bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elucidating the Charge Storage Mechanism on Ti3C2 MXene through In Situ Raman Spectroelectrochemistry
Authors: Johnson Denis , Hansen Kyle , Yoo Ray , Djire Abdoulaye 
Published: June 2022

AbstractCurrent climate issues can be partially remedied through the inclusion of renewable energy sources. However, these energy sources suffer from the need for highly efficient energy storage systems. To this end, studies have been conducted on developing energy storage materials that can provide high energy and power densities. Two‐dimensional (2D) carbide and nitride MXenes have the potential to provide both if their mechanism of charge storage is understood. Here, we use in situ/operando Raman spectroelectrochemistry to investigate in real time the charge storage mechanism of the benchmark Ti3C2 MXene in acidic and neutral media. We found that during charge/discharge cycling in acidic media, protons are pulled towards the surface, leading to a reversible reaction with the surface termination groups leading to a switch from −O− to −O(OH) to −O− chemistry, indicative of a pseudocapacitive mechanism. In neutral media, no pseudocapacitive behavior is observed and it is found that the material exhibits an electrostatic double layer charge storage mechanism through attracting sodium ions towards the surface for transient adsorption processes. Taking into consideration the mechanism we propose, the Ti3C2 MXene can exhibit a pseudocapacitance of 358 F/g within a voltage window of 1.35 V. Ultimately, these fundamental insights can be used to design electrode materials with both high energy and power densities.
Modeling Heme Peroxidase: Heme Saddling Facilitates Reactions with Hyperperoxides To Form High‐Valent FeIV‐Oxo Species
Authors: Wu Chang‐Quan , Wu Yi‐Wen , He Xuan‐Han , Hong Ruo‐Ting , Lee Hao‐Chien , Feng Kang‐Yen , Ping‐Yu Chen Peter 
Published: June 2022

AbstractSaddle‐shaped hemes have been discovered in the structures of most peroxidases. How such a macrocycle deformation affects the reaction of FeIII hemes with hydrogen peroxide (H2O2) to form high‐valent Fe‐oxo species remains uncertain. Through examination of the ESI‐MS spectra, absorption changes and 1H NMR chemical shifts, we investigated the reactions of two FeIII porphyrins with different degrees of saddling deformation, namely FeIII(OETPP)ClO4 (1OE) and FeIII(OMTPP)ClO4 (1OM), with tert‐butyl hydroperoxide (tBuOOH) in CH2Cl2 at −40 °C, which quickly resulted in O−O bond homolysis from a highly unstable FeIII‐alkylperoxo intermediate, FeIII‐O(H)OR (2) into FeIV‐oxo porphyrins (3). Insight into the reaction mechanism was obtained from [tBuOOH]‐dependent kinetics. At −40 °C, the reaction of 1OE with tBuOOH exhibited an equilibrium constant (Ka=362.3 M−1) and rate constant (k=1.87×10−2 sM−>1) for the homolytic cleavage of the 2 O−O bond that were 2.1 and 1.4 times higher, respectively, than those exhibited by 1OM (Ka=171.8 M−1 and k=1.36×10−2  s−1). DFT calculations indicated that an FeIII porphyrin with greater saddling deformation can achieve a higher HOMO ([Fe(d
,d
)‐porphyrin(a2u)]) to strengthen the orbital interaction with the LUMO (O−O bond σ*) to facilitate O−O cleavage.
High‐fidelity Recognition of Organotrifluoroborate Anions (R−BF3−) as Designer Guest Molecules
Authors: Sheetz Edward G. , Zhang Zhao , Marogil Alyssa , Che Minwei , Pink Maren , Carta Veronica , Raghavachari Krishnan , Flood Amar H. 
Published: June 2022

AbstractThe recognition of boron compounds is well developed as boronic acids but untapped as organotrifluoroborate anions (R−BF3−). We are exploring the development of these and other designer anions as anion‐recognition motifs by considering them as substituted versions of the parent inorganic ion. To this end, we demonstrate strong and reliable binding of organic trifluoroborates, R−BF3−, by cyanostar macrocycles that are size‐complementary to the inorganic BF4− progenitors. We find that recognition is modulated by the substituent's sterics and that the affinities are retained using the common K+ salts of R−BF3− anions.
Wideband hybrid microstrip patch antenna and gain improvement using frequency selective surface
Authors: Maity Smarajit , Tewary Tapas , Mukherjee Surajit , Roy Avisankar , Sarkar Partha Pratim , Bhunia Sunandan 
Published: June 2022

SummaryA wideband hybrid microstrip patch antenna with high bandwidth dimension ratio (BDR) is reported in this research work. The electrical dimension of the presented antenna is 0.268λ × 0.201λ × 0.01λ, where λ is the maximum operating wavelength of the antenna. The patch consists of one circle and four parallelograms overlapping with each other. The patch looks like a two dimensional “PINE TREE.” The fabricated antenna exhibits return loss less than −10 dB from 2 to 15.40 GHz with a percentage bandwidth of 154% and BDR of 2859. Also a peak gain of 3.3 dBi is achieved at 8 GHz. To improve the peak gain further over the entire frequency band, proposed antenna is combined with a mono layer stop band frequency selective surface (FSS). Without disturbing the original bandwidth, the antenna is mounted on top of 16 unit cell FSS arranged in of 4 × 4 matrix. When FSS is placed at a suitable minimum distance, maximum gain of 7.22 dBi is achieved by the combined structure. Physical dimension of the proposed FSS combined antenna is 64 × 64 × 35.2 mm, which is very much suitable for long range wireless applications. Both the antenna and the FSS are designed and simulated using Computer Simulation Technology (CST) software. Also it is fabricated on FR4 substrate. It has loss tangent (tan theta) of 0.02, dielectric constant of 4.4, and thickness of 1.6 mm. All the simulation results have been validated using Vector Network Analyzer (VNA). The measured results exhibit good compliance with the simulated results.
Mn/Cu Nanoparticles Modified Carbon Paste Electrode as a Novel Electrochemical Sensor for Nicotine Detection
Authors: Zaki M. , El Shafie Ezz , Abdel‐Gawad Soha A. , Fekry Amany M. , El‐Kamel Renad S. , Shehata M. 
Published: June 2022

AbstractA novel, cheap and economical electrochemical sensor for nicotine (NIC) revealing is prepared by setting down for Manganese/copper nanoparticles (Mn/Cu NPs) on the surface of carbon paste electrode (CPE). This sensor demonstrated good electrocatalytic activities to anodic oxidation of NIC in Potassium Phosphate Buffer solution (0.1 M) of pH range (4.0–10.0). The electrochemical description of MCMCPE is carried out by means of cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) techniques. Scanning electron microscope (SEM) and Energy Dispersive X‐Ray Analysis (EDX) techniques were utilized for studying the surface morphology. The developed sensor is found to show a linear response in the concentration range 2×10−6–6×10−4 M with a Limit of Detection (LOD) of 1.15×10−7 M. Furthermore, the sensor exhibits high sensitivity and stability for sensing NIC in urine and tobacco samples.
Ammonium ion pre‐intercalated manganese dioxide with hydrogen bond for high‐rate and stable zinc‐ion batteries
Authors: Wang Song , Zhao Xinqi , Chen Hao , Guo Jingdong , Liu Ruixiang , Yang De'an 
Published: June 2022

AbstractThe low‐cost and high‐safety zinc‐ion batteries (ZIBs) are expected to be promising alternatives of lithium‐ion batteries (LIBs). Nevertheless, sluggish kinetics and unstable structure of cathode lead to the low‐rate capability and poor cycling stability of ZIBs, which severely hinder their commercial application. Herein, a (NH4)xMnO2cathode with ammonium ions (NH4+) pre‐intercalation is reported. The NH4+ions with small molar mass expand the layer spacing, accelerating ion diffusion and act as “structural pillars”, preventing structural collapse. Moreover, hydrogen bond between NH4+and MnO2promotes the charge transfer and further stabilize the layered structure. Therefore, the (NH4)xMnO2cathode delivers a high specific capacity (228.7 mAh g−1at 0.3 A g−1), a superior high‐rate performance (122.5 mAh g−1at 3.0 A g−1), and an outstanding long‐term cycling stability without obvious capacity fading after 1500 cycles at 2.0 A g−1. This work provides a new perspective for future development of high‐performance ZIBs.image
Optimizing resources allocation in a heterogeneous cloud radio access network using machine learning
Authors: Shirmohamadi Mahdi , Bakhshi Hamidreza , Dosaranian‐Moghadam Mohamad 
Published: June 2022

AbstractIn this article, we propose an iterative algorithm based on lazy learning. The proposed scheme considers two consecutive algorithms for optimal resource allocation in heterogeneous cloud radio access networks (H‐CRAN). In the conventional approach, resources allocation is usually presented as a mathematical optimization problem and solved online using a real‐time scenario. Due to the non‐convex nature of resource allocation problems, finding optimal solutions in real‐time is a difficult challenge and has high computational complexity. To overcome these challenges in this paper, the problem is first formulated as a mixed‐integer nonlinear programming (MINLP) to optimize the system capacity and assign the underlay users to the subchannels, which is NP‐hard. To obtain the solution, in the first algorithm, the proposed problem is first reformulated as a convex problem using a matching theory and coalition formation method. Then, in the second algorithm, the lazy learning method is employed to find the optimal solution to the resources allocation problem. The lazy algorithm uses the output results of the first algorithm as training data, which are known as historical data. Similarities between current scenario data and historical scenario data, as well as the solution of resources allocation in historical scenarios, can be exploited to improve the resource allocation of the current scenario. Simulation results confirm that compared with the conventional approach, the suggested technique can significantly improve the system performance in terms of the total users assigned, overall throughput, the pace of resource allocation, and user fairness.
A supervised machine learning approach identifies gene‐regulating factor‐mediated competing endogenous RNA networks in hormone‐dependent cancers
Authors: Jayarathna Dulari K. , Rentería Miguel E. , Batra Jyotsna , Gandhi Neha S. 
Published: June 2022

AbstractCompeting endogenous RNAs (ceRNAs) have become an emerging topic in cancer research due to their role in gene regulatory networks. To date, traditional ceRNA bioinformatic studies have investigated microRNAs as the only factor regulating gene expression. Growing evidence suggests that genomic (e.g., copy number alteration [CNA]), transcriptomic (e.g., transcription factors [TFs]), and epigenomic (e.g., DNA methylation [DM]) factors can influence ceRNA regulatory networks. Herein, we used the Least absolute shrinkage and selection operator regression, a machine learning approach, to integrate DM, CNA, and TFs data with RNA expression to infer ceRNA networks in cancer risk. The gene‐regulating factors‐mediated ceRNA networks were identified in four hormone‐dependent (HD) cancer types: prostate, breast, colorectal, and endometrial. The shared ceRNAs across HD cancer types were further investigated using survival analysis, functional enrichment analysis, and protein–protein interaction network analysis. We found two (BUB1 and EXO1) and one (RRM2) survival‐significant ceRNA(s) shared across breast‐colorectal‐endometrial and prostate–colorectal–endometrial combinations, respectively. Both BUB1 and BUB1B genes were identified as shared ceRNAs across more than two HD cancers of interest. These genes play a critical role in cell division, spindle‐assembly checkpoint signalling, and correct chromosome alignment. Furthermore, shared ceRNAs across multiple HD cancers have been involved in essential cancer pathways such as cell cycle, p53 signalling, and chromosome segregation. Identifying ceRNAs' roles across multiple related cancers will improve our understanding of their shared disease biology. Moreover, it contributes to the knowledge of RNA‐mediated cancer pathogenesis.
Pediatric and adolescent COVID‐19 vaccination side effects: A retrospective cohort study of the Iranian teenage group in 2021
Authors: Tavakoli Nader , Nafissi Nahid , Shokri Sima , Fallahpour Morteza , Soleimani Sanaz , Riahi Taghi , Kalantari Saeed , Javan Alireza , Goodarzi Azadeh , Valizadeh Rohollah 
Published: June 2022

AbstractTo determine the safety and efficacy profile of teenager COVID‐19 vaccination. In this retrospective cohort study, contact numbers of parents of teenagers under 18 years of age referred to a teenager vaccination centers in Tehran‐Iran to receive the corona vaccine were collected, and the following information was obtained via the phones: demographic information, type of vaccine, and the number of doses received, as well as additional information like complications and required treatments. Eleven thousand forty‐two subjects aged 10−18 years, mean age 14.55 ± 1.83 year  including 5374 boys and 5768 girls were investigated. 88.1% received the Sinopharm and 11.9% the Soberana vaccine. General side effects, including fatigue, fever and chills, injection site pain and dizziness, and so forth happened in 2978 cases; 7421 children presented with at least one general or organ‐specific side effect following vaccination, including potentially critical side effects, such as vascular injuries, respiratory complication, and so forth. 0.1% of the subject needed hospital admission. The breakthrough infection happened in 200 individuals. Our study shows that Sinopharm and Soberana (PastoCoVac) COVID‐19 vaccines are generally safe with no serious side effects in less than 18 years old. COVID‐19 infection and reinfection can occur after vaccination, but the incidence is actually tolerable and significantly lower than in the unvaccinated group.
Combined effects of yacon flour and probiotic yogurt on the metabolic parameters and inflammatory and insulin signaling proteins in high‐fat‐diet‐induced obese mice
Authors: de Abreu Ribeiro Pereira Juciane , de Fátima Píccolo Barcelos Maria , Valério Villas Boas Eduardo , Hilsdorf Píccoli Roberta , de Sales Guilarducci Janina , Corrêa Pereira Rafaela , Pauli José Rodrigo , Batista Ferreira Eric , Cardoso de Angelis‐Pereira Michel , Esper Cintra Dennys 
Published: June 2022

AbstractBACKGROUNDPrebiotics and probiotics may be effective dietary components that can alter the gut microbiota of the host and, consequently, overcome imbalances associated with obesity. This work aimed to evaluate the synergistic and isolated effects and mechanisms by which probiotic yogurt containing Bifidobacterium animalis and/or Lactobacillus acidophilus and yacon flour alter metabolic parameters and inflammatory and insulin signaling proteins in diet‐induced obese mice. Swiss mice were fed a high‐fat diet (n = 48) or a standard diet (control; n = 6) for 56 days. The 42 mice that gained the most weight were selected and divided into seven groups that received different combinations of probiotic yogurt and yacon flour. After 30 days, biochemical parameters (blood glucose, serum total cholesterol, and triacylglycerols), crude fat excretion in feces, and periepididymal fat were assessed and an immunoblotting analysis of insulin signaling proteins and interleukin‐1β was conducted.RESULTSThe combination of yacon flour and a yogurt with two strains of probiotics exerted positive effects on the parameters evaluated, such as decreased body weight (−6.5%; P < 0.05), fasting glucose (−23.1%; P < 0.05), and triacylglycerol levels (−21.4%; P < 0.05) and decreased periepididymal fat accumulation (−44.2%; P < 0.05). There was a decrease in inflammatory markers (P < 0.001) and an improvement in insulin signaling (P < 0.001).CONCLUSIONSThe combination of a prebiotic with two strains of probiotics in a food matrix may exert a protective effect against obesity‐associated inflammation, improving insulin resistance, even in the short term. © 2022 Society of Chemical Industry.
Native top‐down mass spectrometry for higher‐order structural characterization of proteins and complexes
Authors: Liu Ruijie , Xia Shujun , Li Huilin 
Published: June 2022

AbstractProgress in structural biology research has led to a high demand for powerful and yet complementary analytical tools for structural characterization of proteins and protein complexes. This demand has significantly increased interest in native mass spectrometry (nMS), particularly native top‐down mass spectrometry (nTDMS) in the past decade. This review highlights recent advances in nTDMS for structural research of biological assemblies, with a particular focus on the extra multi‐layers of information enabled by TDMS. We include a short introduction of sample preparation and ionization to nMS, tandem fragmentation techniques as well as mass analyzers and software/analysis pipelines used for nTDMS. We highlight unique structural information offered by nTDMS and examples of its broad range of applications in proteins, protein‐ligand interactions (metal, cofactor/drug, DNA/RNA, and protein), therapeutic antibodies and antigen‐antibody complexes, membrane proteins, macromolecular machineries (ribosome, nucleosome, proteosome, and viruses), to endogenous protein complexes. The challenges, potential, along with perspectives of nTDMS methods for the analysis of proteins and protein assemblies in recombinant and biological samples are discussed.
Intra‐Action in a Central Australian Community Development Project
Authors: Anderson Drew 
Published: June 2022

ABSTRACTService providers commonly understand development projects in Indigenous Australia to play out at the intersection of a pre‐existing binary between Indigenous and non‐Indigenous groups. It follows that effective development practice is seen to depend on building partnerships across the ‘intercultural’ divide. Instead of taking this assumption as a baseline from which analysis proceeds, I draw on Karen Barad's theory of ‘intra‐action’ to show how an Indigenous/non‐Indigenous binary is continually produced in the context of a development NGO working in Central Australia. Based on fieldwork as a volunteer within this NGO, I demonstrate how the ‘intra‐action’ of community development process produces forms of difference and relatedness for non‐Indigenous NGO staff, and for the Aboriginal community. I argue that in spite of calls for deeper engagements, the community development apparatus continually performs separateness as the ethical framework on which the project proceeds. The paper contributes to debates around ‘intercultural’ anthropology and presents a non‐normative account of development practice in Australia.
Aromaticity at position 39 in α‐synuclein: A modulator of amyloid fibril assembly and membrane‐bound conformations
Authors: Buratti Fiamma A. , Boeffinger Nicola , Garro Hugo A. , Flores Jesica S. , Hita Francisco J. , Gonçalves Phelippe do Carmo , Copello Federico dos Reis , Lizarraga Leonardo , Rossetti Giulia , Carloni Paolo , Zweckstetter Markus , Outeiro Tiago F. , Eimer Stefan , Griesinger Christian , Fernández Claudio O. 
Published: June 2022

AbstractRecent studies revealed that molecular events related with the physiology and pathology of αS might be regulated by specific sequence motifs in the primary sequence of αS. The importance of individual residues in these motifs remains an important open avenue of investigation. In this work, we have addressed the structural details related to the amyloid fibril assembly and lipid‐binding features of αS through the design of site‐directed mutants at position 39 of the protein and their study by in vitro and in vivo assays. We demonstrated that aromaticity at position 39 of αS primary sequence influences strongly the aggregation properties and the membrane‐bound conformations of the protein, molecular features that might have important repercussions for the function and dysfunction of αS. Considering that aggregation and membrane damage is an important driver of cellular toxicity in amyloid diseases, future work is needed to link our findings with studies based on toxicity and neuronal cell death.Brief statement outlining significanceModulation by distinct sequential motifs and specific residues of αS on its physiological and pathological states is an active area of research. Here, we demonstrated that aromaticity at position 39 of αS modulates the membrane‐bound conformations of the protein, whereas removal of aromatic functionality at position 39 reduces strongly the amyloid assembly in vitro and in vivo. Our study provides new evidence for the modulation of molecular events related with the physiology and pathology of αS.
Site‐directed mutagenesis of Serine‐72 reveals the location of the fructose 6‐phosphate regulatory site of the Agrobacterium tumefaciensADP‐glucose pyrophosphorylase
Authors: Alghamdi Mashael A. , Hussien Rania A. , Zheng Yuanzhang , Patel Hiral P. , Asencion Diez Matías D. , A. Iglesias Alberto , Liu Dali , Ballicora Miguel A. 
Published: June 2022

AbstractThe allosteric regulation of ADP–glucose pyrophosphorylase is critical for the biosynthesis of glycogen in bacteria and starch in plants. The enzyme from Agrobacterium tumefaciens is activated by fructose 6‐phosphate (Fru6P) and pyruvate (Pyr). The Pyr site has been recently found, but the site where Fru6P binds has remained unknown. We hypothesize that a sulfate ion previously found in the crystal structure reveals a part of the regulatory site mimicking the presence of the phosphoryl moiety of the activator Fru6P. Ser72 interacts with this sulfate ion and, if the hypothesis is correct, Ser72 would affect the interaction with Fru6P and activation of the enzyme. Here, we report structural, binding, and kinetic analysis of Ser72 mutants of the A. tumefaciens ADP‐glucose pyrophosphorylase. By X‐ray crystallography, we found that when Ser72 was replaced by Asp or Glu side chain carboxylates protruded into the sulfate‐binding pocket. They would present a strong steric and electrostatic hindrance to the phosphoryl moiety of Fru6P, while being remote from the Pyr site. In agreement, we found that Fru6P could not activate or bind to S72E or S72D mutants, whereas Pyr was still an effective activator. These mutants also blocked the binding of the inhibitor AMP. This could potentially have biotechnological importance in obtaining enzyme forms insensitive to inhibition. Other mutations in this position (Ala, Cys, and Trp) confirmed the importance of Ser72 in regulation. We propose that the ADP‐glucose pyrophosphorylase from A. tumefaciens have two distinct sites for Fru6P and Pyr working in tandem to regulate glycogen biosynthesis.
Electronic Modulation of Ru Nanosheet by d–d Orbital Coupling for Enhanced Hydrogen Oxidation Reaction in Alkaline Electrolytes
Authors: Li Yunbo , Yang Chaoyi , Ge Chuangxin , Yao Na , Yin Jinlong , Jiang Wenyong , Cong Hengjiang , Cheng Gongzhen , Luo Wei , Zhuang Lin 
Published: June 2022

AbstractThe alkaline polymer electrolyte fuel cells (APEFCs) hold great promise for using nonnoble metal‐based electrocatalysts toward the cathodic oxygen reduction reaction (ORR), but are hindered by the sluggish anodic hydrogen oxidation reaction (HOR) in alkaline electrolytes. Here, a strategy is reported to promote the alkaline HOR performance of Ru by incorporating 3d‐transition metals (V, Fe, Co, and Ni), where the conduction band minimum (CBM) level of Ru can be rationally tailored through strong d–d orbital coupling. As expected, the obtained RuFe nanosheet exhibits outstanding HOR performance with the mass activity of 233.46 A gPGM−1and 23‐fold higher than the Ru catalyst, even threefold higher than the commercial Pt/C. APEFC employing this RuFe as anodic catalyst gives a peak power density of 1.2 W cm−2, outperforming the documented Pt‐free anodic catalyst‐based APEFCs. Experimental results and density functional theory calculations suggest the enhanced OH‐binding energy and reduced formation energy of water derived from the downshifted CBM level of Ru contribute to the enhanced HOR activity.