bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Electrochemical Production of Hydrogen Peroxide from Reduction of Oxygen on Mesoporous Nitrogen Containing Carbon
Authors: Mehta Shivangi , Gupta Divyani , Nagaiah Tharamani C. 
Published: December 2021

AbstractHeteroatom doped carbon materials with mesopores are active catalysts to bring about oxygen reduction reaction in alkaline media. Here, we aim to see the sights of mesoporous‐nitrogen containing carbon (MNC) prepared at three different temperatures towards selective hydrogen peroxide (H2O2) production during oxygen reduction reaction in neutral media. A high H2O2 selectivity of 85 % at 0.7 V vs. RHE is apparent with a large H2O2 production rate of 9600 μmol gcatalyst−1 h−1 and faradaic efficiency of 88.7 % for MNC‐600 in 0.1 M KHCO3 solution. The effect of electrolyte towards selectivity is also premeditated. In the end, to visualize the local H2O2 production sequential chronoamperometry in SG‐TC mode was performed using Pt‐microelectrode at applied substrate potentials.
Fabrication of a Function‐Integrated Water Oxidation Catalyst through the Electrochemical Polymerization of Ruthenium Complexes
Authors: Iwami Hikaru , Kondo Mio , Masaoka Shigeyuki 
Published: December 2021

AbstractInvited for this month's cover picture are Hikaru Iwami, Mio Kondo, and Shigeyuki Masaoka at Osaka University. The cover picture illustrates catalytic water oxidation by electrochemically deposited Ru complex polymer bearing carbazole moieties. The polymer catalyst exhibited excellent charge transporting ability, which was found to be a key for the efficient catalytic reaction. Read the full text of the Research Article at 10.1002/celc.202101363.
Data‐analysis method for material optimization by forecasting long‐term chemical stability
Authors: Schmitz Christian , Schucht Detlev , Verjans Kornelia , Krupka Frank 
Published: December 2021

AbstractThe development of material including optimization of long‐term effects often requires accelerated testing methods or calculation of future material behavior to avoid excessive project time. As controlled conditions with few parameters allow the application of laws, more complex modeling fails if the law does not cover all parameters or when several simultaneously occurring events cannot be combined to one comprehensive model. This approach describes a chemometric method accelerating the material development by forecasting the material behavior based on similar realizations under same test conditions. The capability of this method was analyzed with a synthetic data set simulating a typical application case including noise and the study for reducing the thermal yellowing of a coating. The thermal yellowing proceeds slowly over several weeks due to chemical reactions of the polymer influenced by synergistic effects of the coating ingredients. Moreover, it was shown how this forecasting method can be combined with experimental design via Gaussian process regression and Bayesian optimization. The comparison of the model based on the forecasts versus the observed values was shown drawn from the results of the start experiments. Furthermore, the suggestions for the next adaption based on forecasted values were evaluated.
Crack width verification and minimum reinforcement according to EC 2: Current model with specifications in Germany and Austria vs proposal for revision
Authors: Tue Nguyen Viet , Fehling Ekkehard , Schlicke Dirk , Krenn Christina 
Published: December 2021

AbstractLimiting crack widths to an acceptable level and determining the required minimum reinforcement are important tasks in the design of reinforced and prestressed concrete structures. Experience with different types of structures, ranging from watertight concrete structures to prestressed concrete bridges, shows that the concept currently applied in Germany and Austria is very effective and that significant changes are not necessary. The current draft for the revision of the EC2 (prEC2), however, presents a new concept for crack width verification and minimum reinforcement. In contrast to the concept currently used in Germany and Austria, this new concept is based more on the analysis and good reproduction of observations made in laboratory experiments and takes less account of the mechanical relationships of reinforced or prestressed concrete after cracking. For this purpose, numerous empirical factors are introduced which not only complicate the understanding but also the application in practice. However, an improvement in the accuracy of the crack width prediction is not achieved and the minimum reinforcement is significantly underestimated, especially for prestressed cross sections and thick members. In this article, the new concept set out in prEC2 is explained in detail. Its main weaknesses and contradictions are discussed by a comparison with the concept currently applied in Germany and Austria as well as detailed analysis of 2D FEM simulations with discrete cracks and adequate regard of the bond stress‐slip relationship at the reinforcement‐concrete interface. This should provide the basis for a factual discussion before the introduction of prEC2 into practice.
Use of dilatometer to screen refractory raw materials
Authors: Mandal Somnath , Mahapatra Manoj K. 
Published: December 2021

AbstractSudden shortage of a particular raw material due to freight disruptions, competitive market, and COVID restrictions have frequently forced the refractory industry to rapidly develop alternative formulations using available low‐cost materials. These alternative ingredients might cursorily appear to have similar total impurity content, but the presence of certain impurity combinations depending on the refractory type can produce more fluid liquid phase at high temperature, thereby drastically reducing hot strength. Undetected by the commonly used X‐ray fluorescence (XRF) analysis, the low‐cost material might differ in mineral‐phase content, whose phase transformations during firing might create excessive expansion producing warpage of the refractory along with a high porosity reducing strength and corrosion resistance. Finally, those cheap raw materials might have similar sieve analysis to that of the standard ingredient but might have much lower tapped density, which would introduce detrimental porosity into the resulting refractory. Hence, time‐consuming trials are often performed. Dilatometer studies on pressed or cast samples in a single test can identify reaction temperatures of spinel or mullite formation, which expand during firing, along with the amount of expansion and exact times at which firing needs to be done. It can also compare relative shrinkage due to liquid‐phase formation among impure raw materials like recycled grogs or low‐grade ores. Finally, dilatometric step scan is shown as a fast technique to prepare in‐house, low‐cost reactive spinel powder, which can also work for mullite.
Ferroelectrics in Photocatalysis
Authors: Liu Lizhen , Huang Hongwei 
Published: December 2021

AbstractThe rapid development of industrialization and population has brought water, air‐pollution and energy crises. Solar‐driven catalysis is expected to relieve these issues. However, limited by poor light harvesting, serious charge recombination of semiconductors, and high surface reaction barriers, the low efficiency of solar conversion is far from satisfactory for industrial needs. Ferroelectrics are considered to be promising photocatalysts to overcome these shortcomings. Herein, perovskite ferroelectrics such as BaTiO3, PbTiO3, BiFeO3 and LiNbO3, layered bismuth‐based ferroelectrics like Bi2WO6 and Bi2MoO6, and other ferroelectrics are introduced, and their crystal structure, polarity source and synthetic method are highlighted. Subsequently, research progress in ferroelectrics for photocatalysis is summarized, including pollution degradation, water splitting and CO2 reduction. Finally, the current challenges and future prospects of ferroelectric photocatalysts are provided. The purpose of this review is not only to provide a timely summary for the application of ferroelectrics in photocatalysis, but also to present deep insight and a guideline for future research work into ferroelectrics.
Catalytic conversion of aromatics in fixed‐bed over several zeolites in the liquid phase
Authors: Gonçalves Jonathan C. , Oliveira Marcelo F. T. , Ferreira Alexandre F. P. , Rodrigues Alírio E. 
Published: December 2021

AbstractXylene isomerization is an important step in the production of p‐xylene. The reaction is normally conducted in the gas phase; however, the liquid‐phase isomerization has attracted the attention of both industry and academia. Three MFI‐type, two MOR‐type, and one BEA‐type zeolites with different SiO2/Al2O3 ratios were used to study the conversion of aromatics in the liquid‐phase at 513 K. The catalysts were characterized through several techniques to assess their textural and acidic properties. The experiments consisted of 3 ml/min (5 × 10−8 m3/s) of m‐xylene fed to a fixed‐bed column at 2.1 MPa to maintain liquid‐phase conditions for 25–30 h. MFI‐type zeolites showed high selectivity towards p‐xylene and long stability, but m‐xylene conversions were below 5%. Large‐pore zeolites exhibited significantly higher conversion but faster deactivation due to secondary reactions. MOR‐type zeolite with a SiO2/Al2O3 ratio of 40 showed the best performance with a m‐xylene conversion of 45.3% with only 1.9% of secondary products.
The Survivorship Sleep Program (SSP): A synchronous, virtual cognitive behavioral therapy for insomnia pilot program among cancer survivors
Authors: Hall Daniel L. , Arditte Hall Kimberly A. , Gorman Mark J. , Comander Amy , Goldstein Michael R. , Cunningham Tony J. , Wieman Sarah , Mizrach Helen R. , Juhel Brooke C. , Li Raissa , Markowitz Alexandros , Grandner Michael , Park Elyse R. 
Published: December 2021

BackgroundFor cancer survivors, insomnia is prevalent, distressing, and persists for years if unmanaged. Cognitive behavioral therapy for insomnia (CBT‐I) is an effective treatment yet can be difficult to access and may require modification to address survivorship‐specific barriers to sleep. In this 2‐phase study, the authors adapted and assessed the feasibility, acceptability, and preliminary effects of synchronous, virtual CBT‐I adapted for cancer survivors (the Survivorship Sleep Program [SSP]).MethodsFrom April to August 2020, cancer survivors with insomnia (N = 10) were interviewed to refine SSP content and delivery. From October 2020 to March 2021, 40 survivors were recruited for a randomized controlled trial comparing 4 weekly SSP sessions with enhanced usual care (EUC) (CBT‐I referral plus a sleep hygiene handout). Feasibility and acceptability were assessed by enrollment, retention, attendance, fidelity, survey ratings, and exit interviews. Insomnia severity (secondary outcome), sleep quality, sleep diaries, and fatigue were assessed at baseline, postintervention, and at 1‐month follow‐up using linear mixed models.ResultsThe SSP included targeted content and clinician‐led, virtual delivery to enhance patient centeredness and access. Benchmarks were met for enrollment (56% enrolled/eligible), retention (SSP, 90%; EUC, 95%), attendance (100%), and fidelity (95%). Compared with EUC, the SSP resulted in large, clinically significant improvements in insomnia severity (Cohen d = 1.19) that were sustained at 1‐month follow‐up (Cohen d = 1.27). Improvements were observed for all other sleep metrics except sleep diary total sleep time and fatigue.ConclusionsSynchronous, virtually delivered CBT‐I targeted to cancer survivors is feasible, acceptable, and seems to be efficacious for reducing insomnia severity. Further testing in larger and more diverse samples is warranted.
Wireless link scheduling via parallel genetic algorithm
Authors: Saad Mohamed , El‐Moursy Ali , Alfawaz Oruba , Alnajjar Khawla , Abdallah Saeed 
Published: December 2021

AbstractWith the advent of fifth generation (5G) systems and the Internet‐of‐Things (IoT), the number of interconnected wireless devices is increasing significantly. Protocols that allow these deceives to interconnect peer‐to‐peer through wireless links are becoming of interest. The major challenge is the inevitable interference among the simultaneously activated wireless links. Given a set of wireless links, this article addresses the non‐deterministic polynomial‐time (NP) hard problem of selecting the maximum subset of links that can be simultaneously activated at their respective signal‐to‐interference‐plus‐noise‐ratio (SINR) targets. The contribution of this article is two‐fold. First, we introduce a new genetic algorithm (GA) constraint‐handling mechanism, and prove analytically that finding optimal link schedules is guaranteed. Second, we develop a novel parallelized GA to solve the problem. Through serial algorithm analysis, we utilize data decomposition as well as exploratory decomposition in order to achieve significant running time speedup, which scales well with problem size. Our numerical results for openMP parallelization illustrate 6.5 and 5.4 reduction in computation time as compared to the serial versions of the GA and hybrid genetic algorithm (HGA), respectively. Moreover, the parallelization of the GA and HGA result in a speedup of 10.4 and 5.4, respectively, using master‐slave multithreading.
A Direct NMR Method To Measure Self‐Diffusion Coefficients in Liquids by Monitoring Diffusing Molecules through One‐Dimensional Imaging
Authors: Aghelnejad Behdad , Bodenhausen Geoffrey , Pelupessy Philippe 
Published: December 2021

AbstractDiffusion processes can be followed directly by recording one‐dimensional images of a selected slice at variable intervals after selective inversion of the magnetization. The resulting diffusion coefficients of H2O and DMSO are consistent with earlier studies at different temperatures, obtained by monitoring the attenuation of NMR signals as a function of the gradient amplitude in gradient echo sequences.
Coumarin Derivative Induced 3D Organo‐Silver(I) Complex with Tandem Hydrazine Detection and 4‐Nitrophenol Catalysis
Authors: Zhang Jia‐Yuan , Hao Hui‐Ping , Zhang Yun‐Jie , Lv Yu‐Guang , Wang Xin‐Yu , Liu Hong , Li Shou‐Cong , Gao Guang‐Gang 
Published: December 2021

AbstractA new 3D organo‐silver(I) crystalline complex of [(MPC)4(CF3COO)8Ag10]n (MPC = 4‐methyl‐7‐propargyloxy coumarin) (JMSU‐Ag10) has been successfully synthesized. The crystal structure analysis shows that the 10‐core silver(I) cluster (Ag10) can be considered as the subunit of JMSU‐Ag10 with different AgAg argentophilic interactions. By the protection of organic ligands and AgAg interactions, the Ag10 subunits further compose a chain structure, and then the trifluoroacetate or the MPC ligands bridge the 1D silver(I) chains along different directions to form the 3D framework. Furthermore, JMSU‐Ag10 can be used to detect the hydrazine due to that the Ag+ ions can be reduced to Ag0 species with strong UV–vis absorption. Interestingly, the reduced JMSU‐Ag10 by hydrazine can be further used to catalyze the reduction of 4‐nitrophenol to form 4‐aminophenol. This work provides a new strategy for the design, synthesis, and the cyclic utilization of functional organo‐silver(I) crystalline materials.
Facile Production of 2,5‐Furandicarboxylic Acid via Oxidation of Industrially Sourced Crude 5‐Hydroxymethylfurfural
Authors: Zuo Xiaobin , Venkitasubramanian Padmesh , Martin Kevin J. , Subramaniam Bala 
Published: December 2021

AbstractThe oxidation of 5‐hydroxymethylfurfural (HMF) produces value‐added chemicals such as 2,5‐diformylfuran (DFF) and 2,5‐furandicarboxylic acid (FDCA). In this work, FDCA production was achieved by oxidation of crude HMF solution containing around 45 % HMF and unwanted byproducts such as 5,5′‐[oxy‐bis(methylene)]bis‐2‐furfural (HMF dimer) and polymers. At optimized reaction conditions similar to the Mid‐Century process, homogeneous oxidation of the crude HMF (up to 20 wt% in the feed) by Co/Mn/Br catalyst in acetic acid solution produced FDCA at >95 % yield. The solid FDCA product contained <4000 ppm 5‐formyl‐2‐furancarboxylic acid (FFCA). Such high yields were observed because the impurities in crude HMF were also converted to FDCA, as confirmed by the facile oxidation of HMF dimer to FDCA under reaction conditions. The successful demonstration of crude HMF as feed, obviating the need for HMF purification, suggests potential for cost‐effectively producing FDCA in existing terephthalic plants.
Applicability of the long‐term uncertainty in measurement (LTUM) method for analytical performance assessment in clinical cytometry laboratories
Authors: Dannus Louis‐Thomas , Mulliez Aurélien , Berger Marc , Bourgne Céline , Veyrat‐Masson Richard 
Published: December 2021

AbstractBackgroundThe estimation of uncertainty in measurement for quantitative analyses is an international obligation of the ISO15189 standard for laboratories. The most widespread method is the Internal Quality Control and External Quality Assessment (IQC + EQA).MethodsWe compared two methods to assess uncertainty in measurement for the quantification of the number of CD34+ stem cells and of the different lymphocyte subpopulations in blood samples: the IQC + EQA method and the Long‐Term Uncertainty in Measurement (LTUM) method.ResultsWe focused on the CD3+/CD4+ T lymphocyte subpopulation for a target value of 350 CD3+/CD4+/μl. The range in terms of uncertainty in the measurement of 350 CD3+/CD4+ cells/μl with the IQC + EQA method was [292.8; 407.2]. With the LTUM method, the uncertainty was 19.1% of the measured value. This represented a range of [283.2; 416.9].ConclusionsThe relative uncertainty calculated with the LTUM method can be adapted to any level of the measured parameter. IQC and EQA calculate the absolute uncertainty and need a clustering of values at different levels. This clustering can lead to some approximations in the uncertainty in measurement determination, particularly around the cut‐off values. Unlike previous reports, uncertainty values were higher when calculated with the LTUM than with the IQC + EQA method. However, LTUM might be more representative of the daily routine practice with patient samples.
Elevation‐related climatic factors dominate soil free‐living nematode communities and their co‐occurrence patterns on Mt. Halla, South Korea
Authors: Yu Zhi , Zou Shuqi , Li Nan , Kerfahi Dorsaf , Lee Changbae , Adams Jonathan , Kwak Hyun Jeong , Kim Jinsoo , Lee Sang‐Seob , Dong Ke 
Published: December 2021

AbstractNematodes play vital roles in soil ecosystems. To understand how their communities and coexistence patterns change along the elevation as well as to determine the best explanatory factors underlying these changes, we investigated free‐living soil nematodes on Mt. Halla, South Korea, using an amplicon sequencing approach targeting the 18S rRNA gene. Our results showed that there was significant variation in the community diversity and composition of soil nematodes in relation to elevation. The network interactions between soil nematodes were more intensive at the lower elevations. Climatic variables were responsible explaining the elevational variation in community composition and co‐occurrence pattern of the nematode community. Our study indicated that climatic factors served as the critical environmental filter that influenced not only the community structure but also the potential associations of soil nematodes in the mountain ecosystem of Mt. Halla. These findings enhance the understanding of the community structure and co‐occurrence network patterns and mechanisms of soil nematode along elevation, and the response of soil nematodes to climate change on the vertical scale of mountain ecosystems.
Sustainable long‐term mitigation of floods and droughts in semiarid regions: Integrated optimal management strategies for a salt lake basin
Authors: Siniscalchi Amira G. , Diaz Maria Soledad , Lara Rubén José 
Published: December 2021

AbstractWe present a management project for the mitigation of extreme climatic events in the frame of cyclic wet and dry periods in the semiarid Pampean region of Argentina. The developed methodological approach allows quantitative planning of strategies to tackle the effect of recurrent floods and droughts in a salt lake basin through the formulation of an optimal control problem, which constitutes a novel approach to ecohydrological systems management. The control variables correspond to (i) diversion flows from a lake tributary to an artificial freshwater reservoir to damp lake flooding, (ii) freshwater flows from the reservoir to the salt lake to keep its salinity at desired values and (iii) freshwater flows to irrigate crops during drought periods. Further, we address the economic valuation of ecosystem services in the basin. Quantitative results provide useful insights on optimal management strategies and the effects of their implementation, as well as their impact on the valuated services in the watershed under study.
Predicting financial crises with machine learning methods
Authors: Liu Lanbiao , Chen Chen , Wang Bo 
Published: December 2021

AbstractCountries must establish an effective early warning system to predict financial crises in order to avoid their catastrophic effects. To this end, we construct early warning systems based on the logistic model and seven machine learning methods, and we also use the Shapley value decomposition and Shapley regression to explore the causality of the machine learning methods. By comparing the performance of different early warning models in out‐of‐sample tests, we find that the machine learning models, especially the random forest, gradient boosting decision tree, and ensemble models, outperform the logistic model in terms of providing early predictions of financial crises. In addition, the Shapley value can be used to find more effective predictive indicators and analyze the causes of risks in different countries to a certain extent, enabling policymakers to supplement the policy toolbox to deal with such crises. Thus, we suggest that machine learning methods should be considered when establishing early warning systems to predict financial crises in the future.
Potential Utility of Induced Translocation of Engineered Bacteria as a Therapeutic Agent for Mounting a Personalized Neoantigen‐Based Tumor Immune Response
Authors: Luengo‐Gil Ginés , Conesa‐Zamora Pablo 
Published: December 2021

AbstractToday, an unprecedented understanding of the cancer genome, along with major breakthroughs in oncoimmunotherapy, and a resurgence of nucleic acid vaccines against cancer are being achieved. However, in most cases, the immune system response is still insufficient to react against cancer, especially in those tumors showing low mutational burden. One way to counteract tumor escape can be the induction of bacterial translocation, a phenomenon associated with autoimmune diseases which consists of a leakage in the colonic mucosa barrier, causing the access of gut bacteria to sterile body compartments such as blood. Certain commensal or live‐attenuated bacteria can be engineered in such a way as to contain nucleic acids coding for tumor neoantigens previously selected from individual tumor RNAseq data. Hypothetically, these modified bacteria, previously administered orally to a cancer patient, can be translocated by several compounds acting on colonic mucosa, thus releasing neoantigens in a systemic environment in the context of an acute inflammation. Several strategies for selecting neoantigens, suitable bacteria strains, genetic constructs, and translocation inducers to achieve tumor‐specific activations of CD4 and CD8 T‐cells are discussed in this hypothesis.