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.METHODS:The expression of CacyBP/SIP protein in gastric cancer cell lines was detected by Western blot.Immunofluorescence experiments were performed on gastric cancer cell lines that had been either unstimulated or stimulated with gastrin.To confirm the immunofluorescence findings,the relative abundance of CacyBP/SIP in nuclear and cytoplasmic compartments was assessed by Western blot.The effect of nuclear translocation of CacyBP/SIP on cell proliferation was examined using MTT assay.The colony formation assay was used to measure clonogenic cell survival.The effect of CacyBP/SIP nuclear translocation on cell cycle progression was investigated.Two CacyBP/SIPspecific siRNA vectors were designed and constructed to inhibit CacyBP/SIP expression in order to reduce the nuclear translocation of CacyBP/SIP,and the expression of CacyBP/SIP in stably transfected cells was determined by Western blot.The effect of inhibiting CacyBP/SIP nuclear translocation on cell proliferation was then assessed.RESULTS:CacyBP/SIP protein was present in most of gastric cancer cell lines.In unstimulated cells,CacyBP/SIP was distributed throughout the cytoplasm;while in stimulated cells,CacyBP/SIP was found mainly in the perinuclear region.CacyBP/SIP nuclear translocation generated a growth-stimulatory effect on cells.The number of colonies in the CacyBP/SIP nuclear translocation group was significantly higher than that in the control group.The percentage of stimulated cells in G1phase was significantly lower than that of control cells(69.70%±0.46%and 65.80%±0.60%,control cells and gastrin-treated SGC7901 cells,P=0.008;72.99%±0.46%and 69.36%±0.51%,control cells and gastrin-treated MKN45 cells,P=0.022).CacyBP/SIPsi1effectively down-regulated the expression of CacyBP/SIP,and cells stably transfected by CacyBP/SIPsi1 were then chosen for further cellular assays.In CacyBP/SIPsi1 stably transfected cells,CacyBP/SIP was shown to be distributed throughout the cytoplasm,irregardless of whether they were stimulated or not.After CacyBP/SIP nuclear translocation was reduced,there had no major effect on cell proliferation,as shown by MTT assay.There had no enhanced anchoragedependent growth upon stimulation,as indicated by colony formation in flat plates.No changes appeared in the percentage of cells in G0-G1 phase in either cell line(71.09%±0.16%and 70.86%±0.25%,control cells and gastrin-treated SGC7901-CacyBP/SIPsi1 cells,P=0.101;74.17%±1.04%and 73.07%±1.00%,control cells and gastrin-treated MKN45-CacyBP/SIPsi1cells,P=0.225).CONCLUSION:CacyBP/SIP nuclear translocation promotes the proliferation and cell cycle progression of gastric cancer cells.

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.

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.

纳米纤维素限域钯纳米颗粒的室温催化活性及化学选择性

本文利用水合低共熔溶剂结合超声法制备了羧基化纤维素纳米纤丝(CNF),并利用其表面的羧基官能团为反应活性位点原位合成了具有均匀分散性和高负载量(9.6 wt%)的CNF-Pd复合催化剂.研究结果表明:CNF-Pd具有显著的限域特性,包括在CNF表面羧基官能团上原位固定生长Pd纳米颗粒的化学限域和CNF冷冻干燥过程中自组装形成的空间结构限域.CNF-Pd在4-硝基苯酚加氢模型反应中表现出优异的室温催化活性,其最高速率常数为8.8×10^-3s^-1,最高催化活性的转化频率为2640 h^-1.CNF-Pd催化剂在水性介质中显示出良好的化学稳定性和可回收性,至少重复使用6个循环不会失活.此外,CNF-Pd催化剂还可实现3-硝基苯乙烯在醇/水共溶剂中向3-氨基苯乙烯的化学选择性加氢,且具有80%–98%的高选择性产率.综合上述结果,CNF在构建具有高室温催化活性及可回收利用的金属纳米颗粒催化剂方面具有广泛应用潜力和发展空间.