bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surplus energy utilization of spent lithium‐ion batteries for high‐profit organolithiums
Authors: Lu Jian , Zhao Yun , Kang Yuqiong , Li Chenglei , Liu Yawen , Wang Liguang , Du Hao , Fan Meicen , Zhou Yunan , Wozny John , Li Tao , Tavajohi Naser , Kang Feiyu , Li Baohua 
Published: November 2022

AbstractIt is challenging to efficiently and economically recycle many lithium‐ion batteries (LIBs) because of the low valuation of commodity metals and materials, such as LiFePO4. There are millions of tons of spent LIBs where the barrier to recycling is economical, and to make recycling more feasible, it is required that the value of the processed recycled material exceeds the value of raw commodity materials. The presented research illustrates improved profitability and economics for recycling spent LIBs by utilizing the surplus energy in lithiated graphite to drive the preparation of organolithiums to add value to the recycled lithium materials. This study methodology demonstrates that the surplus energy of lithiated graphite obtained from spent LIBs can be utilized to prepare high‐value organolithiums, thereby significantly improving the economic profitability of LIB recycling. Organolithiums (R–O–Li and R–Li) were prepared using alkyl alcohol (R–OH) and alkyl bromide (R–Br) as substrates, where R includes varying hindered alkyl hydrocarbons. The organolithiums extracted from per kilogram of recycled LIBs can increase the economic value between $29.5 and $226.5 kg−1 cell. The value of the organolithiums is at least 5.4 times the total theoretical value of spent materials, improving the profitability of recycling LIBs over traditional pyrometallurgical ($0.86 kg−1 cell), hydrometallurgical ($1.00 kg−1 cell), and physical direct recycling methods ($5.40 kg−1 cell).
Erythrose and Threose: Carbonyl Migrations, Epimerizations, Aldol, and Oxidative Fragmentation Reactions under Plausible Prebiotic Conditions
Authors: Yi Ruiqin , Kern Ryan , Pollet Pamela , Lin Huacan , Krishnamurthy Ramanarayanan , Liotta Charles L. 
Published: November 2022

AbstractThe prebiotic generation of sugars in the context of origins of life studies is of considerable interest. Among the important intramolecular processes of sugars are carbonyl migrations and accompanying epimerizations. Herein we describe the carbonyl migration‐epimerization process occurring down the entire carbon chain of chirally pure d‐tetroses sugars under mild conditions. Employing chirally pure 1‐13C‐erythrose, 4‐13C‐erythrose and 1‐13C‐threose, we (1) identify all the species formed as the carbonyl migrates down the four‐carbon chain and (2) assess the rates associated with the production of each of these species. Competing aldol reactions and oxidative fragmentation processes were also observed. Further observations of self‐condensation of glycolaldehyde mainly yielding 2‐keto‐hexoses (sorbose and tagatose) and tetrulose also provides a basis for understanding the effect of carbonyl migrations on the product distribution in plausible prebiotic scenarios.
Advanced Stretchable Photodetectors: Strategies, Materials and Devices
Authors: Bai Xinyao , Gao Wanxiao , Cai Yunpeng , Bai Zhenxu , Qi Yaoyao , Yan Bingzheng , Wang Yulei , Lu Zhiwei , Ding Jie 
Published: November 2022

AbstractPast decades have witnessed the generation of new stretchable photodetectors in electronic eyes, health sensing, wearable devices, intelligent monitoring and other fields. Stretchable devices require not only outstanding performance but also excellent flexibility, adaptability and stability. Innovative strategies have been proposed to realize the stretchability of devices. In addition, novel functional materials including zero‐dimensional nanomaterials, one‐dimensional inorganic nanomaterials, two‐dimensional layered materials, organic materials, and organic‐inorganic composite materials with excellent properties are emerging to continuously improve the performance of devices. Here, the recent research progress of stretchable photodetectors in terms of both various design methods and functional materials is outlined. The optical performance and stretchable properties are also comprehensively reviewed. Finally, a summary and the challenges associated with the application of stretchable photodetectors are presented.
Rapid Screening of Kinetic Models for Methane Total Oxidation using an Automated Gas Phase Catalytic Microreactor Platform
Authors: Bawa Solomon Gajere , Pankajakshan Arun , Waldron Conor , Cao Enhong , Galvanin Federico , Gavriilidis Asterios 
Published: November 2022

AbstractAn automated flow micropacked bed catalytic reactor platform was developed to conduct pre‐planned experiments for rapid screening of kinetic models. The microreactor was fabricated using photolithography and deep reactive ion etching of a silicon wafer, with a reaction channel width and depth of 2 mm and 420 μm respectively. It was packed with ca. 10 mg of 5 wt. % Pd/Al2O3 catalyst to perform methane combustion, which was the selected reaction to test the developed platform. The experimental system was monitored and controlled by LabVIEW to which Python scripts for online design of experiments and data analysis were integrated. Within each experimental campaign, the platform automatically adjusted the experimental conditions, and the analysis of the product stream was conducted by online gas chromatography. The experimental platform demonstrated the capability of identifying the most probable kinetic models amidst potential models within two days.
Associations of device‐measured physical activity and sedentary time with quality of life and fatigue in newly diagnosed breast cancer patients: Baseline results from the AMBER cohort study
Authors: Vallance Jeff K. , Friedenreich Christine M. , Wang Qinggang , Matthews Charles E. , Yang Lin , McNeely Margaret L. , Culos‐Reed S. Nicole , Bell Gordon J. , Morielli Andria R. , McNeil Jessica , Dickau Leanne , Cook Diane , Courneya Kerry S. 
Published: November 2022

AbstractBackgroundThis study examined associations of device‐measured physical activity and sedentary time with quality of life (QOL) and fatigue in newly diagnosed breast cancer patients in the Alberta Moving Beyond Breast Cancer (AMBER) cohort study.MethodsAfter diagnosis, 1409 participants completed the SF‐36 version 2 and the Fatigue Scale, wore an ActiGraph device on their right hip to measure physical activity, and an activPAL device on their thigh to measure sedentary time (sitting/lying) and steps. ActiGraph data was analyzed using a hybrid machine learning method (R Sojourn package, Soj3x) and activPAL data were analyzed using activPAL algorithms (PAL Software version 8). Quantile regression was used to examine cross‐sectional associations of QOL and fatigue with steps, physical activity, and sedentary hours at the 25th, 50th, and 75th percentiles of the QOL and fatigue distributions.ResultsTotal daily moderate and vigorous physical activity (MVPA) hours was positively associated with better physical QOL at the 25th (β = 2.14, p = <.001), 50th (β = 1.98, p = <.001), and 75th percentiles (β = 1.25, p = .003); better mental QOL at the 25th (β = 1.73, p = .05) and 50th percentiles (β = 1.07, p = .03); and less fatigue at the 25th (β = 4.44, p < .001), 50th (β = 3.08, p = <.001), and 75th percentiles (β = 1.51, p = <.001). Similar patterns of associations were observed for daily steps. Total sedentary hours was associated with worse fatigue at the 25th (β = −0.58, p = .05), 50th (β = −0.39, p = .06), and 75th percentiles (β = −0.24, p = .02). Sedentary hours were not associated with physical or mental QOL.ConclusionsMVPA and steps were associated with better physical and mental QOL and less fatigue in newly diagnosed breast cancer patients. Higher sedentary time was associated with greater fatigue symptoms.
Fe−NiS Nanorod Encapsulated in Ce‐doped NiOx Shell for Oxygen Evolution Reaction
Authors: Zhang Yuhua , Wang Guanmei , Li Na , Ke Di , Wang Jun 
Published: November 2022

AbstractRare earth (RE) elements are promising to improve the property of catalysts due to their distinctive 4 f electron orbital. Herein, a heterogeneous material of Fe−NiS nanorods encapsulated in Ce‐doped NiOx with 3D core‐shell structure (Fe−NiS@NiCeOx) was constructed on carbon cloth (CC) through a straightforward solvothermal reaction and a subsequent electrodeposition for enhancing the electrocatalytic performance towards oxygen evolution reaction (OER) in alkaline medium. The strategy facilitates a synergy among the components, including an enlarged electrochemical active area of Fe−NiS by the involvement of Fe and an ameliorated durability of Fe−NiS nanorod by encapsulated in NiCeOx shell. Furthermore, a flexible valence alternation between Ce (III) and Ce (IV) speeds up the charges transfer between Ni(II) and Ni(III). In 1.0 mol L−1 KOH, the Fe−NiS@NiCeOx/CC electrode shows the lowest overpotential of 230 mV to achieve the current density of 50 mA cm−2, the smallest Tafel slope of 63 mV dec−1 and a superior durability with only a potential fluctuation of 0.01 V on a chronopotentiometry curve within 24 h. Further research suggests that Fe−NiS@NiCeOx/CC exhibits the best performance of the three as‐fabricated Fe−NiS@NiREOx/CC (RE=Ce, La, Pr) catalysts.
Single‐linkage clustering of dynamic data
Authors: Mongandampulath Akathoott Anju , Nasre Rupesh 
Published: November 2022

SummaryThe surge in data sizes in fluid processing applications necessitates partitioning the data into clusters and studying their representatives instead of studying each voxel data point. In addition, the dynamic nature of these data poses further challenges. Under such circumstances, it becomes essential to develop an approach that can handle the delta data with minimal updates to the underlying data structure, without processing the complete data from scratch on every update. However, this poses synchronization challenges in parallelization. In this article, we propose SLCoDD (single‐linkage clustering of dynamic data), a geometric distance based dynamic clustering and its multi‐core parallelization using OpenMP. To improve efficiency, SLCoDD exploits geometric properties of the bounding squares. We illustrate trade‐offs in various ways of performing point additions to clusters, point deletions, and their batched versions. Using a suite of large inputs, we demonstrate the effectiveness of SLCoDD. SLCoDD's fully dynamic version achieves a substantial geomean speedup of over the static parallel version and of over the dynamic sequential version.
Generative adversarial network for sentiment‐based stock prediction
Authors: Asgarian Sepehr , Ghasemi Rouzbeh , Momtazi Saeedeh 
Published: November 2022

AbstractFinancial markets received more attention due to technological advancements, such as Artificial Intelligence (AI). In addition to the price index, traders and investors constantly monitor stock news on social media. Therefore, predicting the market by analyzing public opinions is an important issue. In this research, we propose three models based on Generative Adversarial Network (GAN), namely Price‐GAN, Price‐Sentiment‐GAN, and Price‐Sentiment‐WGAN. The first model uses only optimized price features, and the two other models use sentiment features collected from social media as well as optimized price features. All the proposed GAN models include Long Short‐Term Memory (LSTM) as generators and Convolution Neural Networks (CNN) as discriminators. To evaluate the proposed models, two different social media datasets in English and Persian are used. Our proposed models predict the close stock price for 15 English and 5 Persian stocks. All of the proposed GAN models outperform the state‐of‐the‐art models by enhancing the performance of the English dataset by 2.44% and the Persian dataset by 12.11%.
Bio‐inspired optimization to support the test data generation of concurrent software
Authors: Ferreira Vilela Ricardo , Choma Neto João , Santiago Costa Pinto Victor Hugo , Lopes de Souza Paulo Sérgio , do Rocio Senger de Souza Simone 
Published: November 2022

SummaryConcurrent programming is increasingly present in modern applications. Although it provides higher performance and better use of available resources, the mechanisms of interaction between processes/threads result in a greater challenge for software testing activity. The nondeterminism present in those applications is one of the main issues during the test activity since the same test input can produce different possible execution paths, which may or not contain defects. The test data automatic generation can alleviate this problem, ensuring higher speed and reliability in software testing activity. This paper explores the automatic test data generation for concurrent programs through Genetic Algorithm, a bioinspired optimization technique, and proposes a test data generation approach for concurrent programs, called BioConcST, and a new operator for the selection of test subjects, called FuzzyST, which uses fuzzy logic. The approaches were evaluated in an experimental study towards their validation. The results showed that BioConcST is more promising than the other approaches at all analyzed levels. FuzzyST, together with Elitism and Tournament operators, provided the best results; however, it proved more suitable for concurrent programs of higher complexity.
Immediate implant positioning using tooth‐derived bone substitute material for alveolar ridge preservation: Preliminary results at 6 months
Authors: Taschieri Silvio , Morandi Benedetta , Alberti Alice , Tarasenko Svetlana , Diachkova Ekaterina , Francetti Luca , Corbella Stefano 
Published: November 2022

AbstractObjectivesIn the present study we evaluated the effectiveness of the use of a novel autologous bone substitute derived directly from processing the extracted tooth in the upper premolar area to preserve a suitable esthetic score and functionality.Material and MethodsFourteen bone‐level implants with platform switching were inserted in 12 patients immediately after atraumatic extraction of premolars for restorative or endodontic reasons. The implant buccal bone gap was filled using autologous tooth extracted‐derived material. Clinical and radiographic parameters, including Pink Esthetic Score (PES) were evaluated at 6 months.ResultsA total of 10 patients accounting for 11 implants were included. PES showed a suitable esthetic result, and all the implant‐prosthetic rehabilitation reported full satisfaction for masticatory function, phonetics, and aesthetics. Bone levels were stable and not affected by implant location, lesion type, or bone quality.ConclusionRadiographically the autologous bone substitute used appears stable in the surgical site and there is good continuity between the autologous bone and the graft. No adverse effects such as periodontal inflammation, infection, or graft rejection was reported.
Human phase‐I metabolism and prevalence of two synthetic cannabinoids bearing an ethyl ester moiety: 5F‐EDMB‐PICA and EDMB‐PINACA
Authors: Giorgetti Arianna , Brunetti Pietro , Haschimi Belal , Busardò Francesco Paolo , Pelotti Susi , Auwärter Volker 
Published: November 2022

AbstractAround 2017, with the appearance of 5F‐EDMB‐PINACA, synthetic cannabinoids (SCs) carrying an ethyl ester moiety at the linked group started spreading on the market of new psychoactive substances (NPS). In 2020 and 2021, the indole analog of 5F‐EDMB‐PINACA (5F‐EDMB‐PICA) and the non‐fluorinated analog of this compound (EDMB‐PINACA) were analytically characterized. Here, we present suitable urinary markers to prove the consumption of these two ethyl analogs. Ten authentic urine samples for each compound were analyzed by liquid chromatography–quadrupole time‐of‐flight mass spectrometry (LC‐qToF‐MS). Anticipated phase‐I metabolites detected in urine samples were confirmed in vitro by applying a pooled human liver microsomes (pHLM) assay. Prevalence data were obtained from urines collected for abstinence control and submitted to a screening method for SC metabolites. Ten phase‐I metabolites of 5F‐EDMB‐PICA and 18 of EDMB‐PINACA were detected by LC‐qToF‐MS analysis of authentic urine specimens. The main in‐vivo metabolites were built by ester hydrolysis, often coupled to further metabolic processes. Investigation of phase‐I biotransformation led to the identification of ester hydrolysis, monohydroxylation, and defluorination products as the most suitable urinary biomarkers for 5F‐EDMB‐PICA. Metabolites formed by ester hydrolysis coupled to ketone formation and by monohydroxylation are suggested for the detection of EDMB‐PINACA. From October 1, 2020 to February 1, 2022, among positive urine samples, 5.4% and 10.1% tested positive 5F‐EDMB‐PICA and EDMB‐PINACA, respectively. Due to common metabolites shared among structurally related SCs, the unequivocal detection of their consumption remains challenging for forensic laboratories and requires sensitive methods to monitor multiple metabolites, ideally including highly specific species.
Photochemical Cross‐Coupling Enables Csp3−C Bond Formation by C−H Homolytic Cleavage: New Developments and Perspectives
Authors: Gkizis Petros L. 
Published: November 2022

AbstractOver the past decade with the relaunch of photochemistry, photochemical cross‐coupling reactions became an excellent tool for the formation of C−C bond under mild reaction conditions. C(sp3)−H functionalization of inert substrates, combined with modern transition metal catalysis, provides a powerful tool in organic synthesis. A variety of elegant strategies to initiate a HAT event have been developed, generating alkyl radicals that can be easily intersected with a metal. This review conceptualizes the recent developments in this area, linking them with the seminal contributions that pioneered this research field.
Efficient inorganic CsPbI2Br perovskite indoor photovoltaics demonstrated via slower crystallization by incorporated dimethylammonium iodide
Authors: Choi Seongyun , Lee Hyong Joon , Heo Jin Hyuck , Im Sang Hyuk 
Published: November 2022

AbstractAlthough inorganic CsPbI2Br perovskite has an ideal bandgap for indoor photovoltaics (IPVs), its poor solubility causes rapid crystallization during spin‐coating process and deteriorates the performance of IPVs. Here, efficient CsPbI2Br IPVs are demonstrated through slower crystallization by introduction of dimethylammonium iodide (DMAI), which has better solubility in perovskite solvent compared to the inorganic CsPbI2Br and is easily eliminated by thermal‐annealing. Consequently, the incorporation of DMAI results in the CsPbI2Br film with enlarged crystal grains with reduced interface traps. In addition, the incorporated DMAI orients preferentially the CsPbI2Br crystals to expose (110) facet. Through controlling the amount of incorporated DMAI, eventually the CsPbI2Br IPVs with 35.22% (0.096 cm2), 35.08% (1 cm2), and 29.80% (25 cm2) of power conversion efficiency under illumination of 1000 lux light‐emitting diode lamp are achieved. The unencapsulated device has good long‐term stability under 1000 lux lamp for 1000 h.image
Wood predictors in neotropical streams: Assessing the effects of regional and local controls in Amazon and Cerrado catchments
Authors: de Oliveira Saraiva Sarah , Kaufmann Philip Robert , Rutherfurd Ian , Gontijo Leal Cecília , Pereira Leitão Rafael , Rodrigues Macedo Diego , Santos Pompeu Paulo 
Published: November 2022

AbstractLarge wood plays a critical role providing complex habitat structure in rivers and streams. The instream wood regime consists of wood recruitment, transport, retention, and decay in river corridors. In tropical streams, transport and decay are thought to be the dominant influences on the amount of instream wood stored, and these are driven by upstream forest cover, as well as catchment hydroclimatic and geomorphic characteristics. Lack of studies of the tropical wood regime leave many uncertainties. Notably, the wood regimes in the neotropical Amazon and Cerrado biomes are not known, and rapidly changing land use threatens efforts to understand their natural wood regime. We investigated predictors of instream wood in catchments of the Amazon and Cerrado subject to a wide range of agricultural land use to identify the critical factors controlling wood recruitment and load. Using the structural equation modelling technique, we disentangled the complex net of regional and local controls. Contrary to our expectations, local drivers—such as the relation between the piece size and channel dimensions, discharge, stream power, and riparian forest—were the most important predictors of instream wood. The amounts of wood found in these streams were primarily the result of the wood delivered by the local riparian forest and how much of that wood remains trapped. Therefore, the preservation of the forested riparian zones in Amazon and Cerrado streams is crucial for maintaining the sources of wood as well as the channel morphology capable of trapping and retaining instream wood. Further research should compare reference and disturbed streams to quantify the influence of anthropogenic activities on instream wood and its primary influences. This information would facilitate assessing the extent of human alteration and developing mitigating measures to arrest or reverse changes that reduce instream wood and degrade aquatic and riparian habitat in neotropical rivers and streams.
Large‐Scale Synthesis of 4‐Methyl‐2‐(2H‐1,2,3‐triazol‐2‐yl)benzoic Acid – A Key Fragment of Single Orexin Receptor Antagonist ACT‐539313 – through Cu2O‐Catalyzed, Ligand‐Free Ullmann–Goldberg Coupling
Authors: Fleischer Tony , Schäfer Gabriel 
Published: November 2022

AbstractA vastly improved 2nd generation process for the large scale manufacturing of 4‐methyl‐2‐(2H‐1,2,3‐triazol‐2‐yl)benzoic acid (1) through an Ullmann–Goldberg coupling from 2‐bromo‐4‐methylbenzoic acid and 1H‐1,2,3‐triazole has been developed. The new process features several key process improvements compared to the original process: 1) MeCN was found as new reaction solvent, replacing the previously used undesired 1,4‐dioxane, 2) the CuI/DMCHDA catalyst system was successfully replaced by inexpensive Cu2O in the absence of any ligand, 3) the amounts of 1H‐1,2,3‐triazole and K2CO3 were both drastically decreased compared to the original route, 4) the potassium salt of the desired N2‐isomer directly crystallized from the reaction mixture and was isolated by filtration. The more soluble, undesired N1‐isomer potassium salt was purged into the mother liquor. 5) After dissolution of the N2‐isomer potassium salt in H2O and acidification with aq. HCl, the free carboxylic acid 1 crystallized as a white, crystalline solid in 61 % yield (200 g scale) and excellent HPLC purity (99.8 % a/a).