bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sequential transformation study of minerals during underground coal gasification: Promising to indirectly reflect the actual reaction condition
Authors: Ma Weiping , Wang Yubo , Li Zhen , Yang Lanhe , Liu Shuqin 
Published: August 2021

AbstractThe mineralogical characteristics of underground coal gasification (UCG) residuals are closely related to the gasification conditions. The study of the mineral composition and transformation of ash and slag under different gasification conditions has important scientific significance for understanding the real gasification conditions, improving the utilization efficiency of coal, and identifying and controlling the environmental impact. In this paper, the sequential transformation of minerals under different temperature and atmosphere are studied by X‐ray diffraction (XRD) and FactSage software, and the elemental composition of the surface of the UCG ash and slag is characterized by SEM‐EDX. The results show that the main minerals in the semicoke are quartz (SiO2), illite (K1.5Al4(Si6.5Al1.5)O20(OH)4), and sanidine (KAlSi3O8). In the 900–1300°C reduction, ash, quartz, sanidine, hercynite (FeAl2O4), anorthite (CaAl2Si2O8), and mullite (Al6Si2O13) are the main minerals. The minerals in the oxidation residuals (1100–1500°C) are quartz, anorthite, hematite (Fe2O3), hercynite, cordierite (Fe2Al4Si5O18), and cristobalite. The reaction temperature has a significant effect on the changes in mineralogy. The reaction temperature is low during the pyrolysis process, and most changes involve only structural changes. With the reaction temperature increases, a series of reactions occur between different minerals. The reaction atmosphere also has a significant effect on the mineralogy. The research on the transformation of minerals in UCG residues can indirectly reflect the actual process of UCG, which can provide suggestions for the stable operation of the UCG process.
Versuche am Bau mit Kunststoffdübeln im Beton nach Technischer Regel des DIBt
Authors: Scheller Eckehard , Küenzlen Jürgen , Becker Rainer , Kuhn Thomas 
Published: August 2021

AbstractVersuche am Bauwerk im Verankerungsgrund Beton sind auf europäischer Ebene und in Deutschland nur für Kunststoffdübel mit Europäischer Technischer Bewertung (ETA) geregelt. Im September 2019 wurde dazu vom Deutschen Institut für Bautechnik (DIBt) die „Technische Regel Durchführung und Auswertung von Versuchen am Bau für Kunststoffdübel in Beton und Mauerwerk mit ETA …“ veröffentlicht. Für die praktische Umsetzung dieser Technischen Regel für Verankerungen in Mauerwerk wurde dazu vom Deutschen Ausschuss für Mauerwerk e.V. (DAfM) im Jahr 2020 das Heft 4 der DAfM Schriftenreihe „(Dübel‐) Versuche am Bauwerk in Mauerwerk – Aktuelle Regelungen für Kunststoffdübel und Metall‐Injektionsanker zur Verankerung im Mauerwerk“ herausgegeben. Dieser Fachbeitrag fasst die wesentlichen Inhalte der Technischen Regel des DIBt für Verankerungen in Beton zusammen und zeigt die geringfügigen Abweichungen zu den Regelungen im Verankerungsgrund Mauerwerk auf.
Ressourcenschonende Lärmschutzelemente aus Textilbeton als Alternative für konventionelle Stahlbetonfertigteile
Authors: Orlowsky Jeanette , Maurer Reinhard , Heeke Guido , Beßling Markus , Bettin Matthias 
Published: August 2021

AbstractDieser Beitrag beschreibt den Entwurf, die Herstellung und Untersuchung des Bauteilverhaltens einer Tragschicht aus Textilbeton als Alternative für konventionelle Lärmschutzwandelemente aus Stahlbeton. Mit dem Einsatz nichtmetallischer Bewehrungsstrukturen ist eine Reduktion der Betondeckung auf ein für die sichere Übertragung der Verbundkräfte erforderliches Minimum möglich. Der aus diesem Grundsatz abgeleitete und hinsichtlich der Bewehrung und des Herstellungsaufwands optimierte Querschnitt erlaubt eine Verringerung des Betonvolumens um zwei Drittel. Für die Materialwahl werden verschiedene technische Textilien miteinander verglichen und ein speziell für das Vorhaben konfiguriertes Textil als Vorzugsvariante gewählt. Kleinformatige Biegeversuche dienen der Anpassung der Material‐ und Querschnittseigenschaften, während die Untersuchung der Bauteilbemessung anhand großformatiger Bauteilversuche erfolgt. Das Ergebnis des Projekts sind neuartige, ressourcenschonende Lärmschutzwandelemente, welche sich durch ein deutlich geringeres Bauteilgesamtvolumen und ‐gewicht auszeichnen und zusätzlich wirtschaftlich herzustellen sind.
Structure‐guided identification of a peptide for bio‐enabled gold nanoparticle synthesis
Authors: Thaker Amar , Sirajudeen Luqmanal , Simmons Chad R. , Nannenga Brent L. 
Published: August 2021

AbstractIn this study, we show that maltose‐binding protein (MBP) is capable of facilitating stable gold nanoparticle synthesis, and a structure of MBP in the presence of gold ions was determined by X‐ray crystallography. Using this high‐resolution structure of gold ion bound MBP, a peptide (AT1) was selected and synthesized and was shown to also aid in the synthesis of stable gold nanoparticles under similar experimental conditions to those used for protein facilitated synthesis. This structure‐based approach represents a new potential method for the selection of peptides capable of facilitating stable nanoparticle synthesis.
Sodium fluoride‐rich solid electrolyte interphase for sodium–metal and sodium–oxygen batteries
Authors: Kim Sujung , Jung Younguk , Park Jiwon , Hong Misun , Byon Hye Ryung 
Published: August 2021

AbstractWe studied solid electrolyte interphase (SEI) on metallic sodium (Na) electrodes. Among sodium hexafluorophosphate (NaPF6), sodium triflate (NaOTf), and sodium bis(trifluoromethanesulfonyl)imide (NaTFSI) electrolytes, sodium fluoride (NaF)‐rich and compact SEI was only formed by chemical reduction of NaPF6. Excellent rigidity and insolubility of NaF‐rich SEI layer enhanced electrochemical cycling performances for both Na/Na symmetric cells and sodium–oxygen (Na–O2) cells. By contrast, the Na electrodes using NaOTf and NaTFSI formed porous and carbonaceous SEI layers rather than NaF. Soluble carbonaceous species were detached from the Na electrode, which led to the undesired decomposition of electrolyte solution. It resulted in the substantial formation of the dead Na and dendritic Na and caused cycling failure of Na–O2 cells within 10 cycles, demonstrated by NaOTf.
The expression of PHB2 in the cochlea: Possible relation to age‐related hearing loss
Authors: Yu Xiaoyu , Guan Ming , Shang Haiqiong , Teng Yaoshu , Gao Yueqiu , Wang Bin , Ma Zhiqi , Cao Xiaolin , Li Yong 
Published: August 2021

AbstractAge‐related hearing loss (ARHL) is the most prevalent sensory deficit in the elderly, but its mechanism remains unclear. Scaffold protein prohibitin 2 (PHB2) has been widely involved in aging and neurodegeneration. However, the role of PHB2 in ARHL is undeciphered to date. To investigate the expression pattern and the role of PHB2 in ARHL, we used C57BL/6 mice and HEI‐OC1 cell line as models. In our study, we have found PHB2 exists in the cochlea and is expressed in hair cells, spiral ganglion neurons, and HEI‐OC1 cells. In mice with ARHL, mitophagy is reduced and correspondingly the expression level of PHB2 is decreased. Moreover, after H2O2 treatment the mitophagy is activated and the PHB2 expression is increased. These findings indicate that PHB2 may exert an important role in ARHL through mitophagy. Findings from this study will be helpful for elucidating the mechanism underlying the ARHL and for providing a new target for ARHL treatment.
Molecular Recognition of Natural and Non‐Natural Substrates by Cellodextrin Phosphorylase from Ruminiclostridium Thermocellum Investigated by NMR Spectroscopy
Authors: Gabrielli Valeria , Muñoz‐García Juan C. , Pergolizzi Giulia , de Andrade Peterson , Khimyak Yaroslav Z. , Field Robert A. , Angulo Jesús 
Published: August 2021

Abstractβ‐1→4‐Glucan polysaccharides like cellulose, derivatives and analogues, are attracting attention due to their unique physicochemical properties, as ideal candidates for many different applications in biotechnology. Access to these polysaccharides with a high level of purity at scale is still challenging, and eco‐friendly alternatives by using enzymes in vitro are highly desirable. One prominent candidate enzyme is cellodextrin phosphorylase (CDP) from Ruminiclostridium thermocellum, which is able to yield cellulose oligomers from short cellodextrins and α‐d‐glucose 1‐phosphate (Glc‐1‐P) as substrates. Remarkably, its broad specificity towards donors and acceptors allows the generation of highly diverse cellulose‐based structures to produce novel materials. However, to fully exploit this CDP broad specificity, a detailed understanding of the molecular recognition of substrates by this enzyme in solution is needed. Herein, we provide a detailed investigation of the molecular recognition of ligands by CDP in solution by saturation transfer difference (STD) NMR spectroscopy, tr‐NOESY and protein‐ligand docking. Our results, discussed in the context of previous reaction kinetics data in the literature, allow a better understanding of the structural basis of the broad binding specificity of this biotechnologically relevant enzyme.
A Pseudorotaxane System Containing γ‐Cyclodextrin Formed via Chiral Recognition with an AuI6AgI3CuII3 Molecular Cap
Authors: Kojima Tatsuhiro , Takeda Hiroto , Kuwamura Naoto , Konno Takumi 
Published: August 2021

AbstractSolvent‐mediated crystal‐to‐crystal transformations of [Au6Ag3Cu3(H2O)3(d‐pen)6(tdme)2]3+ (d‐[1(H2O)3]3+; pen2−=penicillaminate, tdme=1,1,1‐tris(diphenylphosphinomethyl)ethane) to form unique supramolecular species are reported. Soaking crystals of d‐[1(H2O)3]3+ in aqueous Na2bdc (bdc2−=1,4‐benzenedicarboxylate) yielded crystals containing d‐[1(bdc)(H2O)2]+ due to the replacement of a terminal aqua ligand in d‐[1(H2O)3]3+ by a monodentate bdc2− ligand. When γ‐cyclodextrin (γ‐CD) was added to aqueous Na2bdc, d‐[1(H2O)3]3+ was transformed to d‐[1(bdc@γ‐CD)(H2O)2]+, where a γ‐CD ring was threaded by a bdc2− molecule to construct a pseudorotaxane structure. While the use of dicarboxylates with an aliphatic carbon chain instead of bdc2− afforded analogous pseudorotaxanes, such pseudorotaxane species were not formed when crystals of [Au6Ag3Cu3(H2O)3(l‐pen)6(tdme)2]3+ (l‐[1(H2O)3]3+) enantiomeric to d‐[1(H2O)3]3+ were soaked in aqueous Na2bdc and γ‐CD, affording only crystals containing l‐[1(bdc)(H2O)2]+.
RuxBi1‐x‐oxide as an electrode material for pseudocapacitors
Authors: Yu Hao , Sridhar Deepak , Omanovic Sasha 
Published: August 2021

AbstractThe influence of RuxBi1‐x‐oxide composition on the materials' charge storage/delivery capabilities as potential supercapacitor electrode materials was investigated in an alkaline medium. The oxides were produced as 2D coatings on a Ti substrate and were characterized by employing cyclic voltammetry, galvanostatic charge/discharge, electrochemical impedance spectroscopy, and scanning electron microscopy techniques. It was found that with an increase in Ru content in the binary oxide, the corresponding specific areal capacitance increased, reaching a maximum value of 338 ± 4 mF/cm2 at the current density of 3 mA/cm2 for the Ru0.6Bi0.4‐oxide composition, and then decreased with a further increase in Ru content. Ru0.6Bi0.4‐oxide was found to retain ~72% of its initial charge storage capacity after 5000 charging/discharging cycles at a high current density (200 mA/cm2). These results indicate that Ru0.6Bi0.4‐oxide exhibits excellent charge storage/delivery capabilities and could be a potential candidate for nanostructured electrode materials for supercapacitors.
Assessment of coverage error for two common commercial dental shade guides using a spectrophotometric method
Authors: Tabatabaian Farhad , Khezri Amir Saleh , Ourang Seyed AmirHossein , Namdari Mahshid 
Published: August 2021

AbstractThe purpose of this study was to assess the coverage error and the coverage error percentage for two common commercial dental shade guides named VITA classical A1‐D4 shade guide and VITA Toothguide 3D‐MASTER. Totally, 197 dental students with intact maxillary anterior teeth were randomly selected to participate in the study. CIELAB values of the teeth were measured with a spectrophotometer. The teeth matched shades were selected by using the spectrophotometer. ∆E00 and ∆E*ab color differences between the matched shades and the teeth shades were calculated. The mean ∆E00 and ∆E*ab values represented the coverage errors for the shade guides. The coverage error values were compared with the thresholds for perceptibility and acceptability using 1‐sample t test (α = 0.05). To calculate the coverage error percentages for the shade guides, a color matching error for the shade guides was considered when the color difference value was greater than the thresholds. For VITA classical shade guide, the coverage error was 3.0 ± 1.2 (∆E00) and 3.3 ± 1.3(∆E*ab) while the coverage error percentages ranged between 63.6% and 99.4%. For VITA 3D‐MASTER guide, the coverage error was 2.5 ± 1.3 (∆E00) and 2.9 ± 1.5 (∆E*ab) while the coverage error percentages ranged between 44.5% and 96.9%. Overall, the teeth were more reddish than their matched shades of the shade guides. Using these shade guides may cause inaccurate shade determination in the population studied due to their high coverage error and coverage error percentage values.
How Divalent Cations Interact with the Internal Channel Site of Guanine Quadruplexes
Authors: Zaccaria Francesco , van der Lubbe Stephanie C. C. , Nieuwland Celine , Hamlin Trevor A. , Fonseca Guerra Célia 
Published: August 2021

AbstractThe formation of guanine quadruplexes (GQ) in DNA is crucial in telomere homeostasis and regulation of gene expression. Pollution metals can interfere with these DNA superstructures upon coordination. In this work, we study the affinity of the internal GQ channel site towards alkaline earth metal (Mg2+, Ca2+, Sr2+, and Ba2+), and (post‐)transition metal (Zn2+, Cd2+, Hg2+, and Pb2+) cations using density functional theory computations. We find that divalent cations generally bind to the GQ cavity with a higher affinity than conventional monovalent cations (e. g. K+). Importantly, we establish the nature of the cation‐GQ interaction and highlight the relationship between ionic and nuclear charge, and the electrostatic and covalent interactions. The covalent interaction strength plays an important role in the cation affinity and can be traced back to the relative stabilization of cations’ unoccupied atomic orbitals. Overall, our findings contribute to a deeper understanding of how pollution metals could induce genomic instability.
A full‐duplex transceiver for 20‐Gbps high‐speed simultaneous bidirectional signaling across global on‐chip interconnections
Authors: Ebrahimi Jarihani Arash , Sturm Johannes , Tonello Andrea M. 
Published: August 2021

AbstractThis paper presents a high‐speed simultaneous bidirectional transceiver (SBT) for on‐chip wireline communications. A MOS hybrid transistor is utilized to split the received data from the superimposed signal at both ends of the on‐chip interconnection with the assistance of two drivers, namely main and auxiliary. Moreover, a high‐pass filter (HPF) is used as a differentiator to generate the echo cancelation signal. Consequently, the echo‐cancelation for simultaneous bidirectional signaling (SBS) is realized by the combination of the hybrid device and the differentiator. The proposed SBT has been designed and evaluated using 28‐nm CMOS technology over a narrow 5‐mm on‐chip interconnection, which possesses 11.9‐dB loss at the Nyquist frequency (half a bit rate). The energy‐efficiency of the proposed full‐duplex transceiver (FDT) for 20‐Gbps simultaneous bidirectional data transmission is 0.147 PJ/b/mm. The performance results show that the proposed SBT has better overall performance compared to the previous architectures reported in the literature to date. The layout of the presented SBT occupies a low area of 1574 μm2.
Prevalence and concentrations of new designer stimulants, synthetic opioids, benzodiazepines, and hallucinogens in postmortem hair samples: A 13‐year retrospective study
Authors: Niebel André , Westendorf Lena , Krumbiegel Franziska , Hartwig Sven , Parr Maria Kristina , Tsokos Michael 
Published: August 2021

AbstractHair samples are frequently analyzed in order to characterize consumption patterns of drugs. However, the interpretation of new psychoactive substance (NPS) findings in hair remains difficult because of lacking data for comparison. In this study, selected postmortem hair samples (n = 1203) from 2008 to 2020 were reanalyzed for synthetic cathinones, piperazines, phenethylamines, hallucinogens, benzodiazepines and opioids to evaluate prevalence data and concentration ranges. Hair samples were extracted using a two‐step extraction procedure and analyzed using a validated liquid chromatography–tandem mass spectrometry (LC–MS/MS) method. Overall NPSs were detected in 381 cases (31.6%). Many cases were tested positive for more than one NPS in the same time span. A variety of NPS with a large range of concentrations was observed. For better comparability and interpretation of positive cases in routine work, quantitation data for 13 NPS were calculated as percentiles. The most frequently detected NPS in this study were N‐ethylamphetamine, α‐pyrrolidinovalerophenone, mephedrone, benzedrone, metamfepramone, and 4‐fluoroamphetamine. In conclusion, a high prevalence of these drugs was observed from postmortem hair samples. The results show a growing use of many different NPSs by mainly young drug‐using adults. Consequently, NPS screening procedures should be included in forensic toxicology. Our quantitative data may support other toxicologists in their assessment of NPS hair concentrations.
Improving the climate change mitigation regime of major emitting countries: The case of South Africa, China, Germany and the United States of America
Authors: Abraham‐Dukuma Magnus C. , Dioha Michael O. , Okpaleke Francis N. , Bogado Natalia 
Published: August 2021

AbstractThe recent report (the Sixth Assessment Report of Working Group 1) of the Intergovernmental Panel on Climate Change clearly points to the urgency of global climate action. Optimal governance regimes are necessary for climate change mitigation in major greenhouse gas‐emitting countries and economic sectors. Given our study's domain, the ‘climate change governance’ concept suffices as our theoretical framework. Adopting comparative legal and policy analysis and the case study approach, we examine the climate governance regimes in four regional carbon‐intensive countries – South Africa, China, Germany, and the United States of America – with the primary objective of identifying areas for improving their regulatory capacity to mitigate climate change. Thus, we examine the relationship between climate policy goals/targets, the prevailing policy environment, and supportive strategies for achieving policy goals in our case study countries. Drawing on the climate governance literature, we adopt ‘target setting’, ‘supportive measures/strategies’, ‘comprehensiveness’, and ‘oversight body’ as the indices for our analysis. Our results reveal striking similarities and contrasts in the focus countries, signalling opportunities for improvements across different parameters. The study suggests the need for policy symmetry between governance (emissions reduction) goals and regime design elements such as proportional supportive strategies and comprehensive coverage of carbon‐intensive economy sectors. We also canvass the necessity of avoiding policy and institutional fragmentations that hamper the emergence of clear and well‐coordinated climate policy direction in countries. As climate change governance is now at a critical juncture, this study will significantly improve the regimes of our focus countries and other jurisdictions with similar peculiarities.
Chroman‐4‐one‐Based Amino Bidentate Ligand: An Efficient Ligand for Suzuki‐Miyaura and Mizoroki‐Heck Coupling Reactions in Aqueous Medium
Authors: Khan Danish , Parveen Iram 
Published: August 2021

AbstractA new family of phosphine‐free Amino‐chroman‐4‐one ((Z)‐2‐ethoxy‐3‐((phenylamino)methylene)chroman‐4‐one) bidentate ligands ware successfully synthesised and characterised. The bidentate ligand act as efficient catalyst with combination of Pd (II) salt in the C−C bond formation and exhibited excellent performance in the Suzuki‐Miyaura and Mizoroki‐Heck coupling reaction. A broad range of substrates, including heterocyclic, flavones, Isatin and sterically hindered coupling partner, were well tolerated under the optimized reaction conditions. Metal complex and all the intermediates were formed in the catalytic cycle were characterized by mass spectrometry to support the reaction mechanism.
Near‐infrared Responsive Photoelectrochemical Biosensors
Authors: Li Ting , Dong Hui , Hao Yuanqiang , Zhang Yintang , Chen Shu , Xu Maotian , Zhou Yanli 
Published: August 2021

AbstractNear‐infrared (NIR) light‐driven photoelectrochemical (PEC) sensing is a highly promising analytical technique, especially for in situ bioanalysis, due to the deep penetration capability and minimal invasiveness of NIR light. In this mini review, we provide a brief overview of recently developed NIR PEC sensors, focusing on NIR light‐responsive materials and the representative applications of this type of PEC sensor. Future perspectives for NIR PEC sensors are also described.
Autonomic cloud computing based management and security solutions: State‐of‐the‐art, challenges, and opportunities
Authors: Agrawal Neha 
Published: August 2021

AbstractThe advancements and rapid adoption of service oriented architecture, utility computing, virtualization, etc., have emerged in a new computing paradigm called cloud computing, in the last few years. Cloud computing enables on‐demand delivery of data, software, and hardware in the form of services over the Internet. But the growing scale of cloud‐users and type‐of‐services urge for an autonomous environment to automate the highly complex cloud environment in a suitable way to improve the overall management of the cloud systems. To counter these automation related issues, autonomic computing (AC) emerges as a potential solution to optimize the performance of cloud computing. The merge of these two prominent technologies gives rise to a new technological domain called autonomic cloud computing (ACC). In this survey article, the existing AC assisted solutions for cloud computing is broadly categorized into two groups, namely features based and parameters based. Features based solutions are further classified into management (of services, workload, and resources) and security aware solutions. Similarly, parameters based solutions are grouped into quality‐of‐service aware and performance management solutions. Finally, the comparative analysis of state‐of‐the‐art ACC approaches with respect to the approach referred, performance metrics, outcome, and the derived inference is also presented to have an in‐depth understanding of the existing literature. Overall, the work excites the research community to design the effective autonomous solutions for ACC resources and services. Additionally, several research gaps and challenges are identified and discussed in this article based on the study with a focus on the future research directions.