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...
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Zhao, Y.; M. Prange; M. Zong; Y. Wang; E. Walter; Y. Chen; Z. Zhu; M. H. Engelhard; X. Wang; X. Zhao; C. I. Pearce; A. Miao; Z. Wang; K. M. Rosso; X. Zhang. Understanding Trace Iron and Chromium Incorporation During Gibbsite Crystallization and Effects on Mineral Dissolution. Environ. Sci. Tech...
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...
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...
Kundu, S.; Hu, H.; Li, X.; Schaible, M. J.; Orlando, T. M. Electron Scattering with Ethane Adsorbed on Rare Gas Multilayers: Hole Transfer, Coulomb Decay and Ion Dissociation. J. Chem. Phys . 2023. 158(12), 124309. DOI: 10.1063/5.0099594 Positive ion desorption following electron impact dissociative...
Nienhuis, E. T.; Pouvreau, M.; Graham, T. R.; Prange, M. P.; Page, K.; Loring, J. S.; Stack, A. G.; Clark, A. E.; Schenter, G. K.; Rosso, K. M.; Pearce, C. I.; Wang, H.-W. Structure and reactivity of sodium aluminate complexes in alkaline solutions. J. Mol. Liq . 2022. 367(Part A), 120379. DOI: 10...
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...
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...
Graham, T., Y. Wei, E. D. Walter, E. T. Nienhuis, J. Chun, G. K. Schenter, K. M. Rosso, C. I. Pearce, A. E. Clark. Tracking nitrite's deviation from Stokes–Einstein predictions with pulsed field gradient 15N NMR spectroscopy. Chemical Communications . 2023. 59(97), 14407-14410. DOI: 10.1039...
Chen, P.; Zhu, Y.; Bergman, R.; Xue, S.; Zhao, Y.; LaVerne, J.; Guo, X.; Pearce, C. I.; Wang, Z.; Chen, T.; Rosso, K.; Zhang, X. Effects of Ionizing Radiation on the Thermodynamic Stability of Boehmite and Gibbsite. J. Phys. Chem. C . 2024. 128(8), 3578-3587. DOI: 10.1021/acs.jpcc.3c08456 We...
Pouvreau, M.; Q. Guo, H.-W. Wang, G.K. Schenter, C. I. Pearce, A. E. Clark, K. M. Rosso. An Efficient Reactive Force Field without Explicit Coordination Dependence for Studying Caustic Aluminum Chemistry. J. Phys. Chem. Lett . 2023. 14, 6743-6748. DOI: 10.1021/acs.jpclett.3c01176 Reactive force...
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...
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...
Zhao X.; Rangel Guillen, T.; Graham, T. R.; Chen, P.; Zhao, Y.; Mergelsberg, S. T.; Zhu, Z.; Wang, Z.; Rosso, K. M.; Guo, X.; Zhang, X.; Incorporation of rare earth elements Sc, Y and La into gibbsite. J. Chem. Eng . 2024. 485:149809. DOI: 10.1016/j.cej.2024.149809 Rare earth elements (REE) are...