bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chlorophyll‐Based Organic Heterojunction on Ti3C2Tx MXene Nanosheets for Efficient Hydrogen Production
Authors: Li Yuanlin , Sun Yuliang , Zheng Tianfang , Dall'Agnese Yohan , Dall'Agnese Chunxiang , Meng Xing , Sasaki Shin‐ichi , Tamiaki Hitoshi , Wang Xiao‐Feng 
Published: January 2021

AbstractThe Z‐scheme process is a photoinduced electron‐transfer pathway in natural oxygenic photosynthesis involving electron transport from photosystem II (PSII) to photosystem I (PSI). Inspired by the interesting Z‐scheme process, herein a photocatalytic hydrogen evolution reaction (HER) employing chlorophyll (Chl) derivatives, Chl‐1 and Chl‐2, on the surface of Ti3C2Tx MXene with two‐dimensional accordion‐like morphology, forming Chl‐1@Chl‐2@Ti3C2Tx composite, is demonstrated. Due to the frontier molecular orbital energy alignments of Chl‐1 and Chl‐2, sublayer Chl‐1 is a simulation of PSI, whereas upper layer Chl‐2 is equivalent to PSII, and the resultant electron transport can take place from Chl‐2 to Chl‐1. Under the illumination of visible light (>420 nm), the HER performance of Chl‐1@Chl‐2@Ti3C2Tx photocatalyst was found to be as high as 143 μmol h−1 gcat−1, which was substantially higher than that of photocatalysts of either Chl‐1@Ti3C2Tx (20 μmol h−1 g−1) or Chl‐2@Ti3C2Tx (15 μmol h−1 g−1).
Zirconium Catalyzed Hydroaminoalkylation for the Synthesis of α‐Arylated Amines and N‐Heterocycles
Authors: Koperniku Ana , Schafer Laurel L. 
Published: January 2021

AbstractThe zirconium catalyzed hydroaminoalkylation of alkenes with N‐aryl‐ and sterically demanding N‐alkyl‐α‐arylated secondary amines by using commercially available Zr(NMe2)4 is reported. N‐phenyl‐ and N‐isopropylbenzylamine are used as amine substrates to establish the alkene substrate scope. Exclusively linear products are obtained in the presence of bulky vinylsilanes. Challenging α‐heteroarylated amines and functionalized alkene substrates are compatible with this easy to use catalyst, affording a new disconnection strategy for the atom‐ and step‐economic preparation of selectively substituted saturated α‐arylated heterocycles.
Tuning Tetrazole Photochemistry for Protein Ligation and Molecular Imaging
Authors: Fay Rachael , Holland Jason P. 
Published: January 2021

AbstractPhotochemistry provides a wide range of alternative reagents that hold potential for use in bimolecular functionalisation of proteins. Here, we report the synthesis and characterisation of metal ion binding chelates derivatised with disubstituted tetrazoles for the photoradiochemical labelling of monoclonal antibodies (mAbs). The photophysical properties of tetrazoles featuring extended aromatic systems and auxochromic substituents to tune excitation toward longer wavelengths (365 and 395 nm) were studied. Two photoactivatable chelates based on desferrioxamine B (DFO) and the aza‐macrocycle NODAGA were functionalised with a tetrazole and developed for protein labelling with 89Zr, 64Cu and 68Ga radionuclides. DFO‐tetrazole (1) was assessed by direct conjugation to formulated trastuzumab and subsequent radiolabelling with 89Zr. Radiochemical studies and cellular‐based binding assays demonstrated that the radiotracer remained stable in vitro retained high immunoreactivity. Positron emission tomography (PET) imaging and biodistribution studies were used to measure the tumour specific uptake and pharmacokinetic profile in mice bearing SK‐OV‐3 xenografts. Experiments demonstrate that tetrazole‐based photochemistry is a viable approach for the light‐induced synthesis of PET radiotracers.
Hydrothermal Dissolution of Technical Grade Vitreous Silica in NaOH Solutions to Liquid Water Glasses with Higher SiO2:Na2O Ratios
Authors: Pfeiffer Thomas , Enke Dirk , Roggendorf Hans 
Published: January 2021

AbstractTechnical grade vitreous silica was dissolved hydrothermally in NaOH lyes. Liquid sodium water glasses with silica concentrations of up to 26.4 wt % and molar SiO2:Na2O ratios of up to 3.5 were obtained. The dissolution behavior showed two temperature regimes: up to 130 °C the SiO2 content approached a final solubility limit controlled by cristobalite crystallization. Above 130 °C, crystallization of low quartz restricted solubility. The dissolution kinetics were governed by surface area reduction and saturation control according to the Noyce‐Whitney law.
Calibration of solids concentration optical fibre probes with solids‐polymer blocks
Authors: Shabanian Jaber , Mokhtari Mojtaba , Chaouki Jamal 
Published: January 2021

AbstractOwing to the determinant effects of the local distribution of solids concentration on transport phenomena, particularly in gas‐solids flows in such processing units as gas‐solid fluidized beds and pneumatic conveying lines, its accurate measurement has received considerable attention. Despite the widespread applications of optical fibre probes for the measurement of local solids concentration, these instruments may create measurement uncertainties due to their structural designs and challenges in their accurate calibrations. Several calibration methods have been proposed in the literature, while they need to be further improved. In the present study, we calibrated in‐house, fabricated, solids concentration mixed parallel optical fibre probes by two sets of solids‐polymer blocks covering solids volume fractions in the range of 0‐0.30. The uniform blocks were produced by a twin‐screw extruder and an injection moulding machine. FCC particles, 86 μm in diameter, formed the dispersed solids in the blocks, while poly styrene and poly methyl methacrylate were separately acting as the transparent medium. They helped us investigate the effects of the refractive index of the medium and the probe tip design on the calibration curve. The blind distance (zone) in front of the adopted probes was determined, at about 0.70 mm, upon measuring their reflective curves. Two glass windows with 1.00 and 1.60 mm thicknesses were separately installed at the tip of a probe to study their effects on the calibration curve. Experimental results indicated that in the absence of a glass window, the probes' voltage readings varied nonlinearly with solids concentration, the voltage readings were higher for blocks with a higher refractive index of the transparent medium, while the normalized calibration curves were similar for both sets of solids‐polymer blocks. In addition, the extent of the uniform distribution of illuminating and reflecting fibre strands at the tip of a mixed parallel optical fibre probe can change the degree of nonlinearity of its calibration curve. The application of glass windows thicker than the blind distance decreased the degree of nonlinearity of the calibration curve, yet did not completely eliminate it.
Preparation of Cu(І) Decorated 2D Black Phosphorus Nanosheets for Adsorption Desulfurization from Model Fuel
Authors: Wang Jie , Ma Hongqin , Li Jia , Luo Xinyue , Yu Luqi 
Published: January 2021

AbstractIn this study, Cu(І) decorated two‐dimensional black phosphorus nanosheets (BPNSs) adsorbents were prepared by a ball‐milling method, and their adsorption‐desorption performances were tested by batch adsorption experiments. The results showed that Cu(ІI) can be completely reduced to Cu(І) without adding any additional reducing agents during the ball‐milling process, owing to the ability of black phosphorus to provide electrons to Cu(ІI). Moreover, the produced Cu(І) species were firmly anchored on BPNSs surface through chemical bonds formed between Cu and P atoms, effectively preventing them from aggregating. As the active sites on BPNSs surface, Cu(I) species can adsorb dibenzothiophene or benzothiophene from fuel by forming π‐complexation bonds with them. The maximum adsorption capacity of the adsorbent for dibenzothiophene and benzothiophene were 13.16 and 18.02 mg S/g, respectively. Besides, the adsorption desulfurization activity can be recovered well by adopting simple thermal treatment.
Axi‐symmetrization near Point Vortex Solutions for the 2D Euler Equation
Authors: Ionescu Alexandru , Jia Hao 
Published: January 2021

AbstractWe prove asymptotic stability of point vortex solutions to the full Euler equation in two dimensions. More precisely, we show that a small, Gevrey smooth, and compactly supported perturbation of a point vortex leads to a global solution of the Euler equation in 2D, which converges weakly as t → ∞ to a radial profile with respect to the vortex. The position of the point vortex, which is time dependent, stabilizes rapidly and becomes the center of the final, radial profile. The mechanism that leads to stabilization is mixing and inviscid damping. © 2021 Wiley Periodicals LLC.
Pharmacokinetics and Safety of PTC596, a Novel Tubulin‐Binding Agent, in Subjects With Advanced Solid Tumors
Authors: Shapiro Geoffrey I. , O'Mara Edward , Laskin Oscar L. , Gao Lan , Baird John D. , Spiegel Robert J. , Kaushik Diksha , Weetall Marla , Colacino Joseph , O'Keefe Kylie , Branstrom Arthur , Goodwin Elizabeth , Infante Jeffrey , Bedard Philippe L. , Kong Ronald 
Published: January 2021

AbstractPTC596 is a novel, orally bioavailable, small‐molecule tubulin‐binding agent that reduces B‐cell–specific Moloney murine leukemia virus insertion site 1 activity and is being developed for the treatment of solid tumors. A phase 1, open‐label, multiple‐ascending‐dose study was conducted to evaluate the pharmacokinetics and safety of the drug in subjects with advanced solid tumors. PTC596 was administered orally biweekly based on body weight. Dose escalation followed a modified 3 + 3 scheme using doses of 0.65, 1.3, 2.6, 5.2, 7.0, and 10.4 mg/kg. Following oral administration, PTC596 was rapidly absorbed, and between 0.65 and 7.0 mg/kg reached a maximum plasma concentration 2 to 4 hours after dosing. Area under the plasma concentration–time curve increased proportionally with body weight–adjusted doses. Maximum plasma concentration increased with dose, although the increase was less than dose proportional at dose levels >2.6 mg/kg. No accumulation occurred after multiple administrations up to 7.0 mg/kg. PTC596 had a terminal half‐life ranging 12 to 15 hours at all doses except for the highest dose of 10.4 mg/kg, where the half‐life was approximately 20 hours. Overall, PTC596 was well tolerated. The most frequently reported PTC596‐related treatment‐emergent adverse events were mild to moderate gastrointestinal symptoms, including diarrhea (54.8%), nausea (45.2%), vomiting (35.5%), and fatigue (35.5%). Only 1 patient treated with 10.4 mg/kg experienced dose‐limiting toxicity of neutropenia and thrombocytopenia, both of which were reversible. Stable disease as best overall response was observed among 7 patients, with 2 patients receiving the study drug up to 16 weeks. These results support the further development of PTC596 for the treatment of solid tumors.
Do Secondary Electrostatic Interactions Influence Multiple Dihydrogen Bonds? AA−DD Array on an Amine‐Borane Aza‐Coronand: Theoretical Studies and Synthesis
Authors: Bella Giovanni , Santoro Antonio , Nicolò Francesco , Bruno Giuseppe , Cordaro Massimiliano 
Published: January 2021

AbstractHydrogen bond plays a key role in a wide range of inorganic, organic, as well as biological systems. The understanding on how the chemical environment can affect this kind of interaction is crucial to predict its binding strength and consequently the robustness and the dynamic properties of many supramolecular systems. In this paper a new donor‐acceptor complex was synthesized and characterized by SCXRD, showing for the first time in an organic system an AA−DD pattern of a particular hydrogen interaction, calleddihydrogen bond. Over 250 functionals were computationally evaluated to select the best method to reproduce the binding interaction geometry of this new pattern. Moreover, a new vector force model was used to split the contribution of primary and secondary electrostatic interactions (SEIs), in order to evaluate how the latter one can modify the binding strength of this unusual hydrogen‐hydrogen interaction.
Pharmacological Interventions for the Prevention of Fetal Growth Restriction: A Systematic Review and Network Meta‐Analysis
Authors: Bettiol Alessandra , Avagliano Laura , Lombardi Niccolò , Crescioli Giada , Emmi Giacomo , Urban Maria Letizia , Virgili Gianni , Ravaldi Claudia , Vannacci Alfredo 
Published: January 2021

The prevention of fetal growth restriction (FGR) is challenging in clinical practice. To date, no meta‐analysis summarized evidence on the relative benefits and harms of pharmacological interventions for FGR prevention. We performed a systematic review and network meta‐analysis (NetMA), searching PubMed, Embase, Cochrane Library, and ClinicalTrials.gov from inception until November 2019. We included clinical trials and observational studies on singleton gestating women evaluating antiplatelet, anticoagulant, or other treatments, compared between each other or with controls (placebo or no treatment), and considering the pregnancy outcome FGR (primary outcome of the NetMA). Secondary efficacy outcomes included preterm birth, placental abruption, and fetal or neonatal death. Safety outcomes included bleeding and thrombocytopenia. Network meta‐analyses using a frequentist framework were conducted to derive odds ratios (ORs) and 95% confidence intervals (CIs). Of 18,780 citations, we included 30 studies on 4,326 patients. Low molecular weight heparin (LMWH), alone or associated with low‐dose aspirin (LDA), appeared more efficacious than controls in preventing FGR (OR 2.00, 95% CI 1.27–3.16 and OR 2.67, 95% CI 1.21–5.89 for controls vs. LMWH and LDA + LMWH, respectively). No difference between active treatments emerged in terms of FGR prevention, but estimates for treatments other than LMWH +/‐ LDA were imprecise. Only the confidence in the evidence regarding LMWH vs. controls was judged as moderate, according to the Confidence in Network Meta‐Analysis framework. No treatment was associated with an increased risk of bleeding, although estimates were precise enough only for LMWH. These results should inform clinicians on the benefits of active pharmacological prophylaxis for FGR prevention.
Hyperspectral inversion of maize biomass coupled with plant height data
Authors: Li Changchun , Cui Yingqi , Ma Chunyan , Niu Qinlin , Li Jingbo 
Published: January 2021

AbstractBiomass is an important indicator in estimating the growth and yield of crops. Mastering the growth state of crops by evaluating and monitoring biomass is crucial. Correlation analysis was used to identify hyperspectral sensitive bands with the best correlation with biomass, and a hyperspectral vegetation index was constructed. Plant height data was coupled with hyperspectral reflectance and vegetation index data, and a biomass inversion model was constructed using partial least squares (PLS), support vector machine (SVM), and random forest (RF) regression analysis. The R2, root mean square error (RMSE), and normalized root mean square error (NRMSE) were calculated to verify the accuracy of the model. Plant height coupled with hyperspectral reflectance and vegetation index data, R2, RMSE, and NRMSE of the biomass model establishment and validation, compared with the hyperspectral data alone, improved model accuracy of the three algorithms for maize (Zea mays L.) biomass inversion coupled with plant height data with the relative improvement in accuracy of 13.58, 9.6, and 1.05%, respectively. Additionally, the model becomes more stable, overcoming the spectral saturation of canopy to a certain extent. It provides supporting information for accurate farmland planning, growth monitoring, and yield estimation.
Green supplier integration and environmental innovation in Chinese firms: The joint effect of governance mechanism and trust
Authors: Zhao Yunhui , Zhao Chuanli , Guo Yi , Sheng Hongyan , Feng Taiwen 
Published: January 2021

AbstractDespite the importance of green supplier integration, how different governance mechanisms affect its influence on environmental innovation is still debated. This article explores the moderating effect of governance mechanisms (i.e., relational norms and contractual control) on the effects of green supplier integration and two dimensions of environmental innovation (i.e., environmental incremental and radical innovation), as well as the moderating roles of trust on the above moderating effects. We examine hypothesized relationships using two‐waved survey data from 206 Chinese manufacturing enterprises. Our results suggest that contractual control positively moderates the impact of green supplier integration on environmental incremental innovation, whereas relational norms negatively moderate this impact. However, both relational norms and contractual control fail to moderate the impact of green supplier integration and environmental radical innovation. Further, trust in supplier strengthens the negative moderating effect of relational norms on the impact of green supplier integration on environmental radical innovation, which reveals the “dark side” of trust in supplier.
How do firms achieve corporate social performance? An integrated perspective
Authors: Ben‐Amar Walid , Francoeur Claude , Marsat Sylvain , Sijamic Wahid Aida 
Published: January 2021

AbstractThis study provides an integrated view of the combined direct and indirect effects of the main drivers of CSR performance, at country, firm and CEO levels respectively. We extend prior literature by showing that the institutional context, firm CSR governance practices, and CSR‐related compensation incentives have impacts of different magnitudes on CSR performance, as well as significant combined effects. Using an international sample of 1272 observations over 20 countries, we document significant indirect cascading effects of the institutional setting and firm‐specific governance practices on CSR performance. From a managerial perspective, we find that firms operating in countries that are less oriented towards satisfying the needs of the stakeholders still have the ability to counterbalance this institutional impact and achieve relatively high CSR performance by implementing sound firm‐level CSR governance practices and incentives.
Modelling the impact of corporate reputation on customers' behaviour
Authors: Burlea‐Schiopoiu Adriana , Balan Dragos Alexandru 
Published: January 2021

AbstractThe research aims to develop and to test a conceptual model to measure corporate reputation and assesses its impact on altering customers' normal behaviour. The findings add to the existing literature by empirically demonstrating that corporate reputation should be interpreted as a reflective construct that can be measured by the means of 25 items, grouped in seven major factors. The analysis validated a medium‐to‐high impact of reputation on customers' loyalty, word‐of‐mouth, and adoption of new product or service introductions, while the desire to pay a premium price was rejected. This study explains why executive managers should embrace corporate reputation as an imperative for the company's efforts to influence customers' behaviours and ultimately to outpace competitors. It also provides the executive management with an actionable tool to map out the corporate issues that need to be addressed and proved that companies can shorten the path to purchase by means of reputation, without a huge cost.
Hypercrosslinked Polymers as a Photocatalytic Platform for Visible‐Light‐Driven CO2Photoreduction Using H2O
Authors: Schukraft Giulia E. M. , Woodward Robert T. , Kumar Santosh , Sachs Michael , Eslava Salvador , Petit Camille 
Published: January 2021

AbstractThe design of robust, high‐performance photocatalysts is key for the success of solar fuel production by CO2conversion. In this study, hypercrosslinked polymer (HCP) photocatalysts have been developed for the selective reduction of CO2to CO, combining excellent CO2sorption capacities, good general stabilities, and low production costs. HCPs are active photocatalysts in the visible light range, significantly outperforming the benchmark material, TiO2P25, using only sacrificial H2O. It is hypothesized that superior H2O adsorption capacities facilitate access to photoactive sites, improving photocatalytic conversion rates when compared to sacrificial H2. These polymers are an intriguing set of organic photocatalysts, displaying no long‐range order or extended π‐conjugation. The as‐synthesized networks are the sole photocatalytic component, requiring no added cocatalyst doping or photosensitizer, representing a highly versatile and exciting platform for solar‐energy conversion.
Effects of All‐Organic Interlayer Surface Modifiers on the Efficiency and Stability of Perovskite Solar Cells
Authors: Joseph Yeow Wan Foong Japheth , Febriansyah Benny , Jyoti Singh Rana Prem , Ming Koh Teck , Jun Jie Tay Darrell , Bruno Annalisa , Mhaisalkar Subodh , Mathews Nripan 
Published: January 2021

AbstractSurface imperfections created during fabrication of halide perovskite (HP) films could induce formation of various defect sites that affect device performance and stability. In this work, all‐organic surface modifiers consisting of alkylammonium cations and alkanoate anions are introduced on top of the HP layer to passivate interfacial vacancies and improve moisture tolerance. Passivation using alkylammonium alkanoate does not induce formation of low‐dimensional perovskites species. Instead, the organic species only passivate the perovskite's surface and grain boundaries, which results in enhanced hydrophobic character of the HP films. In terms of photovoltaic application, passivation with alkylammonium alkanoate allows significant reduction in recombination losses and enhancement of open‐circuit voltage. Alongside unchanged short‐circuit current density, power conversion efficiencies of more than 18.5 % can be obtained from the treated sample. Furthermore, the unencapsulated device retains 85 % of its initial PCE upon treatment, whereas the standard 3D perovskite device loses 50 % of its original PCE when both are subjected to ambient environment over 1500 h.
Reconfigurable FIFO memory circuit for synchronous and asynchronous communication
Authors: Abdel‐hafeez Saleh , Gordon‐Ross Ann 
Published: January 2021

AbstractWe present a new FIFO (first‐in first‐out) architecture for both synchronous and asynchronous communication for high‐speed and low‐power operation. Our FIFO design is reconfigurable and scalable using a separate datapath with an 8T‐Cell SRAM and control circuits, which enables specialization for different application requirements. The datapath uses a two‐phase clock system of nonoverlapping signals such that one signal increments the address pointer, while the other signal activates the memory decoder for data reading and writing. This structure halves the critical path delay and simplifies the timing operations between the memory decoder and address pointer while maintaining robustness against process‐voltage‐temperature (PVT) variations. Our design uses two alternative control circuits to manage separate synchronous and asynchronous operations by generating nonoverlapping control signals that drive the datapath circuit. The empty‐full flag circuitry records only the state of the address pointers' rollover independent of the memory size, and, thus, improves scalability and reconfigurability. Compared to prior works, our design is 5X faster with a 2.3X lower power consumption and has a throughput of 1 Giga‐Word/s. For a 64‐bit word size with a free latency cycle. Additionally, our design functions clocklessly with the synthesizable structure for asynchronous communication that leverages Internet of Things (IoT) and Networks on Chip (NoCs) applications.