bluuebunny/crossref_metadata_2025_split huggingface dataset:
Suppressing Interfacial Recombination with a Strong‐Interaction Surface Modulator for Efficient Inverted Perovskite Solar Cells
Authors: Li Bowei , Deng Jun , Smith Joel A. , Caprioglio Pietro , Ji Kangyu , Luo Deying , McGettrick James D. , Jayawardena K. D. G. Imalka , Kilbride Rachel C. , Ren Aobo , Hinder Steven , Bi Jinxin , Webb Thomas , Marko Igor , Liu Xueping , Xiang Yuren , Reding Josh , Li Hui , Du Shixuan , Lidzey David G. , Stranks Samuel D. , Watson Trystan , Sweeney Stephen , Snaith Henry J. , Silva S. Ravi P. , Zhang Wei 
Published: October 2022

AbstractSuccessful manipulation of halide perovskite surfaces is typically achieved via the interactions between modulators and perovskites. Herein, it is demonstrated that a strong‐interaction surface modulator is beneficial to reduce interfacial recombination losses in inverted (p‐i‐n) perovskite solar cells (IPSCs). Two organic ammonium salts are investigated, consisting of 4‐hydroxyphenethylammonium iodide and 2‐thiopheneethylammonium iodide (2‐TEAI). Without thermal annealing, these two modulators can recover the photoluminescence quantum yield of the neat perovskite film in contact with fullerene electron transport layer (ETL). Compared to the hydroxyl‐functionalized phenethylammonium moiety, the thienylammonium facilitates the formation of a quasi‐2D structure onto the perovskite. Density functional theory and quasi‐Fermi level splitting calculations reveal that the 2‐TEAI has a stronger interaction with the perovskite surface, contributing to more suppressed non‐radiative recombination at the perovskite/ETL interface and improved open‐circuit voltage (VOC) of the fabricated IPSCs. As a result, the VOC increases from 1.11 to 1.20 V (based on a perovskite bandgap of 1.63 eV), yielding a power conversion efficiency (PCE) from ≈20% to 21.9% (stabilized PCE of 21.3%, the highest reported PCEs for IPSCs employing poly[N,N′′‐bis(4‐butylphenyl)‐N,N′′‐bis(phenyl)benzidine] as the hole transport layer, alongside the enhanced operational and shelf‐life stability for unencapsulated devices.
Efficient and Thermally Stable All‐Perovskite Tandem Solar Cells Using All‐FA Narrow‐Bandgap Perovskite and Metal‐oxide‐based Tunnel Junction
Authors: Wu Pu , Wen Jin , Wang Yurui , Liu Zhou , Lin Renxing , Li Hongjiang , Luo Haowen , Tan Hairen 
Published: October 2022

AbstractCommercialization of all‐perovskite tandem solar cells requires thermally stable narrow‐bandgap (NBG) perovskites and tunnel junction. However, the high content of methylammonium (MA) and organic hole transport layer used in NBG perovskite subcell undermine the thermal stability of all‐perovskite tandems. Here, thermally stable mixed lead‐tin NBG perovskite solar cells (PSCs) are developed by using only formamidinium (FA) for the A‐site cation. Solution‐processed indium tin oxide nanocrystals (ITO NCs) are deployed further to replace the conventional organic charge transport layer. Meanwhile, the ITO NCs layer simultaneously functions as a recombination layer in the tunnel junction, which simplifies the architecture of all‐perovskite tandem devices. The thermally stable all‐FA Pb‐Sn PSCs achieve a high power conversion efficiency (PCE) of 21.0%. With the thermally stable all‐FA NBG perovskite and optimized tunnel junction, a stabilized PCE of 26.3% is further obtained in all‐perovskite tandems. The unencapsulated tandem devices maintain >90% of their initial efficiencies after 212 h aging at 85 °C in the N2 atmosphere. The strategies herein offer a crucial step toward efficient and thermally stable all‐perovskite tandem solar cells.
Ape femoral‐humeral rigidities and arboreal locomotion
Authors: Sarringhaus Lauren , Lewton Kristi L. , Iqbal Safiyyah , Carlson Kristian J. 
Published: October 2022

AbstractObjectivesThis study investigates patterns of bone functional adaptations in extant apes through comparing hindlimb to forelimb bone rigidity ratios in groups with varying levels of arboreality.Materials and MethodsUsing CT scans, bone rigidity (J) was calculated at three regions of interest (ROI) along femoral and humeral diaphyses in Homo, Pongo, Pan, and Gorilla with further comparisons made between species and subspecies divisions within Pan and Gorilla.ResultsConsistent with previous work on extant hominoids, species exhibited differences in midshaft femoral to humeral (F/H) rigidity ratios. Results of the present study confirm that these midshaft differences extend to 35% and 65% diaphyseal ROIs. Modern humans, exhibiting larger ratios, and orangutans, exhibiting smaller ratios, bracketed the intermediate African apes in comparisons. Within some African apes, limb rigidity ratios varied significantly between taxonomic groups. Eastern gorillas exhibited the highest mean ratios and chimpanzees the lowest at all three ROIs. In posthoc comparisons, chimpanzees and bonobos did not differ in relative limb rigidity ratios at any of the three ROIs. However, western gorillas were more similar to bonobos than eastern gorillas at 50% and 35% ROIs, but not at the 65% ROI.ConclusionSpecies, and to a lesser extent subspecies, can be distinguished by F/H limb rigidity ratios according to broad positional behavior patterns at multiple regions of interest along the diaphyses. Similarity of bonobos and western gorillas is in line with behavioral data of bonobos being the most terrestrial of Pan species, and western gorillas the most arboreal of the Gorilla groups.
High‐strength, ultrastretchable hydrophobic association hydrogel reinforced by tailored modified carboxymethyl cellulose
Authors: Pan Min , Wang Pengtao , Xu Zhe , Kuai Yu 
Published: October 2022

AbstractA new pathway to construct high‐strength, ultrastretchable hydrogels based on tailored modified carboxymethyl cellulose (TMCMC)and hydrophobic association(HPA) system was investigated. TMCMC was prepared from degradation of carboxymethyl cellulose (CMC)/N,N′‐methylene bisacrylamide (MBA) chemical cross‐linked hydrogels. The residual double bonds of TMCMC, confirmed by 1H‐NMR and FTIR analysis, reacted with acrylamide in HPA to form TMCMC/HPA hydrogels, and the homogeneous and fine spatial network structure of TMCMC/HPA hydrogel could be observed by scanning electron microscopy. Rheological analysis revealed that the coexistence of physical and chemical crosslinking in TMCMC/HPA hydrogels. Further studies showed that TMCMC/HPA hydrogel with MBA content of 0.5 wt% has outstanding mechanical properties, and its fracture stress, elongation and tensile strength reach 1.17 MPa, 3717.05% and 15.68 MJ·m−3, respectively. Moreover, the hydrogel displayed good swelling resistance and stable strain electrical signal response.
Heteroatom‐Doped Asymmetric Metal‐Nx‐C Single Atom Catalysts for Electrochemical CO2 Reduction Reaction
Authors: Kong Linghui , Wang Min , Jiang Luhua 
Published: October 2022

AbstractCO2 utilization is one of the hottest research topics worldwide. As a class of newly emerging and promising catalysts for electrochemical CO2 reduction (ECR) reaction, heteroatom‐doped metal‐Nx‐C single atom catalysts (M‐Nx‐C SACs) attract extensive attentions. Nowadays, great progress, including structure modulation, identification of local coordination environment and ECR mechanism via advanced synthetic strategies, characterization techniques and theoretical calculations, have been achieved over heteroatom doped asymmetric M‐Nx‐C SACs, which boost the ECR performances and deepen the understanding of ECR mechanism. In this context, we summarize recent progresses in heteroatom‐doped asymmetric M‐Nx‐C SACs, with emphasis on synthetic strategies and their applications in ECR reaction, along with current understanding on the ECR mechanisms both experimentally and theoretically. Finally, the challenges and perspectives for the heteroatom‐doped asymmetric M‐Nx‐C SACs towards ECR are proposed.
Recent Progress in Surface and Interface Engineering for Electrocatalytic CO2 Reduction
Authors: Hu Xiaokang , Hu Jiuyi , Zheng Shaohui , Fan Yun , Li Hongfeng , Zhang Suoying , Liu Wenjing , Zha Baoli , Huo Fengwei , Saleem Faisal 
Published: October 2022

AbstractThe conversion of CO2 through CO2 reduction reaction (CO2RR) into valuable products has potential to lessen the greenhouse effect caused by uncontrolled CO2 emissions. Challenges of CO2RR reaction lie in the stabilization of the reaction intermediate and the activation of the inert chemical bond of CO2, but the application of CO2RR at large scale is limited by the high cost and structural instability of traditional catalysts. By applying CO2RR catalyst with delicate structure of stable CO2 intermediate to industrial production, the problems such as high cost of CO2 conversion, low catalytic selectivity and poor catalytic efficiency can be effectively solved, showing better application value and significance than traditional catalysts. This review focuses on the defects, and metal‐support interaction (MSI) effect to modify the catalyst and other strategies to enhance the effectiveness of CO2 reduction. The challenges and prospects from the three perspectives are also discussed to provide suggestions for the designing of efficient CO2RR catalysts in the future. This review offers new insights and research perspectives of reducing CO2 emission through recycling CO2, and neutralizing the carbon cycle.
Effect on the conformations of the spike protein of SARS‐CoV‐2 due to mutation
Authors: Gupta Aayatti Mallick , Chakrabarti Jaydeb 
Published: October 2022

AbstractThe spike protein of SARS‐CoV‐2 mediates receptor binding and cell entry and is the key immunogenic target for virus neutralization and the present attention of many vaccine layouts. It exhibits significant conformational flexibility. We study the structural fluctuations of spike protein among the most common mutations that appeared in the variant of concerns (VOC). We report the thermodynamics of conformational changes in mutant spike protein with respect to the wild‐type from the distributions of the dihedral angles obtained from the equilibrium configurations generated via all‐atom molecular dynamics simulations. We find that the mutation causes the increase in distance between the N‐terminal domain and receptor binding domain, leading to an obtuse angle cosine θ distribution in the trimeric structure in spike protein. Thus, an increase in open state is conferred to the more infectious variants of SARS‐CoV‐2. The thermodynamically destabilized and disordered residues of receptor binding motif among the mutant variants of spike protein are proposed to serve as better binding sites for the host factor. We identify a short stretch of region connecting the N‐terminal domain and receptor binding domain forming a linker loop where many residues undergo stabilization in the open state compared to the closed one.
Carbon emissions trading and corporate green investment: The perspective of external pressure and internal incentive
Authors: Chen Jinyu , Geng Yuan , Liu Ran 
Published: October 2022

AbstractThe carbon emissions trading scheme (CETS) is an important institutional innovation that internalizes external costs caused by corporate carbon emissions and promotes firms to engage in green development. Based on a 2009–2019 sample of Chinese enterprises of heavily polluting industries listed on the Shanghai Stock Exchange (SSE) and Shenzhen Stock Exchange (SZSE), this paper employs the difference‐in‐differences model to examine the effect of CETS on corporate green investment and discuss the moderating effects of external pressure and internal incentive. We find that the implementation of CETS significantly promotes corporate green investment, and this finding still holds after a series of robustness tests such as Propensity Score Matching‐Difference in Differences (PSM‐DID) method and alternative measure of green investment. The heterogeneity analysis indicates that the positive effect of CETS is stronger in large‐scale enterprises, state‐owned firms, and companies located in regions with strict environmental regulation. In addition, less local government intervention and more internal executive compensation incentive significantly enhance the positive impact of CETS on corporate green investment.
Mechano‐regulation of Wnt/β‐Catenin signaling to control paraxial versus lateral mesoderm lineage bifurcation
Authors: Strittmatter Tobias , Haellman Viktor , Argast Paul , Buchman Peter , Teixeira Ana Palma , Fussenegger Martin 
Published: October 2022

AbstractMechanical cues are involved in many biological processes, including embryonic development and patterning. For example, external mechanical forces (shear stress), lateral cell–cell interactions, and mechanical properties (stiffness and composition) of the extracellular matrix are thought to modulate Wnt signaling, which is a highly conserved pathway involved in regulating stem cell renewal, proliferation, and differentiation. In this work, we employed a customized higher‐throughput shear stress induction device for the controlled application of mechanical stress to study the effects of shear stress on the differentiation of human induced pluripotent stem cells (hiPSCs) toward the three germ layers. We found that mechanical stress alters lineage commitment during ectoderm and mesoderm differentiation. We show that this effect correlates with reduced Wnt signaling, evaluated in terms of the promoter activity of an established TCF3‐responsive promoter. Whole transcriptome sequencing and pathway enrichment analysis of the differentially expressed genes between hiPSC‐derived mesoderm cells differentiated in the presence or absence of piston‐induced shear stress confirmed that Wnt/β‐catenin signaling is among the most affected developmental pathways. Furthermore, our results suggest that suitably programmed shear stress application could be used to selectively promote differentiation of hiPSCs to either lateral or paraxial mesoderm in commercially available media.
Synthesis and Theoretical Studies of Biologically Active Thieno Nucleus Incorporated Tri and Tetracyclic Nitrogen Containing Heterocyclics Scaffolds via Suzuki Cross‐Coupling Reaction
Authors: Sain Shalu , Jaiswal Shivangi , Jain Sonika , Misra Namita , Srivastava Anamika , Jendra Ra , Kishore Dharma , Dwivedi Jaya , Wabaidur Saikh Mohammad , Islam Mohammad Ataul , Sharma Swapnil 
Published: October 2022

AbstractA new series of thieno nucleus embellished trinuclear (19, 20) and tetranuclear (21–24) nitrogen heteroaryl have been synthesized by the Suzuki cross‐coupling reaction using bis(triphenylphosphine)palladium(II) dichloride. All the synthesized compounds were characterized by IR, 1H‐NMR, 13CNMR and Mass spectral properties. In vitro antibacterial studies of the synthesized compound were conducted using broth microdilution assay employing Gram‐positive and Gram‐negative strains and half‐maximal inhibitory concentration (IC50) was determined. The result showed that compound 20 possess best antibacterial activity against S. aureus and E. coli with IC50 values of 60 μg mL−1 and 90 μg mL−1. Further to determine the mode of antibacterial action, compounds 20 and 21 were examined for in vitro bacterial dehydrogenase inhibitory assay. To understand the binding affinity of the synthesized compounds, the docking study was performed in the bacterial dehydrogenase enzyme by AutoDock Vina software and structure was confirmed by Discovery Studio Visualizer. All the synthesized compounds were docked in a good manner within the active sites of the bacterial dehydrogenase enzyme and exhibited good binding energies.
PdNi Nanoframework and Nanochain Catalysts with Enhanced Oxygen Reduction Reaction Performance
Authors: Yang Yi , Soroka Inna L. 
Published: October 2022

AbstractThe development of Pt‐free nanocatalysts with enhanced electrocatalytic activity and durability is essential for the commercialization of fuel cells. Herein, we report a new class of active and durable PdNi nanocatalysts for the oxygen reduction reaction (ORR) in an alkaline medium. PdNi nanoframework (PdNi‐NF), consisting of interconnected ultrathin ridges was synthesized through a galvanic replacement reduction (GRR) strategy using Ni nanoparticles, obtained by radiolytic reduction, as seeds. PdNi nanochain (PdNi‐NC), composed of aggregated nanoparticles, was produced by one‐pot γ‐radiation induced reduction. It was found that the carbon‐supported PdNi‐NF catalysts exhibit higher ORR activity and enhanced durability compared to PdNi‐NC/C (PdNi‐NC on carbon), Pd‐NP/C (Pd nanoparticle on carbon), and commercial Pt/C catalysts. The superior activity of PdNi‐NF/C catalyst may originate from the nanoframework morphology that facilitates the O2 diffusion and the electronic effect induced by the sub‐surface PdNi alloy; the improved durability can be ascribed to the stable Pd‐enriched surface layer.
On the Origin of the Rate Enhancement by a R‐(+)‐1‐(1‐Naphthyl)‐Ethylamine‐Modified Pd(111) Model Catalyst for Methyl Pyruvate Hydrogenation
Authors: Bavisotto Robert , Roy Sree Pradipta , Tysoe Wilfred T. 
Published: October 2022

AbstractChiral modifiers of heterogeneous catalysts can function as activity promotors to minimize the influence of unmodified sites on the enantiomeric excess to obtain highly enantioselective catalysts. However, the origin on this effect is not well understood. It is investigated using a model catalyst of R‐(+)‐1‐(1‐naphthyl)‐ethylamine (R‐1‐NEA)/Pd(111) for the hydrogenation of methyl pyruvate (MP) to methyl lactate (ML). The activity of the model catalyst remains constant for multiple turnovers. No rate enhancement is found for R‐1‐NEA coverages below ∼0.5 monolayer (ML), but a significant increase is found at R‐1‐NEA coverages of ∼0.75 ML, with a rate approximately twice that of the unmodified catalyst. This is investigated using infrared spectroscopy to distinguish between MP monomers and dimers. MP titration experiments with hydrogen show a half‐order hydrogen pressure dependence, with the monomer reacting at twice the rate as the dimer. It is found that the dimer is the most abundant species on clean Pd(111), but the ratio of monomers to dimers increases as the R‐1‐NEA coverage increases due to surface crowding. The monomeric species is also found to be more stable on the crowded surface than on clean Pd(111); the chiral modifier also serves to stabilize the reactant. Finally, this model nicely explains the unusual 1‐NEA‐covergae dependence of the reactivity.
Synthesis and Catalysis of Anionic Amido Iron(II) Complexes
Authors: Chakraborty Uttam , Fedulin Andrey , Jacobi von Wangelin Axel 
Published: October 2022

AbstractLow‐coordinate, open‐shell 3d metal complexes have attracted great attention due to their critical role in several catalytic transformations but have been notoriously difficult to prepare and study due to their high lability. Here, we report the synthesis of a heteroleptic tri‐coordinate amidoferrate that displays high catalytic activity in the regioselective hydrosilylation of alkenes.
Emotional anticipation of the school‐to‐work transition: A multigroup latent profile analysis
Authors: Parmentier Michaël , Pirsoul Thomas , Bouchat Pierre , Nils Frédéric 
Published: October 2022

AbstractThis study extends the investigation of future‐oriented emotions by investigating students’ emotional anticipation profiles at the prospect of the school‐to‐work transition. Among 2882 students, latent profile analysis revealed the emergence of four qualitative and quantitative distinct profiles. We also examined the profile similarity across gender, educational type, and the remaining time before the transition. Men and women exhibited both qualitative (i.e., profile shape and prevalence) and quantitative (i.e., levels of profile indicators) differences. However, we found no quantitative differences with regard to the educational type and the remaining time before the transition. To the best of our knowledge, this research is the first to document the complex interaction between anticipatory and anticipated emotions and the suitability of a person‐centered approach for investigating emotional experience, especially among men and women. It provides essential practical information for developing a preventive strategy regarding the emotional anticipation of the school‐to‐work transition.
Synthesis of a Highly Crystalline Amide‐Linked Covalent Organic Framework
Authors: Li Yuyao , Zhou Zhipeng , Hong Yuexian , Dong Xin , Yang Yonghang , Liang Zihao , Sun Junliang , Chen Xudong , Liu Wei , Zheng Zhikun 
Published: October 2022

Comprehensive SummaryThe dilemma for the synthesis of covalent organic frameworks (COFs) is crystallinity and stability. Herein, we present the synthesis of a single‐crystalline amide‐linked COF, and demonstrate its excellent chemical as well as thermal stabilities. This study will inspire the synthesis of a wide spectrum of highly crystalline and stable COFs, promote their structure‐property investigations and boost their applications in selective gas adsorption, storage and separation.
Cell‐surface contacts determine volume and mechanical properties of human embryonic kidney 293 T cells
Authors: Dabbiru Venkata A. S. , Manu Emmanuel , Biedenweg Doreen , Nestler Peter , Pires Ricardo H. , Otto Oliver 
Published: October 2022

AbstractAlterations in the organization of the cytoskeleton precede the escape of adherent cells from the framework of cell–cell and cell‐matrix interactions into suspension. With cytoskeletal dynamics being linked to cell mechanical properties, many studies elucidated this relationship under either native adherent or suspended conditions. In contrast, tethered cells that mimic the transition between both states have not been the focus of recent research. Using human embryonic kidney 293 T cells we investigated all three conditions in the light of alterations in cellular shape, volume, as well as mechanical properties and relate these findings to the level, structure, and intracellular localization of filamentous actin (F‐actin). For cells adhered to a substrate, our data shows that seeding density affects cell size but does not alter their elastic properties. Removing surface contacts leads to cell stiffening that is accompanied by changes in cell shape, and a reduction in cellular volume but no alterations in F‐actin density. Instead, we observe changes in the organization of F‐actin indicated by the appearance of blebs in the semi‐adherent state. In summary, our work reveals an interplay between molecular and mechanical alterations when cells detach from a surface that is mainly dominated by cell morphology.