Additional file 1 of The plastome reveals new insights into the evolutionary and domestication history of peonies in East Asia

Supplementary Material

Rapid Amorphization in MOF/Metal Selenite Nanocomposites for Enhanced Capacity in Supercapacitors

MOF/inorganic nanocomposites combine the advantages of each component. Herein, two MOF/metal selenite nanocomposites, Co-NH2-BDC/CoSeO3·H2O and Co-BDC/CoSeO3·H2O, are prepared on nickel foam through a facile two-step hydrothermal method, which inherit the 2D morphology and porosity properties of their MOF precursors. Furthermore, during the electrochemical activation process, the crystallized nanocomposites can easily transform into amorphous structures in a short time of 20 min in the presence of an electric field, similar to CoSeO3·H2O. Due to amorphization, the electrochemical performance of the two nanocomposites is much enhanced relative to that of their MOF precursors. Specifically, the areal capacitances of Co-NH2-BDC/CoSeO3·H2O and Co-BDC/CoSeO3·H2O are 5.35 and 10.65 F·cm–2 at 2 mA·cm–2, respectively. The assembled asymmetric supercapacitor (ASC) using Co-NH2-BDC/CoSeO3·H2O as positive electrodes delivers an energy density of 0.207 mWh·cm–2 at a power density of 0.799 mW·cm–2 with outstanding cycling stability (93% capacity retention after 5000 cycles). Using Co-BDC/CoSeO3·H2O as positive electrodes, the ASC can reach a high energy density of 0.483 mWh·cm–2 at a power density of 0.741 mW·cm–2 and 84% capacity retention after 5000 cycles. This work provides an efficient strategy for constructing MOF/metal selenite nanocomposites for energy storage and conversion

DataSheet_1_Incorporating Local Adaptation Into Species Distribution Modeling of Paeonia mairei, an Endemic Plant to China.xlsx

Paeonia (Paeoniaceae), a culturally and economically important plant genus, has an isolated taxonomy while the evolution of this genus is unclear. A plant species endemic to southwest China, Paeonia mairei is precious germplasm for evolution-related research and cultivar improvement, and its conservation is urgent. However, little is known about its patterns of habitat distribution and responses to climate change. Using 98 occurrence sites and data of 19 bioclimatic variables, we conducted principal component analysis and hierarchical cluster analysis to delineate different climatic populations. Maximum entropy algorithm (MaxEnt) was applied to each population to evaluate the importance of environmental variables in shaping their distribution, and to identify distribution shifts under different climate change scenarios. We also applied MaxEnt to all of the P. mairei presence sites (P_Whole) to evaluate the need to construct separate species distribution models for separate populations rather than a common approach by treating them as a whole. Our results show that local adaptation exists within the distribution range of P. mairei and that all presence sites were clustered into a western population (P_West) and an eastern population (P_East). Two variables (precipitation of the driest month and temperature seasonality) are important when shaping the distribution of P_West, and another two variables (mean diurnal range and mean temperature of the wettest quarter) are important for P_East. Both populations are likely to shift upward under climate change, while P_East may lose most current suitable areas while P_West may not. P_Whole produced a narrower area compared to the combination of P_West and P_East but a suitable area (south Chongqing) may have been missed in the prediction. Accordingly, a population-based approach in constructing a species distribution model is needed to provide a detailed appreciation of the distribution of P. mairei, allowing for a population-based conservation strategy. In this case, it could include assisted migration to new and suitable distribution areas for P_West and in situ conservation in high elevation regions for P_East. The results of our study could be a useful reference for implementing the long-term conservation and further research of P. mairei.</p

Simplification of Corticosteroids Biosynthetic Pathway by Engineering P450BM3

Synthesis of corticosteroids, particularly hydrocortisone, is challenging owing to the complex network requiring pairing of cytochrome P450s with cytochrome P450 reductase (CPR) for achieving regionally selective hydroxylation modifications at multiple sites. Herein, we engineered a self-sufficient P450BM3 (CYP102A1 from Bacillus megaterium) for effectively reducing the traditionally complex, multienzyme cascade process (three steps and six enzymes) of hydrocortisone synthesis from progesterone (PG) to a simplified two-step process involving at least two enzymes. Driven by computational simulation-guided substrate access channel and heme center pocket engineering, a series of P450BM3 variants were gradually designed with the ability to catalyze C16β, C17α, C21, and C17α/21 oxidation of PG and C11α oxidation of cortexolone (c). Subsequently, molecular dynamics simulations with an oxy-ferrous model of P450BM3 variants revealed that the glycine mutations of residues that are repulsive to the substrate allow for more stable exposure of the substrate above FeO. Finally, the developed P450 variants were employed to construct efficient Escherichia coli catalytic systems, which further achieved 11α/β-hydrocortisone (f/e) production in one pot from 1 g/L PG at a molar conversion rate of 81 and 84% (912 and 955 mg/L), respectively. Thus, this study provides feasible strategies for simplifying the biosynthetic steps and biocatalysts for steroidal pharmaceutical production