Additional file 1 of Physiological responses to drought stress of three pine species and comparative transcriptome analysis of Pinus yunnanensis var. pygmaea

Supplementary Material 1

Green and Efficient Methods for One-Pot Aerobic Oxidative Synthesis of Benzimidazoles from Alcohols with TEMPO-PEG₄₀₀₀-NHC-Cu(II) Complex in Water

<div><p></p><p>In this article, an amphiphilic catalyst TEMPO-PEG₄₀₀₀-NHC-Cu(II) [2,2,6,6-tetramethylpiperidine-1-oxyl/polyethylene glycol/<i>N</i>-heterocyclic carbene] complex was synthesized and used as a highly efficient catalyst for one-pot aerobic oxidative synthesis of benzimidazoles from alcohols. The reactions were applicable in water with good yields in the presence of catalyst (5 mol%). Moreover, the catalyst was easily recovered from the reaction mixture and reused with almost consistent activity.</p></div

From Lewis Acid to Lewis Base by La³⁺-to‑Y³⁺ Substitution in α‑YB₅O₉: Local Structure Modification Induced Lewis Basicity

Different from the common perspective of average structure, we propose that the locally elongated metal–oxygen bonds induced by La3+-to-Y3+ substitution to a Lewis acid α-YB5O9 generate medium-strength basic sites. Experimentally, NH3- and CO2-TPD experiments prove that the La3+ doping of α-Y1–xLaxB5O9 (0 ≤ x ≤ 0.24) results in the emergence of new medium-strength basic sites and the increasing La3+ concentration modifies the number, not the strength, of the acidic and basic sites. The catalytic IPA conversion exhibits a reversal of the product selectivity, i.e., from 93% of propylene for α-YB5O9 to ∼90% of acetone for α-Y0.76La0.24B5O9, which means the La3+ doping gradually turns the solid from a Lewis acid to a Lewis base. Besides, α-Y0.76RE0.24B5O9 (RE = Ce, Eu, Gd, Tm) compounds were prepared to consolidate the above conjecture, where the acetone selectivity exhibits a linear dependence on the ionic radius (or electronegativity). This work suggests that the substitution-induced local structure change deserves more attention

Multifunctional Electrocatalysts: Ru–M (M = Co, Ni, Fe) for Alkaline Fuel Cells and Electrolyzers

Moving from proton exchange membrane fuel cells to anion exchange membrane fuel cells (AEMFCs) enables the use of non-Pt-group (NPG) metals as cathodes for the oxygen reduction reaction, since the oxygen reduction kinetics on NPG metals is significantly enhanced in alkaline media. These NPG metal catalysts are also stable under alkaline conditions and cost much less than Pt-group metals. However, in alkaline media, H2 oxidation on Pt anodes is much more sluggish than in acidic media, and thus, more active H2 oxidation catalysts are required to enable AEMFCs. Here we report on a family of H2 oxidation catalysts: Ru alloys with Co, Ni, or Fe. A series of RuCo/C, RuNi/C, and RuFe/C alloy nanoparticle catalysts have been synthesized via an impregnation method and characterized by atomic-scale scanning transmission electron microscopy. We find that Ru alloys with small amounts of Co, Ni, or Fe can significantly enhance H2 oxidation (HOR), H2 evolution (HER), O2 reduction (ORR), and oxygen evolution (OER) reactions in alkaline media. They are much more active than pure Ru catalysts for the HOR, HER, ORR, and OER, and even more active than pure Pt catalysts for the HOR and HER, but they cost much less. In particular, Ru0.95Co0.05/C is the most active among all studied Ru alloys catalysts for the HOR, HER, and ORR. Thus, they are promising catalysts for alkaline fuel cells and electrolyzers. The enhancement mechanism of Ru alloys has been elucidated by density functional theory calculations

From Lewis Acid to Lewis Base by La³⁺-to‑Y³⁺ Substitution in α‑YB₅O₉: Local Structure Modification Induced Lewis Basicity

Different from the common perspective of average structure, we propose that the locally elongated metal–oxygen bonds induced by La3+-to-Y3+ substitution to a Lewis acid α-YB5O9 generate medium-strength basic sites. Experimentally, NH3- and CO2-TPD experiments prove that the La3+ doping of α-Y1–xLaxB5O9 (0 ≤ x ≤ 0.24) results in the emergence of new medium-strength basic sites and the increasing La3+ concentration modifies the number, not the strength, of the acidic and basic sites. The catalytic IPA conversion exhibits a reversal of the product selectivity, i.e., from 93% of propylene for α-YB5O9 to ∼90% of acetone for α-Y0.76La0.24B5O9, which means the La3+ doping gradually turns the solid from a Lewis acid to a Lewis base. Besides, α-Y0.76RE0.24B5O9 (RE = Ce, Eu, Gd, Tm) compounds were prepared to consolidate the above conjecture, where the acetone selectivity exhibits a linear dependence on the ionic radius (or electronegativity). This work suggests that the substitution-induced local structure change deserves more attention

Metal–Organic-Framework-Derived Co–Fe Bimetallic Oxygen Reduction Electrocatalysts for Alkaline Fuel Cells

The oxygen reduction reaction (ORR) is considered the cornerstone for regenerative energy conversion devices involving fuel cells and electrolyzers. The development of non-precious-metal electrocatalysts is of paramount importance for their large-scale commercialization. Here, Co–Fe binary alloy embedded bimetallic organic frameworks (BMOF)­s based on carbon nanocomposites have been designed with a compositionally optimized template, by a facile host–guest strategy, for ORR in alkaline media. The electrocatalyst exhibits promising electrocatalytic activity for ORR with a half-wave potential of 0.89 V in 0.1 M NaOH, comparable to state-of-the-art Pt/C electrocatalysts. More importantly, it exhibits robust durability after 30 000 potential cycles. Scanning transmission electron microscopy (STEM) and quantitative energy-dispersive X-ray (EDX) spectroscopy suggest that the Co–Fe alloy nanoparticles have a homogeneous elemental distribution of Co and Fe at the atomic-scale optimized BMOF and Co/Fe ratio of 9:1. The long-term durability is attributed to its ability to maintain its structural and compositional integrity after the cycling process, as evidenced by STEM-EDX analysis. This work provides valuable insights into the design and fabrication of novel platinum-group-metals-free highly active ORR electrocatalysts in alkaline media

Modeling and Control of COVID-19 Transmission from a Perspective of Polymerization Reaction Dynamics

Due to the serious economic losses and deaths caused by COVID-19, the modeling and control of such a pandemic has become a hot research topic. This paper finds an analogy between a polymerization reaction and COVID-19 transmission dynamics, which will provide a novel perspective to optimal control measures. Susceptible individuals, exposed people, infected cases, recovered population, and the dead can be assumed to be specific molecules in the polymerization system. In this paper, a hypothetical polymerization reactor is constructed to describe the transmission of an epidemic, and its kinetic parameters are regressed by the least-squares method. The intensity of social distancing u is considered to the mixing degree of the reaction system, and contact tracing and isolation ρ can be regarded as an external circulation in the main reactor to reduce the concentration of active species. Through these analogies, this model can predict the peak infection, deaths, and end time of the epidemic under different control measures to support the decision-making process. Without any measures (u = 1.0 and ρ = 0), more than 90% of the population would be infected. It takes several years to complete herd immunity by nonpharmacological intervention when the proportion of deaths is limited to less than 5%. However, vaccination can reduce the time to tens to hundreds of days, which is related to the maximum number of vaccines per day

Pt-Decorated Composition-Tunable Pd–Fe@Pd/C Core–Shell Nanoparticles with Enhanced Electrocatalytic Activity toward the Oxygen Reduction Reaction

Design of electrocatalysts with both a high-Pt-utilization efficiency and enhanced electrochemical activity is still the key challenge in the development of proton exchange membrane fuel cells. In the present work, Pd–Fe/C bimetallic nanoparticles (NPs) with an optimal Fe composition and decorated with Pt are introduced as promising catalysts toward the oxygen reduction reaction. These bimetallic nanoparticles have a Pd–Fe@Pd core–shell structure with a surface Pt decoration as established through the use of electron energy loss spectroscopy (EELS) and energy-dispersive X-ray (EDX) spectroscopy. These catalysts exhibit excellent electrocatalytic activity (<i>E</i>_1/2 = 0.866 V vs RHE), increasing the mass activity by more than 70% over that of Pt/C in terms of the total mass of Pt and Pd and by 14 times if only Pt is considered. Simple geometrical calculations, based on spherical core–shell models, indicate that Pd–Fe@Pt has a surface Pt decoration rather than a complete Pt monolayer. Such calculations applied to other examples in the literature point out the need for careful and rigorous arguments about claimed “Pt monolayer/multilayers”. Such calculations must be based on not only elemental mapping data but also on the Pt/Pd and other metal atomic ratios in the precursors. Our analysis predicts a minimal Pt/Pd atomic ratio in order to achieve a complete Pt monolayer on the surface of the core materials

DataSheet_1_Prognosis and therapeutic benefits prediction based on NK cell marker genes through single-cell RNA-seq with integrated bulk RNA-seq analysis for hepatocellular carcinoma.xlsx

Tumor-infiltrating immune cells greatly participate in regulating tumorigenesis and metastasis of hepatocellular carcinoma (HCC). Natural killer cell, as an important role of innate immunity, plays an indispensable role in antitumor immunity and regulate tumor development. In this study, we firstly identified 251 NK cell marker genes of HCC based on single-cell RNA sequencing data. Subsequently, an NK cell marker genes-related prognostic signature (NKPS) was developed in the cancer genome atlas (TCGA) cohort for risk stratification and prognosis prediction. The predictive value of the NKPS in prognosis was well validated in different clinical subgroups and three external datasets (ICGC-LIHC cohort, GSE14520 cohort and Guilin cohort). Moreover, multivariate analysis revealed the independent prognostic value of NKPS for OS in HCC. Further functional analysis indicated the NKPS was associated with basic cellular processes, that may contribute to the development and progression of HCC. Thereafter, immune characteristics as well as the therapeutic benefits in NKPS risk score-defined subgroups were analyzed. Patients with low-risk score exhibited immune-active status, manifested as higher immune scores, more infiltration of CD8+ T cells and macrophage M1, and higher T-cell receptor (TCR) richness and diversity. Remarkably, the NKPS was negatively correlated with immunotherapy response-related signatures. In addition, the low-risk group exhibited significantly improved therapeutic benefits, either from immunotherapy or traditional chemotherapy and target therapy. Overall, the NKPS showed an excellent predictive value for prognosis and therapeutic responses for HCC, which might also provide novel insights into better HCC management strategies.</p