Effect of Adsorbed Carboxylates on the Dissolution of Boehmite Nanoplates in Highly Alkaline Solutions. ES&T . 2024. 58(4): 2017-2026. DOI: 10.1021/acs.est.3c06595...

Buttreddy, P.; J. Heo; T. Liu; L. Liu; W.T. Smith; X. Zhang; M. P. Prange; B. A. Legg; G. K. Schenter; J. J. De Yoreo; J. Chun; A. G. Stack; E. Nakouzi. Ion correlations decrease particle aggregation rate by altering interfacial solution structure to enhance hydration forces. ACS Nano . 2024. 18(38)...