Predicting the device performance of the perovskite solar cells from the experimental parameters through machine learning of existing experimental results

The performance of the metal halide perovskite solar cells(PSCs)highly relies on the experimental parameters,including the fabrication processes and the compositions of the perovskites;tremendous experimental work has been done to optimize these factors.However,predicting the device performance of the PSCs from the fabrication parameters before experiments is still challenging.Herein,we bridge this gap by machine learning(ML)based on a dataset including 1072 devices from peer-reviewed publications.The optimized ML model accurately predicts the PCE from the experimental parameters with a root mean square error of 1.28%and a Pearson coefficientr of 0.768.Moreover,the factors governing the device performance are ranked by shapley additive explanations(SHAP),among which,A-site cation is crucial to getting highly efficient PSCs.Experiments and density functional theory calculations are employed to validate and help explain the predicting results by the ML model.Our work reveals the feasibility of ML in predicting the device performance from the experimental parameters before experiments,which enables the reverse experimental design toward highly efficient PSCs.

选择性激光烧结峰值温度的三维有限元模拟

选择性激光烧结(SLS)中工艺参数和扫描路径对烧结件性能有较大影响,文中研究了激光烧结工艺参数和扫描路径对峰值温度的影响规律。通过建立SLS的温度场模型并开发C++的有限元模拟软件,分析了激光功率、激光扫描速率及预热温度等工艺参数对SLS峰值温度的影响,对比了不同扫描路径下高分子粉末和金属粉末的SLS峰值温度变化规律。数值算例表明,SLS温度场中峰值温度随激光功率和预热温度的升高而升高,随激光扫描速率的升高而降低;扫描路径对高分子粉末SLS峰值温度的影响较小;开发的温度场模型准确合理,能够为实际生产提供理论依据。

CacyBP/SIP nuclear translocation induced by gastrin promotes gastric cancer cell proliferation

AIM: To investigate the role of nuclear translocation of calcyclin binding protein, also called Siah-1 interacting protein (CacyBP/SIP), in gastric carcinogenesis.

Role of tumor associated macrophages in relapse of primary gastrointestinal diffuse large B cell lymphoma and their clinical significance

Objective:To investigate the correlation between the change in expression of the tumor associated macrophage (TAM) markers CD68 and CD206 and the clinicopathological parameters.Methods: We retrospectively analyzed 28 PGI-DLBCL patients by immunohistochemical stainning. The surface expression of biomarkers CD68 and CD206 on TAMs in samples obtained at diagnosis was compared with that in specimens obtained at first relapse. Based on the change in expression levels of CD68 and CD206 from diagnosis to relapse, patients were categorized into three groups:'increased','stable' and'decreased'. Results: A significant difference was observed between the three groups with respect to CD68 and CD206 expressions (P=0.012) and there existed a consistency between the two (P=0.008). The three groups showed a negative correlation with age, sex, stage, B symptoms, diagnosis, ECOG performance status, and IPI scores, while a positive correlation was observed with the site of lesion of CD206 expression (P=0.032). The time to relapse (TTR) in the three groups of CD68 and CD206 was not significantly different (P=0.23,P=0.818).Conclusion: Our study suggests that increase in CD206 and decrease in CD68 expression at relapse indicates M1-TAM polarization into M2-TAM, which plays an important role in PGI-DLBCL relapse. Furthermore, M2-TAM polarization may be associated with the site of Primary gastric diffuse large B lymphoma.

The genomics of ornamental plants: current status and opportunities

With the rapid development of sequencing technologies,followed by the reduction of sequencing cost,numerous ornamental plants have been sequenced,resulting in their genomic studies shifting from gene cloning and marker development to whole genome profiling.A profound understanding of genome structure and function at the whole genome level can not only help to modify ornamental traits,such as fragrance,color and flower shape,through genetic engineering,but also infer the genetic relationship and evolutionary history of ornamental plants via comparative genomics analysis.In this paper,we review the current situation of sequencing strategies and the application of genomics to study the origin and evolution of ornamental plants.We highlight challenges of ornamental plant genomic research.The use of cutting-edge technologies,such as genomics,gene editing and molecular design polymerization breeding,can facilitate our understanding of genetic regulation mechanisms and the germplasm innovation of important traits in ornamental plants.The results can be expected to significantly increase the breeding efficiency of ornamental plants.

Mapping the genetic architecture of developmental modularity in ornamental plants

Developmental modularity,i.e.,coherent organization and function of developmentally related traits,is an emergent property of organismic development and evolution.However,knowledge about how modular variation and evolution are driven genetically is still limited.Here,using ornamental plants as an example,we propose a computational framework to map,visualize and annotate the genetic architecture of trait modularity by integrating modularity theory into system mapping,a statistical model for multifaceted genetic mapping of complex traits.A developmental module can be viewed as an ecosystem,in which the constituting components compete for space and resources or cooperate symbiotically to organize its function and behavior.This interactive process is quantified by mathematical models and evolutionarily interpreted by game theory.The proposed framework can test whether and how genes regulate the coordination of different but interconnected traits through their competition or cooperation to downstream developmental modularity.

Nanocarbon catalysts with co-active S−P−C sites enhance metal-free direct oxidation of alcohols

In this study,a sulfur–phosphorus co-doped nanocarbon(SPC)catalyst was syn-thesized using a straightforward one-step colloidal carbonization method and demonstrated high performance in the metal-free direct oxidation of alcohols to aldehydes.This metal-free SPC catalyst showed exceptional efficiency,achiev-ing a conversion rate of 90%for benzyl alcohol and a selectivity of 94%toward benzaldehyde within only 1 h at 130◦C.Moreover,it displays exceptional cycle stability and a high turnover frequency(17.1×10-3 mol g-1 h-1).Theoretical analysis suggested that the catalyst’s superior performance is attributed to the presence of unsaturated edge defects and S-P-moieties,which increase the density of states at the Fermi level,lower the band gap energy,and promote electron localization.Additionally,the doping introduces cooperative co-active S-P-C sites,facilitating a synergistic multisite catalytic effect that lowers the energy barriers.These findings represent a significant advancement in the field of metal-free direct alcohol oxidation.

Polycephalomycetaceae,a new family of clavicipitoid fungi segregates from Ophiocordycipitaceae

Clavicipitoid fungi comprise three families,namely Clavicipitaceae,Cordycipitaceae,and Ophiocordycipitaceae.They are found worldwide and are specialized pathogens of invertebrate,plant and fungal hosts.Over the last decade,morphology-and phylogeny-based studies on clavicipitoid fungi have increased.The latter have revealed that Polycephalomyces,Perennicordyceps and Pleurocordyceps consistently cluster together.These genera are currently considered as members of Ophiocordycipitaceae.Nonetheless,information with regard to their diversity and ecology remains sparse.To fill this gap,we collected 29 fresh specimens from insect and fungal substrates from tropical and subtropical evergreen forests in Thailand and southwestern China.We performed detailed morphological analyses and constructed photoplates for all isolated fungi.We used extensive taxon sampling and a dataset comprising internal transcribed spacer gene region(ITS),small subunit ribosomal RNA gene region(SSU),large subunit rRNA gene region(LSU),translation elongation factor 1-alpha gene region(TEF-1α),RNA polymerase II largest subunit gene region(RPB1)and RNA polymerase II second largest subunit(RPB2)to infer order-,family and genus-level phylogenetic trees.Based on these biphasic analyses,we segregate Polycephalomyces,Perennicordyceps,and Pleurocordyceps from Ophiocordycipitaceae and introduce the new family Polycephalomycetaceae to accomodate these three genera.The majority of species in this family have a vast range of insect and fungal hosts.The sexual morph of Polycephalomycetaceae has stromatic ascomata,long stipes,thick peridium,and cylindrical secondary spores.The asexual morph is characterized by colonies on the host surface or synnemata with stipes on the host,one or two types of phialides,and cylindrical to fusiform conidia.We expand the number of taxa in the new family by introducing seven new species(Polycephalomyces albiramus,Perennicordyceps lutea,Pleurocordyceps parvicapitata,Pleurocordyceps lanceolatus,Pleurocordyceps nutansis,Pleurocordyceps heilongtanensis,Pleurocordyceps vitellina),nine new hosts,and one new combination(Perennicordyceps elaphomyceticola).The results herein hint at a high level of diversity for Polycephalomycetaceae.Future investigations focusing on obtaining additional collections and specimens from different geographical areas would help to reveal not only the extent of the group’s diversity,but also resolve its deeper phylogenetic placement.

Recyclable nanocellulose-confined palladium nanoparticles with enhanced room-temperature catalytic activity and chemoselectivity

We describe the synthesis of even-dispersed palladium nanoparticles(Pd NPs)confined within a cellulose nanofiber(CNF)matrix for developing a high-performance and recyclable catalyst.The CNF matrix was composed of CNF-assembled mesoporous nanosheets and appeared as soft and hydrophilic foam.Ultrafine Pd NPs(∼6 nm)with high-loading(9.6 wt%)were in situ grown on these mesoporous nanosheets,and their dense spatial distributions were likely to generate nano-confinement catalytic effects on the reactants.Consequently,the CNF-confined Pd NPs(CNF-Pd)exhibited an enhanced room-temperature catalytic activity on the model reaction of 4-nitrophenol hydrogenation with a highest rate constant of 8.8×10^−3 s^−1 and turnover frequency of 2640 h The CNF Pd catalyst possessed good chemical stability and recyclability in aqueous media which could be reused for at least six cycles without losing activity.Moreover,chemoselective reduction of 3 nitrostyrene was achieved with high yield(80%–98%)of 3-aminostyrene in alcohol/water cosolvent.Overall,this work demonstrates a positive nanoconfinement effect of CNFs for developing stable and recyclable metal NP catalysts.