bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Study on two Direct Z‐scheme Heterostructure Photocatalysts for Efficient Photohydrolysis and Catalytic Oxidation of Formaldehyde, CdS/BiOF and g‐C3N4/BiOF
Authors: Zhang Yiming , Qi Shuyan , Yu Jintao , Zhang Ruiyan , Liu Xueting , Zhang Kaiyao 
Published: December 2022

AbstractGraphitic carbon nitride (g‐C3N4) and cadmium sulfide (CdS) have attracted much attention due to their suitable band gap and excellent photocatalytic activity.Although BiOF cannot respond to visible light due to its ultra‐high band gap (3.6 eV), its strong oxidizing property is attractive to researchers.Therefore, in this study, we employed first‐principles studies to design mediator‐free CdS/BiOF and g‐C3N4/BiOF heterostructured photocatalysts. Then, the band structures, optical properties, charge transfer and radical generation reactions of the CdS/BiOF and g‐C3N4/BiOF heterostructures were calculated, respectively.The results show that the heterostructure exhibits hydrogen evolution and reactive radical generation potential under visible light irradiation. In addition, an interfacial electric field is generated during the interfacial charge transfer process of the heterostructure, and the generated interfacial electric field improves the separation efficiency of photogenerated carriers. This improvement is attributed to CdS (or g‐C3N4) acting as an electron acceptor, enabling the migration of photogenerated carriers at the interface to conform to the direct z‐scheme. Furthermore, we designed a method for catalytic oxidation of formaldehyde on the surface of heterostructures by exploiting the strong oxidizing properties of BiOF, which broadened the applicable scope of CdS/BiOF and g‐C3N4/BiOF heterostructures. This work facilitates the design of novel Z‐scheme photocatalysts and provides new insights into the Z‐scheme charge transfer mechanism in the field of solar energy conversion.
Applications of Cobalt‐Catalyzed Reactions in the Total Synthesis of Natural Products
Authors: Momeni Tayebeh , Zadsirjan Vahideh , Hadi Meshkatalsadat Mohammad , Pourmohammadi‐Mahunaki Mohammadali 
Published: December 2022

AbstractCobalt‐catalyzed has attracted much attention, and being used to the total synthesis of a wide range of naturally occurring compounds having complex structures. The chemist of natural products is a distinct part of chemical research that has been important in the history of chemistry, pharmacology, the finding of substances in initial preclinical drug discovery research, and also the understanding of folk medicine. The Cobalt‐catalyzed reaction has frequently been used as a key step (steps) in the total synthesis of natural products and targeted complex bioactive molecules. In this review, we want to show the application of cobalt‐catalyzed reactions in the synthesis of natural products having biological activities from 2000 till date.
Anion‐Vacancy Modified WSSe Nanosheets on 3D Cross‐Networked Porous Carbon Skeleton for Non‐Aqueous Sodium‐Based Dual‐Ion Storage
Authors: Lei Hongyu , Wang Hui , Cheng Bingxue , Zhang Fan , Liu Xiaojie , Wang Gang , Wang Beibei 
Published: December 2022

AbstractSodium‐based dual‐ion batteries (SDIBs) have become a new type of energy storage device with great application value because of their high operating voltage, high energy density, and low cost. However, transition‐metal dichalcogenide (TMD) anodes show unsatisfactory Na+ electrochemical performance owing to the low intrinsic conductivity and inferior ion transport kinetics. Here, an elaborate design is developed to prepare a composite of WSSe nanosheets supported on a 3D cross‐networked porous carbon skeleton (WSSe@CPCS), which possesses en‐rich anion vacancies and WSSe with expanded inter‐layer spacing, as well as an interconnected porous structure. As a result, the WSSe@CPCS anode for sodium‐ion batteries (SIBs) exhibits preeminent reversible capacities, excellent cycle stability, and superior rate capability. The systematic electrochemical kinetic analysis and density functional theory results further show that the effect of anion vacancies and CPCS synergistically enhances the conductivity and reduces charge transfer resistance, thus making a great contribution to fast reaction kinetics. Finally, the implementations of the WSSe@CPCS anode in progressive SIB and DIB full‐cell configurations exhibit satisfactory performance, which reveals their widely practical application. This research will provide an exciting approach to designing advanced defect‐structured tungsten‐based TMD materials for SIBs, DIBs, and even a broad range of energy storage.
Programmatically Dynamic Microcompartmentation in Coacervate‐in‐Pickering Emulsion Protocell
Authors: Chen Mengqing , Liu Guoliang , Zhang Ming , Li Yanyan , Hong Xinlin , Yang Hengquan 
Published: December 2022

AbstractThe desire for exploration of cellular functional mechanisms has substantially increased the rapid development of artificial cells. However, the construction of synthetic cells with high organizational complexity remains challenging due to the lack of facile approaches ensuring dynamic multi‐compartments of cytoplasm and stability of membranes in protocells. Herein, a stable coacervate‐in‐Pickering emulsion protocell model comprising a membraneless coacervate phase formed by poly‐l‐lysine (PLys) and adenosine triphosphate (ATP) encapsulated in Pickering emulsion is put forward only through simple one‐step emulsification. The dynamic distribution of intracellular components (coacervates in this protocell model) can be manipulated by changes in temperature or pH. This coacervate‐in‐Pickering emulsion protocell system exhibits repeatable cycle stability in response to external stimuli (at least 24 cycles for temperature and 3 cycles for pH). By encapsulating antagonistic enzymes into coacervates, glucose oxidase (GOx) and urease as an example, the control of local enzyme concentration is achieved by introducing glucose and urea to adjust the pH value in Pickering emulsion droplets. This hybrid protocell model with programmatically dynamic microcompartmentation and sufficient stability is expected to be further studied and applied in cellular biology, facilitating the development of lifelike systems with potential in practical applications.
Interfacial Engineering of Polycrystalline Pt5P2 Nanocrystals and Amorphous Nickel Phosphate Nanorods for Electrocatalytic Alkaline Hydrogen Evolution
Authors: Li Yanxin , Wu Zhijing , Zhang Xiaoyan , Song Fuzhan , Cao Lixin , Sheng Hongbin , Gao Xuefei , Li Can , Li Haiyan , Li Wei , Dong Bohua 
Published: December 2022

AbstractElectrocatalytic hydrogen evolution reaction (HER) in alkaline media is important for hydrogen economy but suffers from sluggish reaction kinetics due to a large water dissociation energy barrier. Herein, Pt5P2 nanocrystals anchoring on amorphous nickel phosphate nanorods as a high‐performance interfacial electrocatalyst system (Pt5P2 NCs/a‐NiPi) for the alkaline HER are demonstrated. At the unique polycrystalline/amorphous interface with abundant defects, strong electronic interaction, and optimized intermediate adsorption strength, water dissociation is accelerated over abundant oxophilic Ni sites of amorphous NiPi, while hydride coupling is promoted on the adjacent electron‐rich Pt sites of Pt5P2. Meanwhile, the ultra‐small‐sized Pt5P2 nanocrystals and amorphous NiPi nanorods maximize the density of interfacial active sites for the Volmer–Tafel reaction. Pt5P2 NCs/a‐NiPi exhibits small overpotentials of merely 9 and 41 mV at −10 and −100 mA cm−2 in 1 M KOH, respectively. Notably, Pt5P2 NCs/a‐NiPi exhibits an unprecedentedly high mass activity (MA) of 14.9 mA µgPt−1 at an overpotential of 70 mV, which is 80 times higher than that of Pt/C and represents the highest MA of reported Pt‐based electrocatalysts for the alkaline HER. This work demonstrates a phosphorization and interfacing strategy for promoting Pt utilization and in‐depth mechanistic insights for the alkaline HER.
A Microfluidic Contact Lens to Address Contact Lens‐Induced Dry Eye
Authors: Zhu Yangzhi , Nasiri Rohollah , Davoodi Elham , Zhang Shiming , Saha Sourav , Linn Matthew , Jiang Lu , Haghniaz Reihaneh , Hartel Martin C. , Jucaud Vadim , Dokmeci Mehmet R. , Herland Anna , Toyserkani Ehsan , Khademhosseini Ali 
Published: December 2022

AbstractThe contact lens (CL) industry has made great strides in improving CL‐wearing experiences. However, a large amount of CL wearers continue to experience ocular dryness, known as contact lens‐induced dry eye (CLIDE), stemming from the reduction in tear volume, tear film instability, increased tear osmolarity followed by inflammation and resulting in ocular discomfort and visual disturbances. In this article, to address tear film thinning between the CL and the ocular surface, the concept of using a CL with microchannels to deliver the tears from the pre‐lens tear film (PrLTF) to the post‐lens ocular surface using in vitro eye‐blink motion is investigated. This study reports an eye‐blink mimicking system with microfluidic poly(2‐hydroxyethyl methacrylate) (poly(HEMA)) hydrogel with integrated microchannels to demonstrate eye‐blink assisted flow through microchannels. This in vitro experimental study provides a proof‐of‐concept result that tear transport from PrLTF to post‐lens tear film can be enhanced by an artificial eyelid motion in a pressure range of 0.1–5 kPa (similar to human eyelid pressure) through poly(HEMA) microchannels. Simulation is conducted to support the hypothesis. This work demonstrates the feasibility of developing microfluidic CLs with the potential to help prevent or minimize CLIDE and discomfort by the enhanced transport of pre‐lens tears to the post‐lens ocular surface.
Performance analysis of cost‐effective hybrid polypropylene‐steel engineered cementitious composites and prediction based on artificial neural network
Authors: Soniya Soundararaj Manju , Chithra Rethnasamy 
Published: December 2022

AbstractEngineered Cementitious Composites (ECCs) is a high‐performance fiber‐reinforced cementitious composite renowned for their excellent tensile strain hardening behavior. Among the reinforcing fibers, PolyVinyl Alcohol (PVA) featuring sufficient tensile strength but the fiber's cost is relatively high. Hence, this research has attempted to obtain strain‐hardening ECC by locally available fibers. Hybridization of Recron 3s PolyPropylene (PP) fibers and hooked‐ended steel fibers (SFs) were chosen to improve the strain hardening behavior. According to the compressive test and direct tensile test results, mixes developed with 1.7% PP and 0.3% SF displayed better strain corresponding to ultimate load due to the better dispersion of the fibers. Toughness indices and residual strength factor were also estimated using ASTM C 1018 standards. Based on the observations, slabs contains 1.9% PP along with 0.1% SF has a significant impact on toughness indices and residual strength factor. However, the fracture energy increases by increasing the equivalent steel reinforcing indices from 20 to 55. Finally, the cost of the composites has been compared by frequently used PVA‐ECCs from the literature. It could be concluded that the cost could be reduced by around 75% by using the currently used hybrid ECC rather than PVA‐ECC. This study also presents the prediction of mechanical properties of hybrid ECC based on the artificial neural network. In conclusion, feedforward neural networks using a backpropagation algorithm and two processing layers demonstrated adequate ability to predict the mechanical properties of hybrid ECCs.
Experimental and numerical analysis of concrete slabs reinforced with rebar and recycled steel fibers from waste car tyres
Authors: Frančić Smrkić Marina , Damjanović Domagoj , Baričević Ana , Uroš Mario 
Published: December 2022

AbstractIn light of various initiatives taken around the world to convert waste materials into new products, the objective of this paper is to promote the use of steel fibers from recycled car tyres in the concrete industry. Hybrid steel fiber reinforced concrete (HSFRC) is a material that combines two or more types of steel fibers, in this case: manufactured steel fibers and recycled steel fibers from waste car tyres in equal proportions. The main objective of the presented research was to investigate the possible application of HSFRC in structural elements with conventional reinforcing bars in order to improve the flexural behavior and to investigate the possibility of partially replacing the conventional reinforcement with steel fibers in terms of service performance. For this purpose, eight slab specimens with different reinforcement ratios were subjected to a four‐point bending test to measure displacements, strength, and crack widths. The addition of a hybrid fiber mix to a conventionally reinforced concrete slab significantly reduced crack widths by up to 53%. The addition of fibers compensated for a conventional reinforcement reduction of 20% by reducing crack widths by up to 38%. It was observed that slightly more cracks opened with smaller widths and at smaller distances from each other in these slab types than in the conventionally reinforced reference slabs. Slabs with hybrid fiber mix and 44% reinforcement reduction showed no improvement in crack control compared to the conventionally reinforced concrete reference slabs. Using numerical models in ABAQUS simulating the flexural test on notched prismatic specimens, a calibration of the material models of plain concrete, and HSFRC was performed based on the test results. These validated material models were used for numerical modeling of slabs. The results of the analyses compared with the experimental results showed good agreement and confirmed the ability of the proposed material model of HSFRC to predict the flexural behavior of slabs with conventional reinforcement.
Co‐creating online leadership learning spaces: Emerging practices in graduate and professional leadership education
Authors: Darby Flower 
Published: December 2022

AbstractTeaching innovative and engaging online and hybrid courses enables us as leadership educators to model effective leadership practices for graduate and professional students, promote equitable outcomes, and contribute to increased diversity in workplace leaders. Based on two theoretical frameworks, this article will explore practical course design and teaching tips that facilitate increased engagement for online students and instructors too.
A call for the leadership education field
Authors: Breen Jennifer Moss , Gleason Michael C. 
Published: December 2022

AbstractThe collective message of this series of articles was formed by the thoughts of seasoned leadership educators. Their truth and investment in leadership education are clear. In this closing article, we share our thoughts on their many perspectives, ideas, and challenges. This article summarizes and synthesizes these articles with the metaphor of the bamboo field that strongly relates to the field of leadership education today.
Magnetohydrodynamics stagnation point flow and heat transfer over a non‐isothermal permeable shrinking sheet with variable surface temperature
Authors: Parida Sampada Kumar , Swain Kharabela 
Published: December 2022

AbstractThe present study is intended to analyse the effect of heat and mass transfer on boundary layer stagnation point flow of a viscous fluid over a non‐isothermal shrinking sheet subject to transverse magnetic field and variable surface temperature. The medium of flow is considered to be porous. Further, the effect of variable surface temperature and concentration are also taken care of in the present analysis. The governing partial differential equations (PDEs) are transformed into ordinary differential equations (ODEs) by suitable similarity transformations. The numerical simulation is carried out using Runge–Kutta method of fourth order with shooting technique. The physical significance of pertinent parameters of the flow phenomenon is studied with the help of graphs and tables. One striking outcome of the present analysis is that the unstable velocity profiles with inflection points are marked due to power law variation of temperature and concentration of the linearly stretchable bounding surface leaving aside the smooth fall in temperature and concentration (span wise) across the flow field. Further, it is noted that increase in magnetic field intensity, suction and thermal as well as mass buoyancy parameters enhance the skin friction concomitantly favouring the effective momentum transport.
Diffusion‐thermo effect on convective MHD flow of Cu‐water nanofluid including ramped wall temperature, velocity and concentration
Authors: Gohain Dipunja , Ahmed Nazibuddin 
Published: December 2022

AbstractAn unsteady convective MHD flow of water based Cu‐nanofluid past an impulsively started infinite vertical plate embedded in porous medium including ramped velocity, temperature and concentration in the existence of diffusion‐thermo effect, radiation and chemical reaction has been investigated. The non‐dimensional domain equations are computed by adopting Laplace transform technique. The impact of various pertinent parameters that are associated with the fluid velocity, temperature, concentration and moreover on skin friction coefficient, Nusselt number and Sherwood number has been represented graphically. It is figured out that, increase of Dufour effect causes to rise in both the momentum and temperature boundary layer. Further, it is ascertained that increase in the volume fraction of nanoparticles causes fall of velocity whereas it increases temperature together with the rate of heat transfer at the walls.
Bounding the Residual Tropospheric Error by Interval Analysis
Authors: Su Jingyao , Schön Steffen 
Published: December 2022

Abstract
GNSS integrity monitoring requires proper bounding to characterize all ranging error sources. Unlike classical approaches based on probabilistic assumptions, our alternative integrity approach depends on deterministic interval bounds as inputs. The intrinsically linear uncertainty propagation with intervals is adequate to describe remaining systematic uncertainty, the so-called imprecision. In this contribution, we make a proposal on how to derive the required intervals in order to quantify and bound the residual error for empirical troposphere models, based on the refined sensitivity analysis via interval arithmetic. We evaluated experimentally the Saastamoinen model with (i) a priori ISO standard atmosphere, and (ii) on-site meteorological measurements from IGS and Deutscher Wetterdienst (DWD) stations as inputs. We obtain consistent and complete enclosure of residual ZPD errors w.r.t IGS ZPD products. Thanks to the DWD dense network, interval maps for meteorological parameters and residual ZPD errors are generated for Germany as by-products. These experimental results and products are finally validated, taking advantage of the high-quality tropospheric delays estimated by the Vienna Ray Tracer. Overall, the results indicate that our strategy based on interval analysis successfully bounds tropospheric model uncertainty. This will contribute to a realistic uncertainty assessment of GNSS-based single point positioning.
Prevalence and characteristics of unipolar mania in a low-income country setting: population-based data from the Butajira cohort, rural Ethiopia
Authors: Wikström Fredrik , Zeberg Hugo , Mayston Rosie , Backlund Lena , Fekadu Abebaw 
Published: December 2022

Abstract
Purpose
Previous research suggests unipolar mania, i.e., bipolar disorder without depression, to be more common in low-income countries. However, longitudinal population-based studies on unipolar mania from low-income countries are lacking. This study therefore examined unipolar mania, in Butajira, Ethiopia, and associations with possible determinants.

Methods
Key informants and 68,378 screenings with the Composite International Diagnostic Interviews (CIDI 2.1) identified suspected cases of bipolar disorder. Diagnosis was confirmed using the Schedules for Clinical Assessment in Neuropsychiatry (SCAN 2.1) (n = 2,285). 315 participants with bipolar disorder were recruited and followed up for an average of 2.5 years. Unipolar mania was defined when illness episodes consisted of at least two manic relapses. 240 cases had sufficient data to ascertain course of disorder.

Results
41.7% (100 of 240 cases) of participants had unipolar mania. Unipolar mania was associated with less suicidal ideation (0% vs. 26.4%, p < 0.001), less suicidal thoughts (occasionally/often: 1%/3% vs. 19.6%/21%, p < 0.001), and less history of suicide attempt (2% vs. 11.6%, p = 0.01). The participants with unipolar mania tended to have better social functioning (OR = 2.05, p = 0.07) and less alcohol use (20.8% vs. 31.4%, p = 0.07). The study was partly based on retrospective data liable to recall bias. Some cases defined as unipolar mania in our study may later develop depression.

Conclusion
Previous cross-sectional studies finding high proportions of unipolar mania in low-income countries appear supported. Unipolar mania trended towards better social functioning and was associated with lower suicidality. Future unipolar mania specifications could inform treatment and prognostic estimates of bipolar disorder.
A preliminary analysis of replicating the biomechanics of helmet therapy for sagittal craniosynostosis
Authors: Cross Connor , Delye Hans , Khonsari Roman H. , Moazen Mehran 
Published: December 2022

Abstract
Purpose
The aim of this study was to investigate the biomechanics of endoscopically assisted strip craniectomy treatment for the management of sagittal craniosynostosis while undergoing three different durations of postoperative helmet therapy using a computational approach.

Methods
A previously developed 3D model of a 4-month-old sagittal craniosynostosis patient was used. The strip craniectomy incisions were replicated across the segmented parietal bones. Areas across the calvarial were selected and constrained to represent the helmet placement after surgery. Skull growth was modelled and three variations of helmet therapy were investigated, where the timings of helmet removal alternated between 2, 5, and 8 months after surgery.

Results
The predicted outcomes suggest that the prolonging of helmet placement has perhaps a beneficial impact on the postoperative long-term morphology of the skull. No considerable difference was found on the pattern of contact pressure at the interface of growing intracranial volume and the skull between the considered helmeting durations.

Conclusion
Although the validation of these simulations could not be performed, these simulations showed that the duration of helmet therapy after endoscopically assisted strip craniectomy influenced the cephalic index at 36 months. Further studies require to validate these preliminary findings yet this study can lay the foundations for further studies to advance our fundamental understanding of mechanics of helmet therapy.