bluuebunny/crossref_metadata_2025_split huggingface dataset:
MOF‐Derived Onion‐Like Carbon with Superior Surface Area and Porosity for High Performance Lithium‐Ion Capacitors
Authors: Dimas Chandra Permana Antonius , Omar Ahmad , Guillermo Gonzalez‐Martinez Ignacio , Oswald Steffen , Giebeler Lars , Nielsch Kornelius , Mikhailova Daria 
Published: February 2022

AbstractLithium‐ion capacitors (LICs), potentially bring together the advantages of batteries and supercapacitors. For the faradaic anodes, nanostructured carbonaceous materials hold immense potential, in contrast to graphite where limitations in Li‐ion diffusivity exist. Herein, onion‐like carbons (OLCs), synthesized from Fe‐BTC metal‐organic framework (MOF), is implemented as the LIC anode, owing to its high charge storage capacity and rate capability as compared to graphite. The enhanced charge storage and Li‐ion transference in OLCs was understood to be due to hierarchical porosity with accessible inner voids along with high defect concentration. Therefore, full‐LIC cells with OLC anodes exhibited a markedly higher specific capacitance and an enhanced rate capability than graphite‐LIC. The OLC‐LIC achieved an outstanding maximum energy density of 224 Wh kg−1 at 122 W kg−1 and maximum power density of 14436 W kg−1 at 80 Wh kg−1. Thus, MOF‐derived OLC with distinctive morphology is presented as a highly attractive anode for practical LIC systems.
A case with type Ⅱ vesicouterine fistula
Authors: Yan Zhi‐peng , Wang Cheng‐cheng , Wang Yang‐yang , Zhao Sheng‐Tian 
Published: February 2022

AbstractHere, we report a 41‐year‐old female with type II VUF after hysteromyomectomy.We report the diagnosis of VUF by imaging method, and provide a feasible treatment for this complication after pelvic surgery.
Polypyrrole and Polythiophene Modified Carbon Nanotube‐Based Cathode Catalysts for Anion Exchange Membrane Fuel Cell
Authors: Sokka Andri , Mooste Marek , Marandi Margus , Käärik Maike , Kozlova Jekaterina , Kikas Arvo , Kisand Vambola , Treshchalov Alexey , Tamm Aile , Leis Jaan , Holdcroft Steven , Tammeveski Kaido 
Published: February 2022

AbstractThe development of non‐precious metal cathode catalysts for anion exchange membrane fuel cells (AEMFC) is beneficial for achieving a more affordable and sustainable H2 economy. Herein, we propose a polypyrrole, polythiophene, and multi‐walled carbon nanotube‐based composite material (PPy/PTh/MWCNT) for the electrocatalysis of oxygen reduction reaction (ORR) at the AEMFC cathode. The PPy/PTh/MWCNT catalyst has a tubular micro‐mesoporous structure with high specific surface area. The elemental composition of the catalyst's surface was studied by X‐ray photoelectron spectroscopy. In 0.1 M KOH solution, the ORR half‐wave potential is −0.16 V (SCE) and the electron transfer number is 4. In a single‐cell AEMFC, the PPy/PTh/MWCNT catalyst exhibited a maximum power density of 284 mW cm−2, which is 86 % of the value obtained using commercial Pt/C cathode catalyst under the same testing conditions.
Metal‐Organic Frameworks as Unique Platforms to Gain Insight of σ‐Hole Interactions for the Removal of Organic Dyes from Aquatic Ecosystems
Authors: Negro Cristina , Escamilla Paula , Bruno Rosaria , Ferrando‐Soria Jesus , Armentano Donatella , Pardo Emilio 
Published: February 2022

AbstractThe combination of high crystallinity and rich host‐guest chemistry in metal‐organic frameworks (MOFs), have situated them in an advantageous position, with respect to traditional porous materials, to gain insight on specific weak noncovalent supramolecular interactions. In particular, sulfur σ‐hole interactions are known to play a key role in the biological activity of living beings as well as on relevant molecular recognitions processes. However, so far, they have been barely explored. Here, we describe both how the combination of the intrinsic features of MOFs, especially the possibility of using single‐crystal X‐ray crystallography (SCXRD), can be an extremely valuable tool to gain insight on sulfur σ‐hole interactions, and how their rational exploitation can be enormously useful in the efficient removal of harmful organic molecules from aquatic ecosystems. Thus, we have used a MOF, prepared from the amino acid L‐methionine and possessing channels decorated with −CH2CH2SCH3 thioalkyl chains, to remove a family of organic dyes at very low concentrations (10 ppm) from water. This MOF is able to efficiently capture the four dyes in a very fast manner, reaching within five minutes nearly the maximum removal. Remarkably, the crystal structure of the different organic dyes within MOFs channels could be determined by SCXRD. This has enabled us to directly visualize the important role sulfur σ‐hole interactions play on the removal of organic dyes from aqueous solutions, representing one of the first studies on the rational exploitation of σ‐hole interactions for water remediation.
High‐Temperature Quantum Tunneling and Hydrogen Bonding Rearrangements Characterize the Solid‐Solid Phase Transitions in a Phosphonium‐Based Protic Ionic Liquid
Authors: Khudozhitkov Alexander E. , Donoshita Masaki , Stepanov Alexander G. , Philippi Frederik , Rauber Daniel , Hempelmann Rolf , Kitagawa Hiroshi , Kolokolov Daniil I. , Ludwig Ralf 
Published: February 2022

AbstractWe report the complex phase behavior of the glass forming protic ionic liquid (PIL) d3‐octylphosphonium bis(trifluoromethylsulfonyl)imide [C8H17PD3][NTf2] by means of solid‐state NMR spectroscopy. Combined line shape and spin relaxation studies of the deuterons in the PD3 group of the octylphosphonium cation allow to map and correlate the phase behavior for a broad temperature range from 71 K to 343 K. In the solid PIL at 71 K, we observed a static state, characterized by the first deuteron quadrupole coupling constant reported for PD3 deuterons. A transition enthalpy of about 12 kJ mol−1 from the static to the mobile state with increasing temperature suggests the breaking of a weak, charge‐enhanced hydrogen bond between cation and anion. The highly mobile phase above 100 K exhibits an almost disappearing activation barrier, strongly indicating quantum tunneling. Thus, we provide first evidence of tunneling driven mobility of the hydrogen bonded P−D moieties in the glassy state of PILs, already at surprisingly high temperatures up to 200 K. Above 250 K, the mobile phase turns from anisotropic to isotropic motion, and indicates strong internal rotation of the PD3 group. The analyzed line shapes and spin relaxation times allow us to link the structural and dynamical behavior at molecular level with the phase behavior beyond the DSC traces.
Comprehensive Characterization of Shredded Lithium‐Ion Battery Recycling Material
Authors: Peschel Christoph , van Wickeren Stefan , Preibisch Yves , Naber Verena , Werner Denis , Frankenstein Lars , Horsthemke Fabian , Peuker Urs , Winter Martin , Nowak Sascha 
Published: February 2022

AbstractHerein we report on an analytical study of dry‐shredded lithium‐ion battery (LIB) materials with unknown composition. Samples from an industrial recycling process were analyzed concerning the elemental composition and (organic) compound speciation. Deep understanding of the base material for LIB recycling was obtained by identification and analysis of transition metal stoichiometry, current collector metals, base electrolyte and electrolyte additive residues, aging marker molecules and polymer binder fingerprints. For reversed engineering purposes, the main electrode and electrolyte chemistries were traced back to pristine materials. Furthermore, possible lifetime application and accompanied aging was evaluated based on target analysis on characteristic molecules described in literature. With this, the reported analytics provided precious information for value estimation of the undefined spent batteries and enabled tailored recycling process deliberations. The comprehensive feedstock characterization shown in this work paves the way for targeted process control in LIB recycling processes.
Illumination correction of dyed fabric based on extreme learning machine with improved ant lion optimizer
Authors: Zhou Zhiyu , Ji Haodong , Yang Xingfan 
Published: February 2022

AbstractIn order to eliminate the influence of scene illumination on the evaluation of the color difference of dyed fabrics, this paper proposes a dyed fabric illumination correction algorithm based on the extreme learning machine (ELM) with grey wolf optimizer (GWO)‐optimized ant lion optimizer (ALO). Firstly, the Grey Edge framework is used to extract the features of the dyed fabric image as the input vector. Then, to improve the optimization ability of the ALO algorithm, the GWO algorithm is used to provide a set of optimized initial populations to the ALO algorithm, and then the improved ALO algorithm is used to optimize the parameters of the ELM. Finally, the proposed GWO‐ALO‐ELM algorithm is used to correct the illumination of the dyed fabric, and restore the graphics to the effect display under standard illumination through the diagonal reduction model. Compared with the experimental results of GWO‐ELM, ALO‐ELM, backpropagation (BP), ELM, random vector function link (RVFL), and other algorithms, it can be seen that the GWO‐ALO‐ELM algorithm proposed in this paper has good predictive value and quasi‐bias effect, and good stability.
Numerical Simulation of Thermal Performance of GaAs‐Metal‐Organic Chemical Vapor Deposition Reactor Based on 36 × 4 inches’ Wafers
Authors: Yu Dayang , Li Hui 
Published: February 2022

AbstractCurrently, limited studies on 3D models based on thermal and flow fields have investigated the effects of geometric and process parameters on the metal–organic chemical vapor deposition (MOCVD) process in large square reactors under severe temperatures. To address these problems, this study conducts numerical simulations and experiments for a large square Gallium Arsenide (GaAs) MOCVD reactor. A 3D model based on the MOCVD reactor coupled with fluid flow and heat transfer is developed to analyze the influence of the heating mode and process parameters on the temperature uniformity and heating efficiency. At 800 °C, the heating time is decreased less than 300 s, and a temperature uniformity of 7.9 °C is achieved, thereby realizing improved uniformity and excellent reactor performance. The use of cross and lateral lamps promote the controllability of the reactor temperature. As the gas flow rate increases, the velocity at the edge of the reactor increases, which induces the difference in the heat transfer coefficient between the center and edge increased. The variations in the gas composition influence the heating rate and temperature uniformity. The results of this study are useful for the design of heating modules in MOCVD reactors.
Research Progress on Postgrowth Annealing of Cd1−xMnxTe Crystals
Authors: Yu Pengfei , Jiang Biru , Liu Wenfei , Shao Tingquan , Gao Pandeng 
Published: February 2022

AbstractCadmium manganese telluride (Cd1−xMnxTe, abbreviated CMT) crystals have high resistivity, wide bandgap and good carrier transport properties, as well as being superior to traditional CdZnTe crystals in some respects. Therefore, CMT crystals are promising materials for room‐temperature nuclear radiation detectors. However, as‐grown CMT crystals usually include many defects dominated by Te inclusions. These defects greatly affect the device performance. In this paper, main defects such as point defects, dislocations, and inclusions in CMT materials are summarized and discussed. Postgrowth annealing is used to reduce and eliminate defects. It is a great method to improve the properties of as‐grown crystals. Annealing process includes annealing method, atmosphere, temperature, and time. The research progress of annealing process on crystal quality, photoelectric properties, and detector performance is reviewed.
Case study research of green life cycle model for the evaluation and reduction of scope 3 emissions in food supply chains
Authors: Asif Muhammad Salman , Lau Henry , Nakandala Dilupa , Fan Youqing , Hurriyet Hilal 
Published: February 2022

AbstractScope 3 emissions evaluation is a challenge but Walmart's collaborations with its suppliers has set the benchmark as they successfully reported these emissions to Carbon Disclosure Project in 2020. This study has analysed Walmart's best supplier management practices (The sustainability insight system or THESIS, Project gigaton and Blockchain technology) that proved their success in identifying, evaluating and reducing scope 3 emissions. Using Agribalyse database and case product of beef pie, we identified critical hotspots in upstream food supply chains through life cycle assessment (LCA). A weighting method was used to prioritise the critical hotspots. For empirical evidence, a few hotspots were addressed using Walmart's best practices and modified LCA was piloted that showed up to 10% decreased environmental burden, irrespective of the change in region, data mix and supply chain complexity. For industrial implication, a hotspot resolution model was designed for the root cause analysis of pain points concerning global food supply chains. Firms can use this generic model to identify and implement best practices based on breakdown of supply chain hotspots.
The rationale for ISO 14001 certification: A systematic review and a cost–benefit analysis
Authors: Camilleri Mark Anthony 
Published: February 2022

AbstractThis contribution presents the findings from a two‐stage systematic review. It relied on PRISMA's methodical protocol to capture and analyze high‐impact articles, that were focused on the International Standards Organization's ISO 14001—Environment Management Systems. Whilst stage 1 shed light on the most cited publications since 1995, stage 2 narrowed down the search results between 2015 and 2021. The findings suggest that the use of this certifiable standard may result in operational efficiencies through better utilization of resources and waste management systems. It provides opportunities for practitioners to re‐conceive their license to operate and to enhance their credentials with stakeholders. Moreover, this review considered potential pitfalls of ISO 14001, like high certification costs, time constraints as well as an increase in paperwork and red tape. It noted that managers and employees may not always be willing or knowledgeable enough to implement the necessary changes to comply with the standard's requirements.
Epigenetic regulation of inflammation by microRNAs in post‐infectious bronchiolitis obliterans
Authors: Duecker Ruth P , De Mir Messa Ines , Jerkic Silvija‐Pera , Kochems Annalena , Gottwald Gabriele , Moreno‐Galdó Antonio , Rosewich Martin , Gronau Lucia , Zielen Stefan , Geburtig‐Chiocchetti Andreas , Kreyenberg Hermann , Schubert Ralf 
Published: February 2022

AbstractObjectivesPost‐infectious bronchiolitis obliterans (PiBO) is a rare, chronic disease initiated by severe infection and followed by perpetuating inflammation and obliteration of the small airways. MicroRNAs (miRNAs) have been proposed to play a central role as epigenetic regulators, which control resolution and prevent the uncontrolled progress of inflammation. The aim of this study was to define biomarkers on the level of post‐transcriptional gene regulation in order to characterise PiBO.MethodsA total of 39 patients with well‐defined PiBO and 31 controls from two centres, Barcelona, Spain, and Frankfurt, Germany, were analysed by next‐generation sequencing (NGS). The evaluation of the biological targets of the miRNAs was performed by pathway enrichment analysis and protein–protein interaction network analysis respectively.ResultsPatients with PiBO had significantly lower lung function values and increased airway inflammation in induced sputum as indicated by total cell counts, neutrophils, IL‐1β, IL‐6, IL‐8 and TGF‐β compared to controls.Next‐generation sequencing analysis revealed a total of 22 dysregulated miRNAs, which passed significance threshold for Padj ≤ 0.001 with 17 being upregulated and 5 being downregulated. Of these dysregulated miRNAs, miR‐335‐5p, miR‐186‐5p, miR‐30b‐5p and miR‐30c‐5p were further validated using qRT‐PCR. Interestingly, these miRNAs are functionally implicated in cytokine–cytokine receptor interaction, TGF‐β signalling and FoxO signalling pathway and significantly correlated with lung function values (FEV1).ConclusionOur results demonstrate an aberrant miRNA expression profile in PiBO, which impacts pathways responsible for the regulation of inflammation and fibrosis. The defined miRNAs are useful biomarkers and should be assessed as potential target in the field of miRNA therapeutics.
Throughput performance of a non‐linear energy‐harvesting cognitive radio‐enabled device‐to‐device network
Authors: Kumar Pradeep , Bhowmick Abhijit 
Published: February 2022

SummaryIn cellular networks, device‐to‐device (D2D) communication is a new paradigm. In this paper, the performance of a non‐linear energy‐harvesting D2D communication network underlaying a cellular network is studied under a channel quality constraint. To make the study more realistic, spectrum sensing is incorporated with the D2D communication. Thus, the user equipments (UEs), that is, D2D devices, are enabled with cognitive radio (CR) technology. Since the UEs are battery powered, there exists an energy constraint. Thus, each UE is also equipped with an energy‐harvesting circuit and harvest energy from radio frequency (RF) signal of power transfer units (PTUs) and cellular users (CUs). Each UE uses its harvested energy for transmission. A D2D transmitter uses sensing information to decide its mode of transmission over a CU channel and is shared in hybrid mode. An algorithm is proposed based on threshold‐based censoring to maximize the throughput. In the proposed scheme, D2D users associated with the bad quality of channels are eliminated from the transmission process. Analytical expressions of throughput and improvement in spectrum utilization (ISU) are developed. The impact of the interference threshold to CU, the censoring threshold and the saturation level of the energy harvester on throughput is studied. The network performance is also investigated for several types of channels. It is found that the amount of fading has a significant impact on throughput performance. It is observed that the proposed scheme outperforms the conventional scheme.
Generic MGF‐based tight approximation for the error rate analysis
Authors: Pratap Singh S. , Singh Shekhar , Kumar Amit , Pandey Ashish , M Lakshmanan , Mohammed Noor , Kumar Sanjay 
Published: February 2022

SummaryThe moment generating function (MGF)‐based approach is found as more profound as compared with probability density function (PDF)‐based counterpart for error rate analysis in any communication system. However, it fails in the case of several modulation schemes with constellation size M, such as M‐PSK, M‐QAM, and M‐PAM schemes among the others, due to the computational complexity of the involved integration. Though authors in the literature suggest alternate analytical expressions to overcome the problem it is solved only for M‐PSK and M‐QAM schemes. Hence, we present a generic MGF‐based tight approximation for the error rate analysis of different modulation schemes. Particularly, error rate analysis of M‐PAM, M‐AM, B‐PSK, B‐FSK, and orthogonal B‐FSK with non‐coherent (Non‐Co) detection modulation schemes are presented through known MGF based expressions without the evaluation of any integration. Also, a simple analytical expression for the M‐QAM modulation scheme is presented. Besides, the proposed MGF‐based analytical expressions are used to evaluate the error rate of M‐PSK, M‐PAM, and M‐AM modulation schemes over the generalized‐K (GK) fading channel, which is not presented in literature due to the computational complexity of involved integration. Newly, derived analytical expressions are validated through Monte Carlo simulation. The graphical results show the validity and accuracy of the proposed unified MGF‐based analytical expressions for error rate analysis of different modulation schemes overkμ‐gamma and GK fading channels, respectively.
The cytologic diagnosis of “atypical”: Criteria and controversies
Authors: VandenBussche Christopher J. , Baloch Zubair W. 
Published: February 2022

AbstractHistorically, the word “atypia” has been applied as a descriptor for cytomorphologic changes that deviate from what is expected; the assessment of deviant vs. expected cytomorphology is in the eye of the beholder. “Atypia” has been used to define a spectrum of changes which includes reactive changes known to be benign, but also for those concerning for malignancy, as well as everything in‐between. The absence of a standardized reporting system and/or the lack of communication with clinicians can lead to the overutilization of the atypical category. When faced with a high rate of atypical diagnoses, clinicians are unable to distinguish patients who need more aggressive follow up from those that do not. Patients accessing their test results may not understand what an “atypical” diagnosis means; this can lead to unnecessary patient anxiety. Finally, atypical diagnoses can trigger reflex ancillary testing. This impacts ancillary test performance, as performance depends upon the pre‐test probability of the cohort being tested. The inappropriate testing of low‐risk patients can result in an increased number of false positive tests, which in turn lead to unnecessary procedures. Given these challenges, we present this special issue on “atypical” diagnoses in the field of cytopathology. In this issue, experts in various areas of cytopathology review the literature and discuss the diagnostic dilemmas of rendering “atypical” cytologic diagnosis, associated controversies, the effect on patient management, and abuse of ancillary studies. This issue also includes brief commentaries from clinicians from four different medical specialties who often encounter indeterminate cytologic diagnoses.
Human dendritic cell subsets: An updated view of their ontogeny and functional specialization
Authors: Segura Elodie 
Published: February 2022

AbstractHuman DCs have been divided into several subsets based on their phenotype and ontogeny. Recent high throughput single‐cell methods have revealed additional heterogeneity within human DC subsets, and new subpopulations have been proposed. In this review, we provide an updated view of the human DC subsets and of their ontogeny supported by recent clinical studies . We also summarize their main characteristics including their functional specialization.
Coordination Chemistry of Borane in Solution: Application to a STING Agonist
Authors: Zhdanko Alexander , van der Worp Boris A. , Lemaire Sébastien 
Published: February 2022

AbstractEquilibrium constants were determined for ligand exchange reactions of borane complexes with various oxygen, sulfur, nitrogen, and phosphorus nucleophiles in solution, and a binding affinity scale was built spanning a range of 12 orders of magnitude. While the Keq are minimally dependent on the solvent, the rate of ligand exchange varies significantly. The fastest and slowest rates were observed in THF and CDCl3, respectively. Moreover, the ligand exchange rate differs in a very broad range depending on stability of the starting complex. Binding of BH3 was found to be much more sensitive to steric factors than protonation. Comparing nitrogen bases having equal steric properties, a linear correlation of BH3 binding affinity vs. Brønsted acidity was found. This correlation can be used to quickly estimate the BH3 binding affinity of a substrate if pKa is known. Kinetic studies suggest the ligand exchange to occur as a bimolecular SN2 reaction unless other nucleophilic species were present in the reaction mixture.