bluuebunny/crossref_metadata_2025_split huggingface dataset:
Halogen Bonding Heteroditopic Materials for Cooperative Sodium Iodide Binding and Extraction
Authors: Docker Andrew , Stevens James G. , Beer Paul D. 
Published: September 2021

AbstractA series of novel heteroditopic halogen bonding (XB) receptor functionalised silica based materials, containing mono‐ and bis‐iodotriazole benzo‐15‐crown‐5 groups are investigated for the cooperative binding and extraction of sodium halide ion‐pair species from aqueous solution. Characterisation of the XB materials by CHN elemental analysis, 13C CP/MAS NMR and ATR‐FTIR spectroscopies confirms and quantifies the successful incorporation of the ion‐pair receptor frameworks to the silica material. ICP‐MS solid‐liquid extraction studies demonstrate the bidentate XB functionalised material is capable of NaI extraction from water. Importantly, cooperative XB‐mediated sodium halide ion‐pair binding is determined to be crucial to the material's extraction capabilities, impressively demonstrating a two‐fold enhancement in sodium iodide extraction efficiency relative to a heteroditopic hydrogen bonding receptor functionalised silica material analogue.
Vorteile von Open‐Source‐Ansätzen bei der Etablierung einer automatisierten wirkungsbezogenen Analytik
Authors: Jochums Max , Kochale Kjell , Teutenberg Thorsten , Türk Jochen , Bergstedt Uta 
Published: September 2021

AbstractDie Bestimmung der Wirkung von toxischen Verbindungen in Abwässern erfolgt mittels dünnschichtchromatographischer Verfahren. Für eine Automation der wirkungsbezogenen Analytik wurde eine bereits bestehende technische Lösung als Open‐Source‐Hardware‐Ansatz in Kombination mit der additiven Fertigung adaptiert. Das System ist flexibel auf spezifische Fragestellungen der automatisierten Bestimmung von umweltrelevanten Verbindungen anwendbar und leistet einen wertvollen Beitrag zur Digitalisierung und Automation von Hochleistungsdünnschichtchromatographie‐Systemen.
Angepasste Rührwerkstechnologie für effiziente Prozesse
Authors: Lindner Joerg‐Peter 
Published: September 2021

AbstractGerührte Reaktoren haben in vielen Prozessen der Chemischen Industrie, Biotechnologie oder Hydrometallurgie eine Schlüsselfunktion. Speziell in kontinuierlichen Prozessen ist ein hohes Augenmerk auf die störungsfreie Funktion der Rührwerke zur richten. In Batchprozessen mit zum Teil mehrphasigen Prozessen, in denen Fluid, Feststoffe und Gase gleichzeitig vermischt werden sollen oder in Prozessen mit Phasenumwandlungen oder hohen Viskositätsschwankungen ist der Rührwerksspezialist stark gefordert
Coriolisprinzip vereinfacht Herstellung von Multilayer‐Emulsionen
Authors: Heinrich Thomas 
Published: September 2021

AbstractBei Rezepturen für stabile Emulsionen müssen kleinste Flüssigkeitsmengen sicher dosiert und variiert werden. Massendurchflussmesser und ‐regler, die nach dem Coriolisprinzip arbeiten, verkürzen die nötige Vorbereitungszeit für die Parametrierung bei neuen Rezepturen in Forschung, Entwicklung und der Kleinstmengenproduktion.
Weniger Wasserbedarf für die Fest‐Flüssig‐Trennung
Authors: Boerboom Thomas 
Published: September 2021

AbstractFür die Herstellung von Vorprodukten eines besonders reißfesten Kunststoffes kommen Taktbandfiltern zum Einsatz. Um den hohen industriellen Qualitätsanforderungen des Kunststoffproduzenten in den USA zu entsprechen, konzipierte ein Anlagenbauer für die Behandlung des Filterkuchens eine Kaskadenwäsche. Diese reduziert den Wasserbedarf, der für die erforderliche Verweilzeit benötigt wird. Dem Auftrag gingen umfassende Labor‐ und Pilotversuche im amerikanischen Testzentrum voraus.
Mikroverkapselung statt Tiefkühlung
Authors: Mühlbach Martin 
Published: September 2021

AbstractThermisch latente Epoxidharzsysteme bieten dem Anwender einen enormen Vorteil – sie werden bereits als Ein‐Komponenten‐Formulierung (1K) hergestellt und können direkt eingesetzt werden. Harz und der Härter sind bereits im richtigen Verhältnis vorgemischt, und durch den Einsatz reaktiver Beschleuniger kann die Härtungskinetik optimiert werden. Theoretisch reagieren solche Formulierung erst ab einer bestimmten Verarbeitungstemperatur und sind ansonsten inaktiv – aber nur theoretisch! Das Europäische Zentrum für Dispersionstechnologien (EZD, eine Einrichtung des Kunststoff‐Zentrums SKZ) hat sich mit der Mikroverkapselung thermisch latenter Beschleuniger mittels Sprühtrocknung beschäftigt
Nachhaltige und gesetzestreue industrielle Folienverpackung
Authors: Schnathmann Regina 
Published: September 2021

AbstractViele Betreiber von Verpackungsanlagen, die mit Stretchfolien Waren für den Umschlag auf Paletten fixieren und versandfertig verpacken, sind verunsichert: Seit Anfang 2019 ist das neue Verpackungsgesetz in Kraft. Sein Ziel ist es, Abfälle zu vermeiden und das Recycling zu stärken. Damit beinhalten viele Folien künftig mehr Rezyklat. Das kann deren Eigenschaften und somit auch die Handhabung erheblich verändern. Die Hochleistungsverpackungsanlage Beumer stretch hood A verarbeitet auch diese Folien mit Rezyklatanteil und veränderten Materialeigenschaften in gewohnter Weise zuverlässig und sicher.
Auxetische Materialien
Authors: Wolf Andreas T. 
Published: September 2021

ZusammenfassungAuxetische Materialien weisen ein ungewöhnliches Verhalten auf: Sie werden beim Strecken dicker und beim Zusammendrücken dünner. Als es Roderic Lakes gelang, konventionelle Polymerschäume in auxetische Materialien umzuwandeln, ahnet sicher niemand, dass damit ein neuer, stark interdisziplinärer Forschungszweig aus der Taufe gehoben war, der sich in den letzten 30 Jahren äußerst rasant entwickelte. Auf der makroskopischen Ebene wurde die Auxetik rasch zur Domäne der Designer und Ingenieure, die sich auf die Optimierung der Eigenschaften neuer ‚Metamaterialien‘ konzentrierten. Im nanoskopischen Bereich haben Chemiker in neuerer Zeit wichtige Fortschritte bei der Schaffung auxetischer Polymere erzielt. Der Artikel behandelt beispielhaft bestimmte auxetische Strukturierungskonzepte und zeigt auf, wie nano‐ oder mikroskopische Kinematik negative Poissonzahlen auf makroskopischer Ebene verursachen kann.
Spontaneous Deposition of Uniformly Distributed Ruthenium Nanoparticles on Graphitic Carbon Nitride for Quantifying Electrochemically Accumulated H2O2
Authors: Jiang Yuanyuan , Ding Zhenyu , Gao Meng , Chen Chuanxia , Ni Pengjuan , Zhang Chenghui , Wang Bo , Duan Guangbin , Lu Yizhong 
Published: September 2021

Main observation and conclusionHighly dispersed ultrasmall ruthenium nanoparticles with a clean surface are deposited onto graphitic carbon nitride (C3N4‐Ru) through spontaneous redox reaction between the C3N4 sheets and Ru salt without the use of any reductant. The as‐prepared C3N4‐Ru exhibits distinct peroxidase‐like activity. A nanozyme based method is successfully developed for detecting the H2O2 generated in‐situ by the two‐electron oxygen reduction strategy. The C3N4‐Ru nanozyme can realize the detection of H2O2 with a wide linear range and a low detection limit. The testing results are also compared with the conventional modified titration method, and show greater possibility for the practical detection of H2O2 produced via the electrochemical oxygen reduction for its higher selectivity.
Circularly Polarized Luminescence and SHG Chiral Signals of Helical TPE Macrocycles
Authors: Yuan Ying‐Xue , Hu Ming , Xue Man , Zhou Ting‐Ting , Zhang Zhen , Zheng Yan‐Song 
Published: September 2021

Main observation and conclusionOne pair of new enantiomers of helical tetraphenylethylene (TPE) tetracycle tetradodecylurea, which show aggregation‐induced emission (AIE) enhancement effect, were synthesized by attaching four dodecyl chains to a helical TPE tetracycle tetramine through urea linkage. These two TPE helicates bearing long alkyl chains could display strong circular dichroism (CD) and circularly polarized luminescence (CPL) signals not only in solution but also in solid state. Due to strong van der Waals interactions between the alkyl chains, the absolute dissymmetrical factor |glum| was up to 6.6 × 10‐3 , which was 2—3 fold larger than that of the helical TPE tetracycle tetramine (TPETA) without long alkyl chains in solution. Due to bearing hydrophilic urea units and hydrophobic long dodecyl chains, the helical TPE tetracycle could form chiral Langmuir‐Blodgett (LB) monolayers at air/water interface and showed a strong and stable second harmonic generation (SHG) chiral signals. The degree of chiral excess (DCE) for P‐isomer monolayer was up to ‐0.682 ± 0.0014. This is the first example to detect chirality at the air/water interface for chiral AIE molecules. It provides a new access to the application of chiral AIE compounds in nonlinear optical activity.
Energy‐aware intelligent hybrid routing protocol for wireless sensor networks
Authors: Ibrahim Mostafa E. A. , Ahmed Alaa E. S. 
Published: September 2021

AbstractDesigning a wireless sensor network (WSN) energy‐aware routing protocol is a thought‐provoking mission. Thus, this article presents an energy‐saving routing protocol for WSNs. The proposed protocol considers the energy level of sensor nodes and the distance to the base station to optimally determine the best route. It also takes advantage of the inherent complementarity of clustering techniques. The proposed routing scheme also exploits data aggregation to improve energy utilization and reduce communication costs. To choose the flawless route between a source node and the base station, ant colony optimization and A* algorithms are integrated. Finally, the performance of the proposed routing technique is compared with those of other existing up‐to‐date protocols. The results show that the proposed routing protocol outperforms them in terms of total energy consumption, network lifetime, stability period, and goodput.
Efficient land desertification detection using a deep learning‐driven generative adversarial network approach: A case study
Authors: Zerrouki Nabil , Dairi Abdelkader , Harrou Fouzi , Zerrouki Yacine , Sun Ying 
Published: September 2021

SummaryPrecisely detecting land cover changes aids in improving the analysis of the dynamics of the landscape and plays an essential role in mitigating the effects of desertification. Mainly, sensing desertification is challenging due to the high correlation between desertification and like‐desertification events (e.g., deforestation). An efficient and flexible deep learning approach is introduced to address desertification detection through Landsat imagery. Essentially, a generative adversarial network (GAN)‐based desertification detector is designed and for uncovering the pixels influenced by land cover changes. In this study, the adopted features have been derived from multi‐temporal images and incorporate multispectral information without considering image segmentation preprocessing. Furthermore, to address desertification detection challenges, the GAN‐based detector is constructed based on desertification‐free features and then employed to identify atypical events associated with desertification changes. The GAN‐detection algorithm flexibly learns relevant information from linear and nonlinear processes without prior assumption on data distribution and significantly enhances the detection's accuracy. The GAN‐based desertification detector's performance has been assessed via multi‐temporal Landsat optical images from the arid area nearby Biskra in Algeria. This region is selected in this work because desertification phenomena heavily impact it. Compared to some state‐of‐the‐art methods, including deep Boltzmann machine (DBM), deep belief network (DBN), convolutional neural network (CNN), as well as two ensemble models, namely, random forests and AdaBoost, the proposed GAN‐based detector offers superior discrimination performance of deserted regions. Results show the promising potential of the proposed GAN‐based method for the analysis and detection of desertification changes. Results also revealed that the GAN‐driven desertification detection approach outperforms the state‐of‐the‐art methods.
DFT Analysis of Methane C−H Activation and Over‐Oxidation by [Cu2O]2+ and [Cu2O2]2+ Sites in Zeolite Mordenite: Intra‐ versus Inter‐site Over‐Oxidation
Authors: Panthi Dipak , Adeyiga Olajumoke , Odoh Samuel O. 
Published: September 2021

AbstractMethane over‐oxidation by copper‐exchanged zeolites prevents realization of high‐yield catalytic conversion. However, there has been little description of the mechanism for methane over‐oxidation at the copper active sites of these zeolites. Using density functional theory (DFT) computations, we reported that tricopper [Cu3O3]2+ active sites can over‐oxidize methane. However, the role of [Cu3O3]2+ sites in methane‐to‐methanol conversion remains under debate. Here, we examine methane over‐oxidation by dicopper [Cu2O]2+ and [Cu2O2]2+ sites using DFT in zeolite mordenite (MOR). For [Cu2O2]2+, we considered the μ‐(η2:η2) peroxo‐, and bis(μ‐oxo) motifs. These sites were considered in the eight‐membered (8MR) ring of MOR. μ‐(η2:η2) peroxo sites are unstable relative to the bis(μ‐oxo) motif with a small interconversion barrier. Unlike [Cu2O]2+ which is active for methane C−H activation, [Cu2O2]2+ has a very large methane C−H activation barrier in the 8MR. Stabilization of methanol and methyl at unreacted dicopper sites however leads to over‐oxidation via sequential hydrogen atom abstraction steps. For methanol, these are initiated by abstraction of the CH3 group, followed by OH and can proceed near 200 °C. Thus, for [Cu2O]2+ and [Cu2O2]2+ species, over‐oxidation is an inter‐site process. We discuss the implications of these findings for methanol selectivity, especially in comparison to the intra‐site process for [Cu3O3]2+ sites and the role of Brønsted acid sites.
Microstructure Evolution Simulation of Laser Cladding Process Based on CA‐FD Model
Authors: Zhang Min , Guo Yufei , Guo Zhao , Zhang Lisheng , Wang Gang , Li Baoling 
Published: September 2021

AbstractIn this paper, a cellular automata‐finite difference (CA‐FD) model is established to simulate the microstructure evolution in the laser cladding process. The microtemperature field, crystal nucleation, and growth in the solidification process of Inconel 625 alloy cladding layer are researched, and the effects of different cladding process parameters on crystal growth are studied. The CA‐FD model is improved based on the temperature and sequence of phase formation in the solidification process of the cladding layer, so as to realize the simulation study of the phase transformation process in the Inconel 625 alloy cladding layer. Finally, the laser cladding experiment of Inconel 625 alloy is carried out, and the simulation results are verified.
Photocatalytic Degradation of Rhodamine B by TiO2 Pillared Illite/Smectite (Ti/(I/S)) under Visible‐Light Irradiation
Authors: Yang Jing , Long Jieqing , Xie Chuanfang , Wang Yongqian , Yang Xiande , Wei Liang 
Published: September 2021

AbstractDifferent Ti/(I/S) composites are synthesized by sol‐gel method. The microstructure, interfacial and optical properties of the obtained different Ti/(I/S) composites are characterized by scanning electron microscope (SEM), transmission electron microscope (TEM), X‐ray diffraction (XRD), surface area measurement (BET), and UV–vis diffused reflectance spectroscopy (UV‐Vis DRS). The results show that 5‐Ti/(I/S) composite has an obvious photocatalytic activity to rhodamine B (RhB) and the degradation rate can reach 81%, ·O2− is the key oxidative species. Moreover, 5‐Ti/(I/S) composite has good stability and repeatability.
Mixing of Azetidinium in Formamidinium Tin Triiodide Perovskite Solar Cells for Enhanced Photovoltaic Performance and High Stability in Air
Authors: Jokar Efat , Hou Ping‐Huan , Bhosale Sumit S. , Chuang He‐Shiang , Narra Sudhakar , Wei‐Guang Diau Eric 
Published: September 2021

AbstractOvercoming the issue of the stability of tin‐based perovskites is a major challenge for the commercial development of lead‐free perovskite solar cells. To attack this problem, a new organic cation, azetidinium (AZ), is incorporated into the crystal structure of formamidinium tin triiodide (FASnI3) to form the mixed‐cation perovskite AZxFA1‐xSnI3. As AZ has a similar size to FA but a larger dipole moment, hybrid AZxFA1‐xSnI3 films exhibit variation in optical and electronic properties on increasing the proportion of AZ. Trifluoromethylbenzene (CF3C6H5) serves as antisolvent to fabricate smooth and uniform perovskite films for the devices with an inverted planar heterojunction structure. The device performance is optimized to produce the greatest efficiency at x=0.15 (AZ15), for which a power conversion efficiency of 9.6 % is obtained when the unencapsulated AZ15 device is stored in air for 100 h. Moreover, the device retains 90 % of its initial efficiency for over 15 days. The significant performance and stability of this device reveal that the concept of mixed cations is a promising approach to stabilize tin‐based perovskite solar cells for future commercialization.
Synthesis of FeNiCo Ternary Hydroxides through Green Grinding Method with Metal‐Organic Frameworks as Precursors for Oxygen Evolution Reaction
Authors: Ma Junchao , Wang Sha , He Wenxiu , Chen Huan , Zhai Xu , Meng Fanbao , Fu Yu 
Published: September 2021

AbstractMetal‐organic framework (MOF)‐derived materials have been widely applied to diversified fields until now due to their flexible processibility. Different kinds of suitable materials can be synthesized by varying MOF templates/precursors and synthesis methods. An appropriate method can skillfully fabricate the materials with excellent performance while meeting the environmentally friendly concept. In this work, a green and flexible grinding method was introduced to synthesize MOF‐derived FeNiCo trimetallic materials without solvent‐assistance, in which Co‐ZIF‐L was selected as a sacrificial precursor and Fe3+ and Ni2+ as etchants and dopants. Surprisingly, the as‐prepared FeNiCo ternary hydroxides supported on Ni foam (G‐FeNi‐Co‐ZIF‐L/NF) showed superior electrocatalytic performance for the oxygen evolution reaction (OER) with a low overpotential of 248 mV at 10 mA cm−2. This work provides a prospective approach to synthesize various MOF‐derived multi‐metallic materials, which also opens the door for syntheses of OER electrocatalysts.
Selective Degradation of Styrene‐Related Plastics Catalyzed by Iron under Visible Light**
Authors: Wang Miao , Wen Jinglan , Huang Yahao , Hu Peng 
Published: September 2021

AbstractEfficient degradation of plastics, the vital challenge for a sustainable future, stands in need of better chemical recycling procedures that help produce commercially valuable small molecules and redefine plastic waste as a rich source of chemical feedstock. However, the corresponding chemical recycling methods, while being generally restricted to polar polymers, need improvement. Particularly, degradation of chemically inert nonpolar polymers, the major constitutes of plastics, suffers from low selectivity and very harsh transformation conditions. Herein, an efficient method was developed for selective degradation of styrene‐related plastics under gentle conditions through multiple oxidation of sp3 C−H bonds and sp3 C−C bonds. The procedure was catalyzed with inexpensive iron salts under visible light, using oxygen as green oxidant. Furthermore, simple iron salts could be used to degrade plastics in the absence of solvent under natural conditions, highlighting the potential application of iron salts as additives for degradable plastics.
Peak selection and latency jitter correction in developmental event‐related potentials
Authors: Guy Maggie W. , Conte Stefania , Bursalıoğlu Aslı , Richards John E. 
Published: September 2021

AbstractEvent‐related potentials (ERPs) provide great insight into neural responses, yet developmental ERP work is plagued with inconsistent approaches to identifying and quantifying component latency. In this analytical review, we describe popular conventions for the selection of time windows for ERP analysis and assert that a data‐driven strategy should be applied to the identification of component latency within individual participants’ data. This may overcome weaknesses of more general approaches to peak selection; however, it does not account for trial‐by‐trial variability within a participant. This issue, known as ERP latency jitter, may blur the average ERP, misleading the interpretation of neural mechanisms. Recently, the ReSync MATLAB toolbox has been made available for correction of latency jitter. Although not created specifically for pediatric ERP data, this approach can be adapted for developmental researchers. We have demonstrated the use of the ReSync toolbox with individual infant and child datasets to illustrate its utility. Details about our peak detection script and the ReSync toolbox are provided. The adoption of data processing procedures that allow for accurate, study‐specific component selection and reduce trial‐by‐trial asynchrony strengthens developmental ERP research by decreasing noise included in ERP analyses and improving the representation of the neural response.
A 3D approach to model the taper of irregular tree stems: making plots biomass estimates comparable in tropical forests
Authors: Bauwens S. , Ploton P. , Fayolle A. , Ligot G. , Loumeto J. J. , Lejeune P. , Gourlet‐Fleury S. 
Published: September 2021

AbstractIn tropical forests, the high proportion of trees showing irregularities at the stem base complicates forest monitoring. For example, in the presence of buttresses, the height of the point of measurement (HPOM) of the stem diameter (DPOM) is raised from 1.3 m, the standard breast height, up to a regular part of the stem. WhileDPOMis the most important predictor for tree aboveground biomass (AGB) estimates, the lack of harmonizedHPOMfor irregular trees in forest inventory increases the uncertainty in plot‐level AGB stock and stock change estimates. In this study, we gathered an original non‐destructive three‐dimensional (3D) data set collected with terrestrial laser scanning and close range terrestrial photogrammetry tools in three sites in central Africa. For the 228 irregularly shaped stems sampled, we developed a set of taper models to harmonizeHPOMby predicting the equivalent diameter at breast height (DBH′) from aDPOMmeasured at any height. We analyzed the effect of using DBH′ on tree‐level and plot‐level AGB estimates. To do so, we used destructive AGB data for 140 trees and forest inventory data from eight 1‐ha plots in the Republic of Congo. Our results showed that our best simple taper model predicts DBH′ with a relative mean absolute error of 3.7% (R2 = 0.98) over a wideDPOMrange of 17–249 cm. Based on destructive AGB data, we found that the AGB allometric model calibrated with harmonizedHPOMdata was more accurate than the conventional local and pantropical models. At the plot level, the comparison of AGB stock estimates with and withoutHPOMharmonization showed an increasing divergence with the increasing share of irregular stems (up to −15%). The harmonization procedure developed in this study could be implemented as a standard practice for AGB monitoring in tropical forests as no additional forest inventory measurements is required. This would probably lead to important revisions of the AGB stock estimates in regions having a large number of irregular tree stems and increase their carbon sink estimates. The growing use of three‐dimensional (3D) data offers new opportunities to extend our approach and further develop general taper models in other tropical regions.