bluuebunny/crossref_metadata_2025_split huggingface dataset:
Efficient and Stable CsPbI3 Inorganic Perovskite Photovoltaics Enabled by Crystal Secondary Growth
Authors: Wang Xingtao , Wang Yong , Chen Yuetian , Liu Xiaomin , Zhao Yixin 
Published: September 2021

AbstractDefect‐triggered phase degradation is generally considered as the main issue that causes phase instability and limited device performance for CsPbI3 inorganic perovskites. Here, a defect compensation in CsPbI3 perovskite through crystal secondary growth of inorganic perovskites is demonstrated, and highly efficient inorganic photovoltaics are realized. This secondary growth is achieved by a solid‐state reaction between a bromine salt and defective CsPbI3 perovskite. Upon solid‐state reaction, the Br− ions can diffuse over the entire CsPbI3 perovskite layer to heal the undercoordinated Pb2+ and conduct certain solid‐state I/Br ion exchange reaction, while the organic cations can potentially heal the Cs+ cation vacancies through coupling with [PbI6]4− octahedra. The carrier dynamics confirm that this crystal secondary growth can realize defect compensation in CsPbI3. The as‐achieved defect‐compensated CsPbI3 not only improves the charge dynamics but also enhances the photoactive phase stability. Finally, the CsPbI3‐based solar cell delivers 20.04% efficiency with excellent operational stability. Overall, this work proposes a novel concept of defect compensation in inorganic perovskites through crystal secondary growth induced by solid‐state reaction that is promising for various optoelectronic applications.
Ultrafast Interlayer Charge Separation, Enhanced Visible‐Light Absorption, and Tunable Overpotential in Twisted Graphitic Carbon Nitride Bilayers for Water Splitting
Authors: Zhang Xirui , Wu Tong , Yu Chao , Lu Ruifeng 
Published: September 2021

AbstractMoiré pattern superlattice formed by 2D van der Waals layered structures have attracted great attention for diverse applications. In experiments, the enhancement of catalytic performance in twisted bilayer systems is reported while its mechanism remains unclear. From high‐accuracy first‐principles and time‐dependent ab initio nonadiabatic molecular dynamics calculations, ultrafast interlayer charge transfer within 120 fs, excellent charge separation, improved visible‐light absorption, and satisfactory overpotentials for the hydrogen evolution and oxygen evolution reactions in twisted graphitic carbon nitride (g‐C3N4) bilayers are found, which are beneficial to photocatalytic, photo‐electrocatalytic, or electrocatalytic water splitting. This work provides insightful guidance to advanced nanocatalysis based on twisted layered materials.
The Cross‐Linking Mechanism and Applications of Catechol–Metal Polymer Materials
Authors: Yan Guihua , Chen Gaofeng , Peng Zhiqing , Shen Zhiliang , Tang Xing , Sun Yong , Zeng Xianhai , Lin Lu 
Published: September 2021

AbstractCatechol plays an important role in many systems by interacting with organic (e.g., amino acids) and inorganic (e.g., metal ions, metal oxides) compounds. Catechol cross‐linked polymer networks exhibit significant mechanical strength, good adhesiveness, and life‐like characteristics. Recently, catechol–metal coordination materials have aroused increasing interest in multifunctional applications. Numerous influential studies have demonstrated that the type of metal ions and the structure of phenolic (such as natural phenolic (e.g., tannic acid, gallic acid, and lignin) or synthetic catechol‐containing polymers) play important roles in the formation of catechol–metal coordination complexes. Although catechol–metal‐based materials have been successfully prepared, the cross‐linking chemistry between catechol and metal ions is still an important topic. To achieve catechol–metal‐based materials with controllable and superior performance like living organisms, an in‐depth understanding of the cross‐linking mechanism is crucial. This review summarizes some studies on the coordination of catechol–metal‐based materials, as well as the chemical mechanism behind the cross‐linking of metal ions and catechol‐containing molecules. The pathways and parameters that can affect the cross‐linking are also discussed. Their advanced applications in the energy strategy, environmental filtration, biomedical, mechanical, adhesive, and some emerging fields, together with the current trends are also explored.
Enhancement of Mobility and Modulation of Carrier Concentration in Graphene Field‐Effect Transistors via Molecular Doping
Authors: Xu Lei , Ni I‐Chih , Chao Yi‐Ping , Jiang Tian‐Jing , Chen Mei‐Hsin , Wu Chih‐I 
Published: September 2021

AbstractThis study demonstrates a molecular doping method by physical vapor molecule adsorption using several functional group compounds. Among these dopants, the amine groups include o‐phenylene diamine (OPD), diethylenetriamine (DETA), and tetraethylenepentamine (TEPA); the hydroxyl groups include phenol, catechol, and tetraglycol. A positive correlation between the doping level and the number of functional groups is confirmed in this study. Additionally, it is found that the spatial structure of the dopant molecule is another determinant factor affecting the doping degree and mobility. Thus, the planar dopants with an aromatic ring can be easily rearranged to maximize the interaction with graphene, resulting in a stronger p‐doping effect. The work function of graphene is efficiently tuned from 4.3 to 3.83 eV for TEPA‐doped graphene and to 4.73 eV for catechol‐doped graphene. Molecules with alkyl chains (DETA and tetraglycol) act as compensators that partially neutralize the randomly charged impurity centers in the substrate, increasing the graphene electron mobility from 3068 to 9700 cm2 V–1 s–1 and the hole mobility from 3161 to 3650 cm2 V–1 s–1 compared with that of pristine graphene.
CsPbBr3 Nanocrystal Induced Bilateral Interface Modification for Efficient Planar Perovskite Solar Cells
Authors: Zhang Jianjun , Wang Linxi , Jiang Chenhui , Cheng Bei , Chen Tao , Yu Jiaguo 
Published: September 2021

AbstractOrganic‐inorganic halide perovskite solar cells (PSCs) have drawn tremendous attention owing to their remarkable photovoltaic performance and simple preparation process. However, conventional wet‐chemical synthesis methods inevitably create defects both in the bulk and at the interfaces of perovskites, leading to recombination of charge carriers and reduced stability. Herein, a bilateral interface modification to perovskites by doping room‐temperature synthesized CsPbBr3 nanocrystals (CN) is reported. The ultrafast transient absorption measurement reveals that CN effectively suppresses the defect at the SnO2/perovskite interface and boosts the interfacial electron transport. Meanwhile, the in situ Kelvin probe force microscopy and contact potential difference characterizations verify that the CN within the upper part of the perovskites enhances the built‐in electric field, facilitating oriented migration of the carriers within the perovskite. Combining the superiorities of CN modifiers on both sides, the bilaterally modified CH3NH3PbI3‐based planar PSCs exhibit optimal power conversion efficiency exceeding 20% and improved device stability.
Significance of intra/post‐operative prognostic scoring system in hepatectomy for colorectal liver metastases
Authors: Furukawa Kenei , Onda Shinji , Yanagaki Mitsuru , Taniai Tomohiko , Hamura Ryoga , Haruki Koichiro , Shirai Yoshihiro , Tsunematsu Masashi , Sakamoto Taro , Ikegami Toru 
Published: September 2021

AbstractAimThe prognostic impact of postoperative systemic inflammatory response using an intra/post‐operative prognostic scoring system in patients with colorectal liver metastases (CRLM) after hepatic resection had never been investigated previously.MethodsIn total, 149 patients who underwent hepatic resection for CRLM were analyzed retrospectively. Intra/post‐operative prognostic scoring was performed using the postoperative modified Glasgow Prognostic Score (mGPS) at the first visit, after discharge, or a month after surgery during hospitalization. We investigated the association between clinicopathologic variables and disease‐free survival or overall survival by univariate and multivariate analyses.ResultsThe median evaluation period of postoperative mGPS was 30 (26‐36) days after hepatectomy. Seventy‐one patients (48%) were classified as postoperative day 30 mGPS 1 or 2. In multivariate analysis, an extrahepatic lesion (P = .02), multiple tumors (P = .05), and postoperative day 30 mGPS 1 or 2 (P < .01) were independent and significant predictors of disease‐free survival. Moreover, extrahepatic lesion (P = .04), and postoperative day 30 mGPS 1 or 2 (P = .02) were independent and significant predictors for overall survival. Patients with postoperative day 30 mGPS 1 or 2 had significantly more advanced tumors, more invasive surgery, and more chances of infectious postoperative complications than those with postoperative day 30 mGPS 0.ConclusionPostoperative systemic inflammatory response, as evidenced by intra/post‐operative prognostic scoring system using postoperative day 30 mGPS, was a strong predictor for outcomes in patients who underwent liver resection for CRLM.
DNA binding, cleavage, docking, biological and kinetic studies of Cr(III), Fe(III), Co(II) and Cu(II) complexes with ortho‐vanillin Schiff base derivative
Authors: Bengi Kavitha , Maddikayala Sravanthi , Pulimamidi Saritha Reddy 
Published: September 2021

Abstract2‐((4‐Hydroxyphenylimino)methyl)‐6‐methoxyphenol ligand was synthesized by refluxing 2‐hydroxy‐3‐methoxybenzaldehyde with p‐aminophenol in 1:1 molar ratio. A series of transition metal complexes with the synthesized ligand OVAP, [Cr(OVAP)2] (1), [Fe(OVAP)2] (2), [Co(OVAP)2] (3) and [Cu(OVAP)2] (4) is reported. Characterisation of the complexes by sophisticated analytical techniques revealed the geometry around central metal ion to be octahedral for 1, 2 and 3 complexes and complex 4 with square planar geometry. Kinetic parameters of the complexes were estimated by Coats–Redfern method, and the complexes were found to be thermally stable. DNA binding affinity of these metal complexes was explored by means of fluorescence, ultraviolet (UV)–visible and viscosity studies and the studies suggested intercalative mode. The Kb values from the absorption studies are 2.98 × 105, 2.16 × 105, 4.66 × 105 and 5.46 × 105 M−1 and Ksv values from fluorescence studies are 3.79 × 104, 2.14 × 104, 4.92 × 104 and 6.47 × 104 M−1 for 1, 2, 3 and 4 complexes, respectively. Nuclease studies in the presence of H2O2 were performed using pUC19 supercoiled DNA. Docking studies were done using human DNA topoisomerase‐I (DNA topoI) receptor protein. Biological studies revealed higher activity for complexes than the ligand, and in vitro antitumour studies showed that complexes 3 and 4 possess potential inhibitory efficiency with an IC50 of 42.32 ± 0.5 and 38.12 ± 1.2 μg/ml correspondingly.
The influence of the type and size of the reactor and the influence of the heating interruption during curing on the solid composite propellant properties
Authors: Da Cunha Bruno Cesar Christo , Rocco Jose Atilio Fritz Fidel 
Published: September 2021

AbstractThe solid composite propellant is a viscoelastic material that retains the treatment received during its all‐useful life. As a result, its manufacturing conditions induce differences in its final mechanical properties. The present study aims to evaluate the influence of the type and size of the reactor and the effects of the heating interruption during curing on the final mechanical properties of the propellant. Thus, four production processes with identical propellant formulations were performed in four different reactors. One of them was vertical, while the others were horizontal reactors. The heating interruption during curing was performed in 10 samples, at different moments of the curing process and with different duration. The study determines that vertical reactors tend to produce propellants less rigid than those produced in the horizontal type. In addition, the bigger the reactor size, the less rigid the propellant becomes. Finally, the heating interruptions at the beginning of the curing process tend to be insignificant. However, when they occur in an advanced stage of the curing process, they tend to hinder the curing progress, being more significant for interruptions of medium duration.
Nintedanib in Patients With Systemic Sclerosis–Associated Interstitial Lung Disease: Subgroup Analyses by Autoantibody Status and Modified Rodnan Skin Thickness Score
Authors: Kuwana Masataka , Allanore Yannick , Denton Christopher P. , Distler Jörg H. W. , Steen Virginia , Khanna Dinesh , Matucci‐Cerinic Marco , Mayes Maureen D. , Volkmann Elizabeth R. , Miede Corinna , Gahlemann Martina , Quaresma Manuel , Alves Margarida , Distler Oliver 
Published: September 2021

ObjectiveUsing data from the SENSCIS trial, these analyses were undertaken to assess the effects of nintedanib versus placebo in subgroups of patients with systemic sclerosis–associated interstitial lung disease (SSc‐ILD), based on characteristics previously identified as being associated with the progression of SSc‐ILD.MethodsPatients with SSc‐ILD were randomized to receive either nintedanib or placebo, stratified by anti–topoisomerase I antibody (ATA) status. We assessed the rate of decline in forced vital capacity (FVC) (expressed in ml/year) over 52 weeks in subgroups based on baseline ATA status, modified Rodnan skin thickness score (MRSS) (<18 versus ≥18), and SSc subtype (limited cutaneous SSc [lcSSc] versus diffuse cutaneous SSc [dcSSc]).ResultsAt baseline, 60.8% of 576 patients who received treatment with either nintedanib or placebo were positive for ATA, 51.9% had dcSSc, and 77.5% of 574 patients with MRSS data available had an MRSS of <18. The effect of nintedanib versus placebo on reducing the rate of decline in FVC (ml/year) was numerically more pronounced in ATA‐negative patients compared to ATA‐positive patients (adjusted difference in the rate of FVC decline, 57.2 ml/year [95% confidence interval (95% CI) –3.5, 118.0] versus 29.9 ml/year [95% CI –19.1, 78.8]), in patients with a baseline MRSS ≥18 compared to those with a baseline MRSS of <18 (adjusted difference in the rate of FVC decline, 88.7 ml/year [95% CI 7.7, 169.8] versus 26.4 ml/year [95% CI –16.8, 69.6]), and in patients with dcSSc compared to those with lcSSc (adjusted difference in the rate of FVC decline, 56.6 ml/year [95% CI 3.2, 110.0] versus 25.3 ml/year [95% CI –28.9, 79.6]). However, all exploratory interaction P values were nonsignificant (all P > 0.05), indicating that there was no heterogeneity in the effect of nintedanib versus placebo between these subgroups of patients.ConclusionIn patients with SSc‐ILD, reduction in the annual rate of decline in FVC among patients receiving nintedanib compared to those receiving placebo was not found to be heterogenous across subgroups based on ATA status, MRSS, or SSc subtype.
Astrophysical parameters and dynamical evolution of open clusters: NGC 2587, Collinder 268 and Melotte 72, and Pismis 7
Authors: Çakmak Hikmet , Güneş Orhan , Karataş Yüksel , Bonatto Charles 
Published: September 2021

AbstractWe determined astrophysical and dynamical parameters of the open clusters (OCs) NGC 2587, Collinder 268 (Col 268), Melotte 72 (Mel 72), and Pismis 7 from Gaia DR2 photometric/astrometric data and a new technique, fitCMD. fitCMD provides (Z, Age(Gyr)) as (0.025, 0.45) for NGC 2587, (0.0025, 0.5) for Col 268, (0.011, 1.25) for Mel 72, and (0.008, 1.00) for Pismis 7, respectively. As compared to Gaia DR2 distances, the obtained photometric distances from fitCMD provide somewhat close distances. For NGC 2587 and Mel 72, both distances are in good concordance. Except for NGC 2587, the ages of the remaining OCs are higher than their relaxation times, which suggests that they are dynamically relaxed. NGC 2587 did not undergo dynamical evolution. Mel 72 and Pismis 7 with relatively flat MF slopes indicate signs of a somewhat advanced dynamical evolution, in the sense that they appear to have lost a significant fraction of their low‐mass stars to the field. Pismis 7's negative/flat mass function slope indicates that its high mass stars slightly outnumber its low mass ones. Given its mild dynamical evolution, the high mass stars move toward the central region, while low‐mass stars are continually being lost to the field. Col 268 presents small dimensions, which suggest a primordial origin. The outer parts of Mel 72 and Pismis 7—with large cluster radii expand with time, while Mel 72's core contracts because of dynamical relaxation.
Work and well‐being: Vocational activity trajectories in young adults with autism spectrum disorder
Authors: Clarke Elaine B. , Sterrett Kyle , Lord Catherine 
Published: September 2021

AbstractYoung adults with autism spectrum disorder (ASD) experience limited social connectedness, difficulty living independently, and other poor outcomes at high rates. Vocational activities, including employment and postsecondary education, are associated with increased positive outcomes and subjective well‐being in typical adults. This study identified vocational activity trajectory groups in adults with ASD, examined change in these trajectories from ages 18 to 28, and compared levels of parent‐ and self‐report subjective well‐being across trajectory groups. One hundred fifty‐one adults with ASD were drawn from an ongoing longitudinal study. Data on psychosocial outcomes and vocational activities were compiled from parent‐report demographic forms. Vocational activities were scored using the vocational index (VDI). There was no significant effect of age on the slope of vocational trajectories (p = 0.787). Participants in the Independent Activities group had significantly higher parent‐report happiness factor scores than participants in the No Activities group (F [3, 107] = 3.56, p = 0.017) and significantly higher self‐report happiness factor scores than participants in the Volunteer Activities group (F [2, 35] = 6.46, p = 0.004). The Independent Activities group was also significantly more likely to have at least one social contact (X2 [3, 118] = 10.54, p = 0.014), however, there was no difference in trajectories groups in the likelihood of living independently (X2 [3, 120] = 1.71, p = 0.634). The results of this study indicate vocational activities in young adults with ASD are stable across time. In the current sample, participation in independent vocational activities was associated with increased levels of subjective well‐being.
Design and implementation of virtual laboratory for a microgrid with renewable energy sources
Authors: Guo Liping , Vengalil Madhav , Abdul Nauman Moiz Mohammed , Wang Kezhou 
Published: September 2021

AbstractGrowing demand for energy consumption worldwide has led to an increase in carbon emissions, which have significant effects on climate change. There is an urgent need for clean and renewable energy sources. However, most renewable energy sources, such as solar and wind, have very high initial costs, especially when used as a principal source. Distributed power generation using solar and wind power provides an effective solution to reduce the dependency on conventional power generation and to increase the reliability and quality of power systems. A mixture of distributed energy generation systems and loads can then be connected to form a microgrid. Virtual and remote laboratories are becoming widely accepted to conduct experiments in higher education. A virtual laboratory is especially suitable for the renewable energy‐based microgrid to overcome cost, space, and time restrictions. In this paper, the design and implementation of a web‐based virtual laboratory for a microgrid with renewable energy sources is presented. The virtual laboratory was developed using LabVIEW, Microsoft.Net Core, and Matlab/Simulink. Innovative courseware was developed around the virtual laboratory and used in several engineering technology courses to teach topics, including solar and wind power, dc‐dc converters, battery management, and microgrid. The assessment shows that the virtual laboratory greatly increased students awareness, interest, and knowledge in renewable energy. It provided an interactive and convenient tool for students to experiment with renewable energy and microgrid.
Learning and individual differences in skilled competency‐based performance: Using a course planning and learning tool as an indicator for student success
Authors: Gyll Sean P. , Hayes Heather 
Published: September 2021

AbstractCompetency‐based institutions eager to improve student outcomes would be wise to consider research‐based measures, such as a course planning and learning tool (CPLT), as one step in the student life cycle. Recent research has indicated which assessment practices tend to be most successful in an online competency‐based environment while hinting at which specific study characteristics are likely to lead to superior performance. Our objective was to develop a more successful and scientifically measurable process than any other method that currently exists by reducing the gap between the uncertainty and subjective randomness that currently detracts from educating students and increasing institutions' ability to engage with students in a meaningful manner. We investigated students' prior Knowledge, Confidence level in completing the course, and Experience with course content, and their relationship to the use of online Learning Resources, frequency of Formative Assessment Practice, Formative Assessment Performance, frequency of Course Mentor interactions, and Course Pace. Results showed that students' Knowledge, Confidence, and Experience have notably different impacts on study behavior and performance outcomes. Specifically, students with higher Knowledge perform well despite less studying, students with higher Confidence also perform well, but students with high Experience struggle more with the course material and performance. Implications for academic planning in an asynchronous environment are discussed.
A Self‐immolative Molecular Beacon for Amplified Nucleic Acid Detection**
Authors: Roth Magdalena , Seitz Oliver 
Published: September 2021

AbstractFluorogenic hybridization probes allow the detection of RNA and DNA sequences in homogeneous solution. Typically, one target molecule activates the fluorescence of a single probe molecule. This limits the sensitivity of nucleic acid detection. Herein, we report a self‐immolative molecular beacon (iMB) that escapes the one‐target/one‐probe paradigm. The iMB probe includes a photoreductively cleavable N‐alkyl‐picolinium (NAP) linkage within the loop region. A fluorophore at the 5’‐end serves, on the one hand, as a reporter group and, on the other hand, as a photosensitizer of a NAP‐linker cleavage reaction. In the absence of target, the iMB adopts a hairpin shape. Quencher groups prevent photo‐induced cleavage. The iMB opens upon hybridization with a target, and both fluorescent emission as well as photo‐reductive cleavage of the NAP linker can occur. In contrast to previous chemical amplification reactions, iMBs are unimolecular probes that undergo cleavage leading to products that have lower target affinity than the probes before reaction. Aided by catalysis, the method allowed the detection of 5 pm RNA target within 100 min.