bluuebunny/crossref_metadata_2025_split huggingface dataset:
Self‐Blockade of PD‐L1 with Bacteria‐Derived Outer‐Membrane Vesicle for Enhanced Cancer Immunotherapy
Authors: Pan Jingmei , Li Xilin , Shao Binfen , Xu Funeng , Huang Xuehui , Guo Xing , Zhou Shaobing 
Published: December 2021

AbstractThe checkpoint inhibitor therapy that blocks programmed death‐1 (PD‐1) and its major ligand PD‐L1 has achieved encouraging clinical efficacy in certain cancers. However, the binding of checkpoint inhibitors with other immune cells that express PD‐L1 often results in a low response rate to the blockade and severe adverse effects. Herein, an LyP1 polypeptide‐modified outer‐membrane vesicle (LOMV) loaded with a PD‐1 plasmid is developed to achieve self‐blockade of PD‐L1 in tumor cells. The nanocarriers accumulate in the tumor tissue through OMV‐targeting ability and are internalized into the tumor cells via the LyP1‐mediated target, subsequently delivering PD‐1 plasmid into the nucleus, leading to the expression of PD‐1 by the tumor cells. In addition, a magnetic particle chemiluminescence kit is developed to quantitatively detect the binding rate of PD‐1/PD‐L1. The self‐expressed PD‐1 bonded with the PD‐L1 is expressed by both autologous and neighboring tumor cells, achieving self‐blockade. Simultaneously, the outer‐membrane protein of LOMV recruits cytotoxic lymphocyte cells and natural killer cells to tumor tissues and stimulates them to secrete IFN‐γ  , improving the antitumor activity of the PD‐1/PD‐L1 self‐blocking therapy.
Tailoring Layer Number of 2D Porphyrin‐Based MOFs Towards Photocoupled Electroreduction of CO2
Authors: Yang Deren , Zuo Shouwei , Yang Haozhou , Zhou Yue , Lu Qichen , Wang Xun 
Published: December 2021

AbstractInspired by the success of graphene, a series of single‐ or few‐layer 2D materials have been developed and applied in the past decade. Here, the successful preparation of monolayer and bilayer 2D porphyrin‐based metal–organic frameworks (MOFs) by a facile solvothermal method is reported. The structure transition from monolayer to bilayer drives distinct electronic properties and restructuring behaviors, which finally results in distinct catalytic pathways towards CO2 electrocatalysis. The monolayer favors CO2‐to‐C2 pathway due to the restructuring of CuO4 sites, while CO and HCOO− are the major products over the bilayer. In photocoupled electrocatalysis, the Faradaic efficiency (FE) of the C2 compounds shows a nearly fourfold increase on the monolayer than that under dark conditions (FEC2 increases from 11.9% to 41.1% at −1.4 V). For comparison, the light field plays a negligible effect on the bilayer. The light‐induced selectivity optimization is investigated by experimental characterization and density functional theory (DFT) calculations. This work opens up a novel possibility to tune the selectivity of carbon products just by tailoring the layer number of the 2D material.
Oxygen Diffusion in Platinum Electrodes: A Molecular Dynamics Study of the Role of Extended Defects
Authors: Zurhelle Alexander F. , Stehling Wilhelm , Waser Rainer , De Souza Roger A. , Menzel Stephan 
Published: December 2021

AbstractPlatinum serves as a model electrode in solid‐state electrochemistry and as the inert electrode in redox‐based resistive random‐access memory (ReRAM) technology. Experimental work has proposed that oxygen may diffuse faster along platinum's extended defects, but quantitative, unambiguous transport data do not exist. In this study, the diffusion of oxygen atoms in crystalline platinum and along its extended defects is studied as a function of temperature by means of molecular dynamics (MD) simulations with the ReaxFF interatomic potentials. The MD simulations indicate that platinum vacancies trap oxygen atoms, inhibiting their diffusion through the platinum lattice and leading to a high activation enthalpy of diffusion of around 3 eV. This picture of trapping is supported by static density‐functional‐theory calculations. MD simulations of selected dislocations and selected grain boundaries indicate that oxygen diffusion is much faster along these extended defects than through the Pt lattice at temperatures below 1400 K, exhibiting a much lower activation enthalpy of ≈0.7 eV for all extended defects examined. Producing specific electrode microstructures with controlled densities and types of extended defects thus offers a new avenue to improve the performance of ReRAM devices and to prevent device failure.
A Self‐Assembly Method for Tunable and Scalable Nano‐Stamps: A Versatile Approach for Imprinting Nanostructures
Authors: Donie Yidenekachew J. , Yuan Yingxuan , Allegro Isabel , Schackmar Fabian , Hossain Ihteaz M. , Huber Robert , Roger Julie , Paetzold Ulrich W. , Gomard Guillaume , Lemmer Uli 
Published: December 2021

AbstractIn nanoimprint lithography (NIL), the imprinting stamp's fabrication is still a significant cost factor among the consumables. Bottom‐up lithography approaches based on a phase‐separation of polymer blends can provide a cost‐effective route for fabricating these stamps. Today's polymers used to prepare phase‐separated nanostructures (PSN), however, exhibit low glass transition temperatures. As a result, the PSN are prone to in‐plane stamp distortions in the presence of high imprinting pressure and temperature, limiting their practical relevance for NIL. Here, the realization of mechanically and thermally stable PSN‐based imprinting stamps for NIL systems via a phase‐separation of a homopolymer/inorganic–organic hybrid polymer blend is reported. It is demonstrated that these imprinting stamps are easily tunable and scalable by adjusting the formulation of homopolymer/hybrid polymer mixture and deposition conditions. Feature sizes in PSN ranging from a few μm down to 100 nm are achieved through an interplay of these factors. As demonstrations of the envisioned applications, the developed imprinting stamps are integrated into a roll‐to‐roll NIL system for patterning a polystyrene thin‐film. Moreover, light management is demonstrated by nanopatterning of a perovskite semiconductor in plate‐to‐plate process. The nanopatterned perovskite film achieves an integrated absorption and a photoluminescence emission peak increase of 7%rel and 121%rel, respectively.
Strong Rashba Effect and Different f−d Hybridization Phenomena at the Surface of the Heavy‐Fermion Superconductor CeIrIn5
Authors: Mende Max , Ali Khadiza , Poelchen Georg , Schulz Susanne , Mandic Vladislav , Tarasov Artem V. , Polley Craig , Generalov Alexander , Fedorov Alexander V. , Güttler Monika , Laubschat Clemens , Kliemt Kristin , Koroteev Yury M. , Chulkov Evgueni V. , Kummer Kurt , Krellner Cornelius , Usachov Dmitry Yu. , Vyalikh Denis V. 
Published: December 2021

AbstractNew temperature scales and remarkable differences from bulk properties have increasingly placed the surfaces of strongly correlated f materials into the focus of research activities. Applying first‐principles calculations and angle‐resolved photoelectron spectroscopy measurements, a strong Rashba effect and spin‐split surface states at the CeIn surface of the heavy‐fermion superconductor CeIrIn5 are revealed. The unveiled 4f‐derived electron landscape is remarkably distinct for surface and bulk Ce implying the existence of novel temperature scales near the surface region in this material. These results show that ab initio calculations can reliably predict the unusual electronic and spin structure of surfaces of strongly correlated 4f systems where Rashba spin‐orbit‐coupling phenomena emerge. It is suggested that the structural blocks of such materials can be combined with magnetically active layers for engineering of novel nanostructural objects with appropriate substrates where the diversity of f‐driven properties can be applied for the development of novel functionalities.
A Key 2D Intermediate Phase for Stable High‐Efficiency CsPbI2Br Perovskite Solar Cells
Authors: Yang Shaomin , Wen Jialun , Liu Zhike , Che Yuhang , Xu Jie , Wang Jungang , Xu Dongfang , Yuan Ningyi , Ding Jianning , Duan Yuwei , Liu Shengzhong (Frank) 
Published: December 2021

AbstractInorganic CsPbI2Br perovskite is promising for solar cell applications due to its excellent thermal stability and optoelectronic characteristics. Unfortunately, the current high‐efficiency CsPbI2Br perovskite solar cells (PSCs) are mostly fabricated in an inert atmosphere due to their instability to moisture. Herein, a low‐dimensional intermediate‐assisted growth (LDIAG) method is reported for the deposition of CsPbI2Br film in ambient atmosphere by introducing imidazole halide (IMX: IMI and IMBr) into the precursor solution to control both nucleation and growth kinetics. The IMX first combines with PbI2 in the precursor film to form a 2D intermediate which then gradually releases PbI2 to slowly form high‐quality CsPbI2Br film during annealing. It is found that the LDIAG method produces a uniform, highly crystalline, pinhole‐free, and stable CsPbI2Br film with low defect density. Consequently, the solar cell efficiency is increased to as high as 17.26%, one of the highest for this type of device. Furthermore, the bare device without any encapsulation shows excellent long‐term stability with ≈86% of its initial efficiency retained after being exposed to the ambient environment for 1000 h. This work provides a perspective to tune the intermediate phases and crystallization pathway for high‐performance inorganic PSCs formed under ambient conditions.
Improved ALMANAC simulations of upland switchgrass ecotypes in the northern United States
Authors: Proulx Rob A , Hill Michael J , Laguette Soizik 
Published: December 2021

AbstractThis investigation used a modified parameterization of the Agricultural Land Management Alternative with Numerical Assessment Criteria (ALMANAC) model to improve simulated growth and biomass yield of upland switchgrass (Panicum virgatum L.) ecotypes in northern U.S. locations. Leaf area development, biomass accumulation, and N utilization of upland ecotypes were parameterized by field evaluations from Montreal, QC, Canada, and sites throughout the northern U.S. Great Plains. Resulting ALMANAC simulations were validated against measured yields from 66 location–years of switchgrass production across 13 sites in Minnesota, North Dakota, and South Dakota. As contrasted to the model defaults, the modified parameterization reduced RMSE of annual simulated yields from 3.77 to 2.62 Mg ha−1 and improved percentage bias from −16 to 13%. Model performance was most improved in environments with no N fertilization, where ALMANAC simulated annual yields with an RMSE of 1.73 Mg ha−1 and percentage bias of −0.5%. Relative to the default ALMANAC parameterization, the modified parameterization also simulated a longer growing season and extended the median simulated maturity date from 1 to 28 August, greatly improving the estimation of switchgrass phenology within the study region. Sensitivity analyses revealed that simulated switchgrass yield was unaffected by modifications of runoff curve number and was most affected by modifications of radiation use efficiency. The other seven parameter modifications each had a median yield impact of 0.57–1.4 Mg ha−1. This work provides an improved characterization of upland switchgrass ecotypes in northern U.S. locations for future ALMANAC users.
Effect of biomass co‐firing position on combustion and NOX emission in a 300‐MWe coal‐fired tangential boiler
Authors: Tu Yaojie , Li Jianlan , Chang Dongfeng , Hu Bo 
Published: December 2021

AbstractCo‐firing biomass in an existing coal combustion boiler is a promising way to mitigate carbon emission in the context of global carbon neutrality. This paper investigated the effect of biomass injection location on combustion and NOX formation characteristics in a 300‐MWe tangential boiler co‐firing with coal. Numerical models have been validated against experimental measurement for both pure coal firing and biomass/coal co‐firing cases. Compared to pure coal firing, co‐firing case with biomass injected into the highest layer can sustain a comparable temperature distribution profile along the furnace height, and generate a lower NO emission by around 20 ppm. By moving the biomass injection location downward, the temperature difference between co‐firing and pure coal firing cases becomes larger, and the final NO emission increases continually from 222 to 240 ppm. When biomass is injected through the lowest layer, N element in biomass volatile is oxidized to NO directly because of the abundant oxygen; thus, NO emission turns to be the highest among all co‐firing cases. Contrarily, when biomass is injected through the highest layer, the majority of N in biomass volatile is released as NH3, and it further acts as a reduction agent for NO, thus leading to the lowest NO emission.
Photoactive graphene quantum dots/bacterial cellulose hydrogels: Structural, mechanical, and pro‐oxidant study
Authors: Marković Zoran M. , Zmejkoski Danica Z. , Budimir Milica D. , Bugárová Nikol , Kleinová Angela , Kuzman Sanja B. , Špitalský Zdeno , Pavlović Vladimir B. , Milivojević Dušan D. , Todorović Marković Biljana M. 
Published: December 2021

AbstractDue to their unique structural properties bacterial cellulose (BC) hydrogels find possible usage in many fields such as cosmetology, food industry, or medicine. In this study, photoactive BC hydrogels are investigated through modifications of their structural, mechanical, and pro‐oxidant properties resulting from graphene quantum dots (GQDs) encapsulation. Detailed structural analysis is conducted by atomic force microscopy, transmission electron microscopy and scanning electron microscopy, X‐ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and X‐ray diffraction method. Dynamic mechanical analysis is performed to study the changes in storage modulus, loss modulus and tan δ. Pro‐oxidative properties of new designed composites are tested by electron paramagnetic resonance (EPR). Structural and mechanical analyses show successful encapsulation of GQDs into BC whereas EPR measurements indicate high potential of these composites for singlet oxygen production.
Morphometry of auditory ossicles in medieval human remains from Central Europe
Authors: Krenz‐Niedbała Marta , Łukasik Sylwia , Macudziński Jakub , Chowański Szymon 
Published: December 2021

AbstractHuman auditory ossicles, the malleus, the incus, and the stapes, are located in the tympanic cavity in the temporal bone and through forming a chain for the sound transmission from the tympanic membrane to the cochlea, they play an important role in the hearing process. Despite their clinical, phylogenetic, and evolutionary significance, the morphometry of the human ear bones has not been examined systematically. The ear ossicles are the smallest bones of the human skeleton, attaining their final size and morphology already at birth. Initially, they have been found to exhibit minimal morphometric variation, but further studies brought the opposite results. The aim of this study was to examine the morphometric variation of human auditory ossicles recovered from medieval and postmedieval subadult skeletons from Poland, Central Europe. The analysis involved in a total of 166 ear bones. Their measurements were performed on microscopic images using CorelDraw x4, according to a protocol of Quam and Rak with modification of Flohr et al. and Wadhwa et al. Our study showed a significant metric variation in the measurements taken at areas of the greatest morphological variability of the ossicles. We found that greater linear dimensions were associated with lower values of angular measurements. These results reveal the inherent variation found in these supposed functionally constrained structures. Representation of even greater number of populations, time periods, and developmental stages are needed. Further study will expand our understanding of the global scope of variation found in ear ossicular morphology and its functional implications for paleoanthropology.
Circular economy and environmental disclosure in sustainability reports: Empirical evidence in cosmetic companies
Authors: Tiscini Riccardo , Martiniello Laura , Lombardi Rosa 
Published: December 2021

AbstractThe purpose of this paper is to investigate the content and quality of circular economy (CE) and environmental information (CEEI) disclosure in sustainability reports. Additionally, it provides suggestions for heightening CEEI disclosure. Using the content analysis, we analysed the changes that took place after the European Union (EU) action plan (2015) selecting a sample of sustainable reports in the cosmetic industry in Italy in 2014 and 2019 years. We applied the Climate Disclosure Standard Board (CDSB) framework focused on 12 reporting requirements designed to encourage corporate standardized disclosure of environmental information. Our analysis is performed through a frequency term analysis. Additionally, to measure the general shift of semantic over the two years towards CEEI, a semi‐supervised topic modelling approach was applied, whose topics were obtained by aggregating all terms with a significant variation from the content analysis. Findings show that the recent reports (2019) include terms related to the environment in a slightly more frequent way compared to 2014. We provide stronger evidence of the shift in the origin of the topics, being coherent with the changes introduced from the EU 2015 act, and the requirements of the CDSB framework nevertheless the CE seems still under‐reported in the area of governance, strategy, management and performance. The paper discusses the need for further Institutional (EU directives), regulatory (CDSB framework) and stakeholders' pressure (on companies. Finally, the implementation of an integrated reporting for social, economic and environmental disclosure is suggested as a way to ensure an effective CEEI disclosure.
Ni2+ Catalyzed Cleavage of TrpLE‐Fused Small Transmembrane Peptides
Authors: Tang Meng , Cao Ruiyu , Du Lingyu , Xu Jikang , Wu Bin , OuYang Bo 
Published: December 2021

AbstractIn addition to a membrane anchor, the transmembrane domain (TMD) of single‐pass transmembrane proteins (SPTMPs) recently has shown essential roles in the cross‐membrane activity or receptor assembly/clustering. However, these small TMD peptides are generally hydrophobic and dynamic, difficult to be expressed and purified. Here, we have integrated the power of TrpLE fusion protein and a sequence‐specific nickel‐assisted cleavage (SNAC)‐tag to produce small TMD peptides in a highly efficient way under mild conditions, which uses Ni2+ as the cleavage reagent, avoiding the usage of toxic cyanogen bromide (CNBr). Furthermore, this method simplifies the downstream protein purification and reconstitution. Two representative TMDs, including the Spike‐TMD from severe acute respiratory syndrome coronavirus 2 (SARS2), were successfully produced with high‐quality nuclear magnetic resonance (NMR) spectra. Therefore, our study provides a more efficient and practical approach for general structural characterization of the small TM proteins.
Selective Glucose Sensing under Physiological pH with Flexible and Binder‐Free Prussian Blue Coated Carbon Cloth Electrodes
Authors: Chalil Oglou Ramadan , Ulusoy Ghobadi T. Gamze , Ozbay Ekmel , Karadas Ferdi 
Published: December 2021

AbstractThe frequent detection of physiological glucose levels from human blood or sweat requires the development of low‐cost electrodes with high sensitivity and selectivity. In this work, we prepared a series of Prussian blue (PB) modified carbon cloth (CC) electrodes with different cyanoferrate groups. We achieved a sensitivity as high as 145.43 μA mm−1cm−2 in a 0.1–6.5 mm concentration range with a response time below 2 s under physiological pH. The electrodes exhibited a superior selectivity of glucose in the presence of interfering agents, including sucrose, lactose, NaCl, ascorbic acid, and uric acid. The electrodes also showed outstanding long‐term stability over 15 days. Furthermore, we performed comprehensive electrochemical and characterization studies to elucidate the role of the cyanoferrate group on the morphologic and electronic properties of non‐enzymatic glucose sensors.
Organic Photocathode Supported by Copper Nanosheets Array for Overall Water Splitting
Authors: Zhang Rui , Sun Xingjun , Zheng Lingcheng , Diao Lingxue , Chen Feifei , Li Yan , Wang Shuli , Wang Yajiang , Wang Weihua , Lu Feng , Dong Hong , Liu Hui , Cheng Yahui 
Published: December 2021

AbstractThe Z‐scheme overall solar water splitting is a mimic of natural photosynthesis to convert solar energy into chemical energy. Since the energy levels of most organic semiconductors match well with the hydrogen evolution potential, they have great application prospects as photocathodes in Z‐scheme photoelectrochemical systems. However, due to the weak light absorption and difficult carrier separation, the photocurrent density and onset potential of organic photocathodes are still low. To solve these problems, we introduced a copper nanosheets array (Cu NSA) framework under organic layers to increase the surface reaction sites, improve the light absorption and enhance the distribution range of built‐in electric field simultaneously. As a result, the photocurrent density and onset potential of poly(3‐hexylthiophene) : [6,6]‐phenyl‐C61‐butyric acid (P3HT : PCBM) photocathode were enhanced significantly. The onset potential increased by 50 mV to 0.65 V vs. RHE, and the photocurrent density reached −1 mA cm−2 at 0 V vs. RHE, which was 18 times that of the sample without Cu NSA. The optimized photocathode was connected with titanium dioxide nanorods array photoanode in a tandem manner to realize the spontaneous overall water splitting. Without bias and co‐catalyst, the photocurrent density was maintained at 110 μA cm−2 and the solar‐to‐fuel conversion efficiency was 0.14 % in neutral solution. These results provide a feasible method for optimizing the performance of organic photocathodes.
Enantioselective NiH‐Catalyzed Reductive Hydrofunctionalization of Alkenes
Authors: He Yuli , Chen Jian , Jiang Xiaoli , Zhu Shaolin 
Published: December 2021

Comprehensive SummaryEnantioselective NiH‐catalyzed reductive hydrofunctionalization of olefins has attracted much attention in recent years. Using simple chiral ligands, a wide array of functionalized olefins and electrophiles can undergo diverse transformations to afford hydrofunctionalized products, regio‐ and enantioselectively. These processes avoid the prior preparation of organometallic reagents, and can construct a stereogenic center at a carbon originating either from the olefin or from the electrophile. This review discusses the background, major progress and mechanistic investigations in this reaction.
Two‐Dimensional Cathode Materials for Aqueous Rechargeable Zinc‐Ion Batteries†
Authors: Wang Yurou , Yin Jun , Zhu Jian 
Published: December 2021

Comprehensive SummaryRechargeable aqueous zinc‐ion batteries (ZIBs) featuring low cost, superior performance, and environmental benignity have attracted dramatic attention as a promising alternative energy storage system to lithium‐ion batteries. Nevertheless, the development of ZIBs is still hindered by the limited selection of cathode materials due to the large solvation sheath and charge density of Zn2+. Two‐dimensional (2D) materials have attracted extraordinary attention owing to the unique layered structure bonded by weak van der Waals’ forces, which makes them promising host materials for Zn2+ intercalation/de‐intercalation. In this review, the synthesis and properties of 2D materials for cathodes in ZIBs are discussed. Meanwhile, various reports on 2D materials as ZIBs cathodes are summarized. Three key strategies to elicit improved Zn2+ storage abilities: defect engineering, heterostructure engineering, and interlayer engineering, are highlighted. Finally, this review ends with perspectives relating to the challenges and opportunities of 2D materials‐based ZIBs.