bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solution‐Processed Silver Nanowire as Flexible Transparent Electrodes in Organic Solar Cells
Authors: Yang Yi , Xu Bowei , Hou Jianhui 
Published: April 2021

AbstractOrganic solar cells (OSCs) have attracted much attention due to their advantages in fabricating flexible and semi‐transparent devices. Especially, the light weight, flexibility and spectral adjustability make OSCs superior to silicon, perovskite and other thin film based solar cells in applications of integrated photovoltaic devices and wearable electronics. In flexible and semi‐transparent OSCs, transparent conducting electrodes (TCEs) play a key role in obtaining high performances. Among various TCEs, silver nanowire (AgNW) has become a promising candidate due to its low sheet resistance, high optical transparency, excellent mechanical flexibility and solution processability. In this article, we review the recent advances in AgNW‐based TCEs and their applications in the field of OSCs. Firstly, we introduce the general properties of AgNW, including optoelectronic and mechanical characteristics. Secondly, the preparation methods of AgNW are discussed, along with some approaches on the optimization of AgNW to overcome the shortcomings of TCEs. Thirdly, we discuss the applications of AgNW as TCEs in fabricating flexible and semi‐transparent OSCs, including the use of AgNW as bottom and top electrodes. Finally, we point out the challenges in AgNW‐based TCEs and suggest several guidelines for preparing AgNW so as to meet the demands for the practical use of OSCs.
First Principle Studies to Tailor Graphene Through Synergistic Effect as a Highly Efficient Electrocatalyst for Oxygen Evolution Reaction
Authors: Riyaz Mohd , Gupta Shuchi , Goel Neetu 
Published: April 2021

AbstractThe Oxygen Evolution Reaction (OER) is one of the major roadblocks for electrocatalytic oxidation of water (water splitting) and for designing efficient metal‐air batteries. Herein, we present a comprehensive study to design graphene based efficient electrocatalyst, modified by doping with main group elements Al, Si, P, S and co‐doping with B and N, for OER using DFT computations. Four elementary steps in the OER reaction have been traced, free energy change for each elementary step was calculated considering thermodynamic corrections. Out of all the doped models, S doped graphene shows maximum efficiency that was further enhanced by adjusting the concentration of codopants B and N around the active dopant site. Our results show that synergy between codopants B and N and dopant S atom leads to high electrocatalytic efficiency of modified graphene towards OER and brings down the overpotential to as low as 0.44 V.
How Do Defects in Carbon Nanostructures Regulate the Photoinduced Electron Transfer Processes? The Case of Phenine Nanotubes
Authors: Stasyuk Olga A. , Stasyuk Anton J. , Solà Miquel , Voityuk Alexander A. 
Published: April 2021

AbstractPhotoinduced electron transfer is studied in a series of inclusion complexes of structurally modified phenine nanotubes (pNT) withC70using the TD‐DFT method. Analysis of electronic properties of the complexes shows that the electron transfer is infeasible inpNT_4d⊃C70built on the tetrameric array of [6]cyclo‐meta‐phenylene ([6]CMP) units. However, replacing one or more [6]CMP units with a coronene moiety enables electron transfer frompNTtoC70. The generation of the charge separated states from the lowest locally excited states occurs on a sub‐nanosecond time scale. Depending on the number of the [6]CMP units, the charge recombination rate varies from 1.8 ⋅ 107to 3.1 ⋅ 102 s−1, i. e., five orders of magnitude.
Formation of Titanium Nitride, Titanium Carbide, and Silicon Carbide Surfaces by High Power Femtosecond Laser Treatment
Authors: Fedorov Rostislav , Lederle Felix , Li Mingji , Olszok Vinzent , Wöbbeking Karl , Schade Wolfgang , Hübner Eike G. 
Published: April 2021

AbstractCoatings based on titanium nitrides, titanium carbides and silicon carbides can optimize the surface properties of titanium or silicon for various applications ranging from biocompatibility to chemical stability and durability. Here, we investigated a high power (100 W) high pulse repetition rate femtosecond laser process (λ=1030 nm, τ=750 fs, f=1 MHz) for the treatment of titanium and silicon in atmospheres of argon, nitrogen, methane, ethene and acetylene. In a nitrogen atmosphere, a homogeneous coating of TiON is formed on titanium. In an ethene/argon atmosphere coatings of TiOC and SiC are formed on Ti and Si, respectively. The process allows a fast surface transformation with a process rate of 0.33 cm2 s−1 and a high spatial resolution below 0.5 mm with a minimal heat affected zone at the same time. In contrast to low repetition rate femtosecond laser processed samples, the surfaces are more robust against mechanical impact. At the same time, the surfaces reveal a distinct microstructure in comparison to coatings obtained by vapor deposition techniques.
Recyclable, Bifunctional Metallaphotocatalysts for C−S Cross‐Coupling Reactions
Authors: Reischauer Susanne , Pieber Bartholomäus 
Published: April 2021

AbstractMetallaphotocatalytic cross‐coupling reactions are typically carried out by combining homogeneous or heterogeneous photocatalysts with a soluble nickel complex. Previous attempts to realize recyclable catalytic systems use immobilized iridium complexes to harvest light. We present bifunctional materials based on semiconductors for metallaphotocatalytic C−S cross‐coupling reactions that can be reused without losing their catalytic activity. Key to the success is the permanent immobilization of a nickel complex on the surface of a heterogeneous semiconductor through phosphonic acid anchors. The optimized catalyst harvests a broad range of the visible light spectrum and requires a nickel loading of only ∼0.1 mol %.
Climate and multiple dimensions of plant diversity regulate ecosystem carbon exchange along an elevational gradient
Authors: Prager Case M. , Jing Xin , Henning Jeremiah A. , Read Quentin D. , Meidl Peter , Lavorel Sandra , Sanders Nathan J. , Sundqvist Maja , Wardle David A. , Classen Aimee T. 
Published: April 2021

AbstractThe impacts of warming on communities and ecosystems are predicted to be significant in mountain ecosystems because physiological processes, including rates of carbon (C) cycling, are often more temperature‐sensitive in colder environments. Plant biodiversity can also influence C exchange, yet few studies integrate how biotic and abiotic factors may directly or interactively impact ecosystem C flux. Here, we examine the link between simultaneous changes in multiple dimensions of plant diversity and peak growing season ecosystem C uptake across a climatic gradient in the Rocky Mountains, Colorado, USA. We found that taxonomic diversity (species richness), functional diversity (functional evenness), and phylogenetic diversity (mean pairwise distance) were significantly and positively related to peak growing season ecosystem C uptake (i.e., net ecosystem exchange) when considered independently. However, when abiotic and biotic factors were integrated in a structural equation model, only plant phylogenetic diversity was significantly related to C uptake. In addition, we found that actual evapotranspiration (AET—a measure that integrates precipitation and temperature) affected ecosystem C exchange indirectly via its impact on the three dimensions of plant diversity that we examined. These findings highlight complex relationships among key measures of biodiversity and ecosystem C uptake in a rapidly warming ecosystem, and the possible mechanisms that underlie relationships between biodiversity and ecosystem functioning. They also point to the need for integrating multiple dimensions of biodiversity into studies of community and ecosystem ecology.
Use of Isopropyl Alcohol as a Reductant for Catalytic Dehydoxylative Dimerization of Benzylic Alcohols Utilizing Ti−O Bond Photohomolysis
Authors: Sumiyama Keiichi , Toriumi Naoyuki , Iwasawa Nobuharu 
Published: April 2021

AbstractPhotohomolysis of Ti−O bonds is utilized in photocatalytic generation of titanium(III) species for dehydroxylative dimerization of benzylic alcohols under UV‐light irradiation by using isopropyl alcohol (IPA) as a stoichiometric reductant. In this reaction, IPA works not as a single‐electron donor as in the photo‐redox catalyzed reactions but as an H‐atom‐donor. The reaction also proceeds under visible‐light irradiation in the presence of thioglycolic acid as a ligand.
Copper Catalyzed Protosilylation/Protoborylation of gem‐Difluoroallenes
Authors: Shan Cui‐Cui , Dai Kai‐Yang , Zhao Meng , Xu Yun‐He 
Published: April 2021

AbstractWe have developed a protocol for protoborylation and protosilylation of gem‐difluoroallenes to afford gem‐difluoroallyl‐boronates and gem‐difluoroallylsilanes. It is different from non‐fluorine allenes in which nucleophiles are added to γ‐position of gem‐difluoroallenes to afford β,γ‐addition products. Not only monosubstituted gem‐difluoroallenes but also disubstituted gem‐difluoroallenes could react well with silaboronate (PhMe2Si−Bpin) and bis(pinacolato)diboron (B2pin2). The protocol is simple and efficient to construct compounds which contain tertiary/secondary gem‐difluoroallylboronates and gem‐difluoroallylsilanes. Moreover, diverse organofluorine compounds can be converted from these organoboronates and silanes.
A Highly Sensitive and Selective Label‐free Electrochemical Biosensor with a Wide Range of Applications for Bisphenol A Detection
Authors: Yang Yingying , Liu Siyao , Shi Penghui , Zhao Guohua 
Published: April 2021

AbstractA label‐free DNA‐based electrochemical biosensor owning high sensitivity and selectivity has been established for detecting bisphenol A in a wide range of applications. Coupling the high electrochemical performance of graphene oxide‐thionine‐Au nanomaterial with the specific binding capacity of the aptamers to BPA, the monitoring of trace amount of BPA was realized, the detection limit was 3.3 pg ⋅ mL−1 with strong anti‐interference. Besides, using molecular docking, it was found that BPA binds to the bases DC‐49, DC‐51, DG‐52, DG‐53 and DA‐63 on the aptamer via hydrogen bonding and π‐π stacking interactions. Finally, the biosensor had been successfully applied in different real samples.
Oral irritation in patients with chemosensory dysfunction
Authors: Han Pengfei , Seo Han‐Seok , Klockow Marie , Yan Xiaoguang , Hähner Antje , Hummel Thomas 
Published: April 2021

AbstractIntroductionEvidence accumulates to support the interaction among gustatory, olfactory and trigeminal sensations. While olfactory dysfunction is associated with impaired taste or intranasal trigeminal perception, less is known about the perception of oral irritative intensity among patients with olfactory or gustatory dysfunctions.Method148 patients with olfactory and/or gustatory dysfunctions received oral administration of chili powder samples with varied irritation levels, and rated the oral irritation intensity on an 11‐point scale. Gustatory sensitivity was assessed using the ‘Taste Strips’ test among a subset of the patients (N = 25). Other variables including the aetiology of disease and a frequency of spicy food consumption were also recorded for exploratory analyses.ResultsParticipants with anosmia rated oral irritations of chili powder significantly less than participants with normosmia. In the subsample, a positive correlation was observed between the individual scores of the ‘Taste Strips’ test and ratings of oral irritation intensity at the highest level of chili powder test. There were no effects of age, aetiology, subjective ratings of sensitivity to spicy food or frequency of spicy food consumption with respect to oral irritation intensity of chili powder samples.ConclusionThe current results showed reduced oral irritation intensity among patients with severe olfactory loss. Impaired oral irritative perception among these participants may be related to disturbed central nervous interactions between the various sensory systems involved in flavour perception.
MHD instability of the pressure‐driven plane laminar flow in the presence of the uniform coplanar magnetic field: Linear stability analysis
Authors: Basavaraj M. S. , Aruna A. S. , Kumar Vijaya , Shobha T. 
Published: April 2021

AbstractThe influence of the uniform longitudinal magnetic field on the stability against small disturbances of an electrically conducting Newtonian fluid flow between two parallel horizontal plates is investigated. The sixth‐order system of disturbance equations is solved by the Chebyshev collocation method, and the critical Reynolds number , the critical wave number , and the critical wave speed are computed for a wide range of the magnetic Reynolds number and Alfven number A. Curves of wave number against Reynolds number for neutral stability are presented for different values of the parameters. The onset of instability is also discussed in detail using the growth rate curves for various parameters of the problem. It is observed that the effect of both conductivity of the fluid and the strength of the magnetic field is to decay the onset of instability. A comprehensive study is carried out at the critical state of the fluid using the graph of , , and with respect to for various values of A. The critical values at the onset of instability are also presented for both the Galerkin method and the Chebyshev collocation method.
Effect of material parameter on mixed convective fully developed micropolar fluid flow in a vertical channel
Authors: Kalyan Shreedevi , Sharan Ashwini , S Jyothi 
Published: April 2021

AbstractIn this study, the effect of material parameter on the mixed convective fully developed micropolar fluid flow in a vertical channel has been analyzed. By considering appropriate boundary and interface conditions, the coupled nonlinear equations are solved analytically. The analytical results are plotted for various important parameters. It is found that an increase in the material parameter enhances the microrotation velocity and decreases the fluid velocity, and the results are shown graphically.
Prediagnosis alcohol intake and metachronous cancer risk in cancer survivors: A prospective cohort study
Authors: Jayasekara Harindra , Hodge Allison M. , Haydon Andrew , Room Robin , Hopper John L. , English Dallas R. , Smith‐Warner Stephanie A. , Giles Graham G. , Milne Roger L. , MacInnis Robert J. 
Published: April 2021

AbstractAlcohol consumption is a known cause of cancer, but its role in the etiology of second primary (metachronous) cancer is uncertain. Associations between alcohol intake up until study enrollment (prediagnosis) and risk of metachronous cancer were estimated using 9435 participants in the Melbourne Collaborative Cohort Study who were diagnosed with their first invasive cancer after enrollment (1990‐1994). Follow‐up was from date of first invasive cancer until diagnosis of metachronous cancer, death or censor date (February 2018), whichever came first. Alcohol intake for 10‐year periods from age 20 until decade encompassing baseline using recalled beverage‐specific frequency and quantity was used to calculate baseline and lifetime intakes, and group‐based intake trajectories. We estimated hazard ratios (HRs) and 95% confidence intervals (CIs), adjusted for potential confounders. After a mean follow‐up of 7 years, 1512 metachronous cancers were identified. A 10 g/d increment in prediagnosis lifetime alcohol intake (HR = 1.03, 95% CI = 1.00‐1.06; Pvalue = .02) and an intake of ≥60 g/d (HR = 1.32, 95% CI = 1.01‐1.73) were associated with increased metachronous cancer risk. We observed positive associations (per 10 g/d increment) for metachronous colorectal (HR = 1.07, 95% CI = 1.00‐1.14), upper aero‐digestive tract (UADT) (HR = 1.16, 95% CI = 1.00‐1.34) and kidney cancer (HR = 1.24, 95% CI = 1.10‐1.39). Although these findings were partly explained by effects of smoking, the association for kidney cancer remained unchanged when current smokers or obese individuals were excluded. Alcohol intake trajectories over the life course confirmed associations with metachronous cancer risk. Prediagnosis long‐term alcohol intake, and particularly heavy drinking, may increase the risk of metachronous cancer, particularly of the colorectum, UADT and kidney.
Irrigation frequencies and reference evapotranspiration replacement affecting annual bluegrass encroachment in perennial ryegrass in western Oregon
Authors: Cain Alyssa , Braithwaite Emily , McDonald Brian , Kowalewski Alec , Elmore Matthew 
Published: April 2021

AbstractAnnual bluegrass (Poa annua L.) encroachment may increase when turfgrass is maintained with excessive irrigation; however, with proper deficit irrigation, annual bluegrass germination and growth may be suppressed while desirable turfgrass is sustained. The goal of this project was to determine the optimal irrigation regime for suppressing annual bluegrass in perennial ryegrass (Lolium perenne L.) stands during the summer months. Two frequencies (once or four times a week) and rates (45% and 80% reference evapotranspiration [ETref] replacement) were used to assess the encroachment of annual bluegrass in perennial ryegrass maintained at 5 cm. Experimental design was a 2 × 2 factorial randomized complete block design with four replications. Preliminary findings suggest that irrigation applied once a week will reduce annual bluegrass compared to irrigation four times a week, while ETref replacement had no effect on annual bluegrass encroachment. Findings also suggest that frequent irrigation will increase turfgrass quality and soil moisture in the top 3.8 cm.
3D magnetic nanocomposite scaffolds enhanced the osteogenic capacities of rat bone mesenchymal stem cells in vitro and in a rat calvarial bone defect model by promoting cell adhesion
Authors: Han Liping , Guo Yu , Jia Lu , Zhang Qian , Sun Liuxu , Yang Zukun , Dai Yang , Lou Zhichao , Xia Yang 
Published: April 2021

AbstractMagnetic scaffolds incorporated with iron oxide nanoparticles (IONPs) are biocompatible and present excellent osteogenic properties. However, the underlying mechanism is unclear. In this study, 3D‐printed poly(lactic‐co‐glycolic acid) scaffolds were coated with IONPs using layer‐by‐layer assembly (Fe‐scaffold) to prepare magnetic scaffolds. The effects of this modification on osteogenesis were investigated by comparison with untreated scaffolds (Uncoated‐scaffold). The results showed that the proliferation of rat bone mesenchymal stem cells (rBMSCs) on the Fe‐scaffold was enhanced compared with those on the Uncoated‐scaffold (p < 0.05). The alkaline phosphatase activity and expression levels of osteogenic‐related genes of cells on the Fe‐scaffold were higher than those on the Uncoated‐scaffold (p < 0.05). Fe‐scaffold was found to promote the cell adhesion compared with Uncoated‐scaffold, including increasing the adhered cell number, promoting cell spreading and upregulating the expression levels of adhesion‐related genes integrin α1 and β1 and their downstream signaling molecules FAK and ERK1/2 (p < 0.05). Moreover, the amount of new bone formed in rat calvarial defects at 8 weeks decreased in the order: Fe‐scaffold > Uncoated‐scaffold > Blank‐control (samples whose defects were left empty) (p < 0.05). Therefore, 3D magnetic nanocomposite scaffolds enhanced the osteogenic capacities of rBMSCs in vitro and in a rat calvarial bone defect model by promoting cell adhesion. The mechanisms were attributed to the alteration in its hydrophilicity, surface roughness, and chemical composition.
Monitoring mechanical stimulation for optimal tendon tissue engineering: A mechanical and biological multiscale study
Authors: Garcia Garcia Alejandro , Perot Jean‐baptiste , Beldjilali‐Labro Megane , Dermigny Quentin , Naudot Marie , Le Ricousse Sophie , Legallais Cecile , Bedoui Fahmi 
Published: April 2021

AbstractTo understand the effect of mechanical stimulation on cell response, bone marrow stromal cells were cultured on electrospun scaffolds under two distinct mechanical conditions (static and dynamic). Comparison between initial and final mechanical and biological properties of the cell‐constructs were conducted over 14 days for both culturing conditions. As a result, mechanically stimulated constructs, in contrast to their static counterparts, showed evident mechanical‐induced cell orientation, an effective aligned collagen and tenomodulin extracellular matrix. This orientation provides clues on the importance of mechanical stimulation to induce a tendon‐like differentiation. In addition, cell and collagen orientation lead to enhanced storage modulus observed under dynamic stimulation. Altogether mechanical stimulation lead to (a) cell and matrix orientation through the sense of the stretch and (b) a dominant elastic response in the cell‐constructs with a minor contribution of the viscosity in the global mechanical behavior. Such a correlation could help in further studies to better understand the effect of mechanical stimulation in tissue engineering.
Equilibrium between tri‐ and tetra‐coordinate chalcogenuranes is critical for cysteine protease inhibition
Authors: Dias‐da‐Silva Gabriela , L. O. R. Cunha Rodrigo , D. Coutinho‐Neto Mauricio 
Published: April 2021

AbstractThere have been significant advances in the biological use of hypervalent selenium and tellurium compounds as cysteine protease inhibitors. However, the full understanding of their reaction mechanisms for and cysteine proteases inhibition is still elusive. Kinetic studies suggest an irreversible inhibition mechanism, which was explained by forming a covalent bond between the enzyme sulfhydryl group and the chalcogen atom at its hypervalent state (+4). In this work, we performed a theoretical investigation using density functional theory to propose the active inhibitor form in an aqueous solution. To this end, we investigated chloride ligand exchange reactions by oxygen and sulfur nucleophiles on hypervalent selenium and tellurium compounds. All tetra‐ and tri‐coordinated chalcogen compounds and distinct protonation states of the nucleophiles were considered, totaling 34 unique species, 7 nucleophiles, and 155 free energies reactions. We discovered that chloride is easily replaced by a nonprotonated nucleophile (SH− or OH−) in R2SeCl2. We also found that tri‐coordinate species are more stable than their tetra‐coordinate counterparts, with selenoxide (R2SeO) protonation being strongly exergonic in acid pH. The thermodynamic and kinetic results suggest that the protonated selenoxide (R2SeOH+) is the most probable active chemical species in biological media. The computed energetic profiles paint a possible picture for selenuranes activity, with successive exergonic steps leading to a covalent inhibition of thiol‐dependent enzymes, like cysteine proteases. A second pathway has also been uncovered, with a direct reaction to chalcogenonium cation (R2SeCl+) as the inhibition step. Tellurium compounds showed similar trends but formed telluroxide in a pH‐independent fashion.