bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural insights at acidic pH of dye‐decolorizing peroxidase from Bacillus subtilis
Authors: Dhankhar Poonam , Dalal Vikram , Sharma Ashwani Kumar , Kumar Pravindra 
Published: November 2022

AbstractDye‐decolorizing peroxidases (DyPs), a type of heme‐containing oxidoreductase enzymes, catalyze the peroxide‐dependent oxidation of various industrial dyes as well as lignin and lignin model compounds. In our previous work, we have recently reported the crystal structures of class A‐type DyP from Bacillus subtilis at pH 7.0 (BsDyP7), exposing the location of three binding sites for small substrates and high redox‐potential substrates. The biochemical studies revealed the optimum acidic pH for enzyme activity. In the present study, the crystal structure of BsDyP at acidic pH (BsDyP4) reveals two‐monomer units stabilized by intermolecular salt bridges and a hydrogen bond network in a homo‐dimeric unit. Based on the monomeric structural comparison of BsDyP4 and BsDyP7, minor differences were observed in the loop regions, that is, LI (Ala64‐Gln71), LII (Glu96‐Lys108), LIII (Pro117‐Leu124), and LIV (Leu295‐Asp303). Despite these differences, BsDyP4 adopts similar heme architecture as well as three substrate‐binding sites to BsDyP7. In BsDyP4, a shift in Asp187, heme pocket residue discloses the plausible reason for optimal acidic pH for BsDyP activity. This study provides insight into the structural changes in BsDyP at acidic pH, where BsDyP is biologically active.
Balloon pulmonary angioplasty for chronic thromboembolic pulmonary hypertension concomitant with Klippel–Trenaunay–Weber syndrome
Authors: Suetomi Takeshi , Shimokawahara Hiroto , Sugiyama Yoichi , Miyagi Ayane , Ogawa Aiko , Nishizaki Mari , Matsubara Hiromi 
Published: November 2022

AbstractKlippel–Trenaunay–Weber syndrome (KTWS) is a rare congenital disorder characterized by cutaneous capillary malformations, bone hypertrophy, and multiple venous or lymphatic malformations. KTWS is associated with chronic thromboembolic pulmonary hypertension (CTEPH), presumably due to thromboembolism from multiple vascular malformations. Here, we report the first case series of patients with KTWS‐CTEPH who underwent balloon pulmonary angioplasty (BPA). Both patients are alive 20 years and 1 year after the initial diagnosis of CTEPH, respectively, and are stable with improved hemodynamics. BPA may be an effective treatment option for patients with KTWS‐CTEPH.
Realizing Li−S Batteries with Efficient Polysulfide Trapping and Conversion by using a High‐Nitrogen‐Content‐Doped Fe−N−C Porous Carbon Nanosheet‐Modified Separator
Authors: Huang Qigang , Xu Jie , Fang Minxiang , Ma Lianbo , Cao Yongjie , Fan Chuanjie , Hu Shuozhen , Zhang Xinsheng , Niu Dongfang 
Published: November 2022

AbstractLithium‐sulfur (Li−S) batteries with high theoretical energy density have earned much attention in recent years. Nevertheless, the shuttle effect and tardy conversion of polysulfides severely hinder their practical applications. Herein, the high‐nitrogen‐doped Fe−N−C porous carbon nanosheets (denoted as AT−Fe−N−C−Me) were synthesized and coated on separator as an effective electrocatalyst for Li−S batteries. Benefiting from the hierarchical porous carbon structure and rich Fe−Nx catalytic sites, the AT−Fe−N−C−Me coating layer can effectively suppress the polysulfides shuttling and promote their redox conversion simultaneously. As a result, the Li−S batteries with AT−Fe−N−C−Me modified separators deliver superior rate capability (785.5 mAh g−1 at 4.0 C) and cycling stability (capacity decay rate of 0.065 % per cycle over 1000 cycles at 1.0 C). This work provides a new strategy to design efficient electrocatalyst with high‐surface‐area porous structure for high‐performance Li−S batteries.
Enhanced Photocatalytic Degradation of RhB by Plasmonic Type‐II Ag/Ag2MoO4/BiOI Heterojunction
Authors: Zhou Yi , Zhou Yinghong , Chen Anna , Zhang Jin 
Published: November 2022

AbstractIn this study, an Ag/Ag2MoO4/BiOI photocatalyst was prepared through simple hydrothermal method and precipitation method. The as‐prepared Ag/Ag2MoO4/BiOI composites display a hierarchical flower‐like microsphere structure. The results show that under the irradiation of visible light, the AB‐60 (Ag2MoO4/BiOI ratio is 60 %) composite photocatalyst has the best degradation rate of 99.4 % for Rhodamine B (RhB), which is 3.17 times and 7.55 times higher than that of Ag2MoO4 and BiOI, respectively. Based on the capture experiment of active species, the possibility type‐II mechanism was proposed. Through the analysis of the photocatalytic mechanism, the significant improvement in photocatalytic performance was attributed to the effective separation of electron‐hole pairs caused by the formation of heterojunction and the enhancement of visible light absorption because of SPR effect. This study could provide an important perspective for heterojunction photocatalysts in environmental governance.
A Sensitive Fluorescent Probe with Large Stokes Shift for Real‐Time Tracking Lysosomal pH Changes in Live Cells
Authors: Li Siyuan , Yu Xianrong , Zeng Linlin , Xu Yuhan , Zhao Xiaolan , Tang Wei , Duan Xinrui 
Published: November 2022

AbstractThe lysosome is the typical acidic organelle involved in many biological processes, the fluctuation of its pH influences its normal digestive function and even the fate of the cells. To conveniently detect and visualize lysosomal pH changes during heatstroke, we designed and synthesized a lysosomal‐targeted ratiometric pH‐sensitive fluorescent probe TCF‐LysopH. TCF‐LysopH showed an ideal pKa value (pKa=6.12) in the lysosomal pH range during heatstroke (5.00–7.00), rapid response for the changes of pH in real‐time, reversible pH switching ability, good selectivity, low cytotoxicity, and excellent lysosome‐targeting ability. The large Stokes shift of 110 nm allows us to apply the probe for fluorescence imaging in MCF‐7 cells. The probe has much better photostability (only less than 20 % decrease in intensity for 15 min irradiation) than LysoTracker Green. The fluorescence intensity became higher with the increase of pH, which is consistent with the tendency of the lysosomal pH change during heatstroke. Importantly, TCF‐LysopH was applied to measure the change of lysosomal pH during heatstroke in live cells, the results prove once again that the pH of the lysosome is increased during heatstroke. Thus, TCF‐LysopH was successfully developed as a practical and useful tool to provide a better understanding of the complicated mechanisms between lysosome pH change and heatstroke.
Enabling Increased Delithiation Rates in Silicon‐Based Anodes through Alloying with Phosphorus
Authors: Huld Frederik T. , Lai Samson Y. , Tucho Wakshum M. , Batmaz Rasim , Jensen Ingvild T. , Lu Song , Eleri Obinna E. , Koposov Alexey Y. , Yu Zhixin , Lou Fengliu 
Published: November 2022

AbstractThe capability of battery materials to deliver not only high lithium storage capacity, but also the ability to operate at high charge/discharge rates is an essential property for development of new batteries. In the present work, the influence on the charge/discharge rate behaviour of substoichiometric concentrations of phosphorus (P) in silicon (Si) nanoparticles was studied. The results revealed an increase in rate capability as a function of the P concentration between 0 and 5.2 at %, particularly during delithiation. The stoichiometry of the nanoparticles was found to strongly affect the formation of the Li3.5Si phase during lithiation. Cyclic stability experiments demonstrated an initial increase in capacity for the SiPx materials. Galvanostatic intermittent titration technique and electrochemical impedance spectroscopy demonstrated the increased lithium diffusivity with inclusion of P. Density functional theory and ab initio molecular dynamics were deployed to provide a rationale for the electrochemical behaviour of SiPx.
Halogenation of Unsaturated Amides: Synthesis of Halogenated (Spiro)Oxazolines
Authors: Wang Xueqing , Chen Xuerong , Qi Liang , Ma Xingyu , Zhou Yifeng , Jiang Xianxing , Zhu Weiwei 
Published: November 2022

AbstractCarbon‐halogen (F, Cl, Br, I) bond was constructed through halogenation of unsaturated amides using electrophilic halogen reagents as oxidant and halogen source. Various halogenated 2‐oxazolines (85 examples) and spirooxazolines (43 examples) were synthesized in high to excellent yields (up to 99 % isolated yield) through the mild, metal‐free and efficient halogenation reaction. This method provided an alternative method for construction of carbon‐halogen bond in organic synthesis, as well as synthesis of halogenated (spiro)2‐oxazoline derivatives. The reaction follows an “intermolecularly electrophilic addition/intramolecularly nucleophilic attack” cascade according to the supposed mechanism.
Reducing Water Exchange by Polyacrylic Acid Based Water‐Vapor‐Resistant Membrane in Zinc/Air Battery
Authors: Jing Ziheng , Yan Zhao , Wang Xueliang , Che Ruxin , Wang Erdong 
Published: November 2022

AbstractZinc/air batteries have received extensive attention due to their low cost, high safety, and high energy density. However, as the zinc/air battery is operated in the practical environment, water exchange between the battery and the environment occurs and affects the specific capacity and service life of the battery. In this paper, high relative‐humidity water‐vapor‐resistant membrane is prepared based on water‐absorbent polyacrylic acid. Using this membrane, water exchange is effectively reduced due to the decreased humidity gradient through gas diffusion electrode. When the thickness of the PAA wet film is 150 μm, the water vapor transmission rate (WVTR) reduced to 51 % of the blank. The excellent discharge performance of zinc/air battery is also achieved with the discharge voltage plateau of 1.10 V and the specific capacity of 612.5 mAh g−1 under the current density of 20 mA cm−2, which is 33.8 % higher than that without PAA membrane.
Reactive Detection of Hydrazine by 6‐Hydroxy‐2‐Naphthonitrile Levulinate Anchored Colorimetric and Fluorescent Probe
Authors: Thakare Milind S. , Patil Dipak B. , Patil Jayashree V. , Kokate Siddhant V. , Pawar Nilesh S. , Patil Vikas 
Published: November 2022

AbstractHerein, a new reaction‐based fluorescent probe 6‐cyanonaphthalen‐2‐yl 4‐oxopentanoate (NPCN‐OLV) was designed and synthesized for the detection of hydrazine (N2H4). The addition of N2H4 to a solution of probe NPCN‐OLV resulted in a striking fluorescence increase, moreover, it is complemented by a visual color change from colorless to yellow. Importantly, this distinct color response indicates that probe NPCN‐OLV could be implemented as a colorimetric tool for the recognition of N2H4. N2H4 can be detected quantitatively. The lower detection limit for the N2H4 is 5 μM where actual fluorescence observed and gradually increased with concentration. The probe NPCN‐OLV served the selective visible naked‐eye sensing of hydrazine in the presence of representative metal ions and common anions. Along with that we have also demonstrated the use of paper strip for the qualitative detection of hydrazine, which showed an evident color change (sky blue) only with the paper strip with hydrazine in PBS buffer.
Organocatalytic Synthesis and DFT Study of Versatile Biologically Active Scaffold of Isatylidene Malononitrile Derivatives
Authors: Kaur Sukhmeet , Kaur Jasneet , Islam Nasarul , Anand Amit 
Published: November 2022

Abstract1,8‐Diazabicyclo[5.4.0]undec‐7‐ene (DBU) efficiently catalyzed the Michael addition reaction of pyridine derivatives with isatylidene malononitrile derivatives to provide adducts in 88 % yield. The electronic and structural properties of the derivatives were estimated using the DFT calculations.
Acupuncture Needle‐Based Transistor Neuroprobe for In Vivo Monitoring of Neurotransmitter
Authors: Zhou Ying , Liu Binzhu , Lei Yongmin , Tang Lina , Li Tingxian , Yu Shanshan , Zhang Guo‐Jun , Li Yu‐Tao 
Published: November 2022

AbstractChemical communication via neurotransmitters is central to brain functions. Nevertheless, in vivo real‐time monitoring of neurotransmitters released in the brain, especially the electrochemically inactive molecules, remains a great challenge. In this work, a novel needle field‐effect transistor (FET) microsensor based on an acupuncture needle is proposed, which is demonstrated to be capable of real‐time monitoring dopamine molecules as well as neuropeptide Y in vivo. The FET microstructure is fabricated by successively wrapping an insulating layer and a gold layer on the top of the needle, where the needle and the Au served as the source and drain, respectively. After assembling reduced graphene oxide (RGO) between the source and drain electrodes, the specific aptamer is immobilized on the RGO, making this needle‐FET biosensor highly selective and sensitive to real‐time monitor neurotransmitters released from rat brain, even in a Parkinson's diseases model. Furthermore, the needle‐FET biosensor is applied to detect a variety of targets including hormones, proteins, and nucleic acid. By constructing a FET sensing interface on an acupuncture needle and implanting the sensor in a rat's brain for in vivo detection, this work provides a new sight in the FET domain and further expands the species of real‐time in vivo detection.
Surface Spin Enhanced High Stable NiCo2S4 for Energy‐Saving Production of H2 from Water/Methanol Coelectrolysis at High Current Density
Authors: Si Fengzhan , Liu Jianwen , Zhang Yan , Zhao Bin , Liang Yue , Wu Xuexian , Kang Xiaomin , Yang Xiaoqiang , Zhang Jiujun , Fu Xian‐Zhu , Luo Jing‐Li 
Published: November 2022

AbstractNickel based materials are promising electrocatalysts to produce hydrogen from water in alkaline media. However, the stability is of great challenge, limiting its practical material functions. Herein, a new technique for electro‐deposition flower‐like NiCo2S4 nanosheets on carbon‐cloth (CC@NiCo2S4) is proposed for energy‐saving production of H2 from water/methanol coelectrolysis at high current density by constructing array architectures and regulating surface magnetism. The optimized and fine‐tuned magnetism on the surface of the electrochemical in situ grown CC@NiCo2S4 nanosheet array result in (0 1 −1) surface universally exposed, high catalytic activity for methanol electrooxidation, and long‐term stability at high current density. X‐ray photoelectron spectroscopy in combination of density functional theory calculations confirm the valence electron states and spin of d electrons for the surface of NiCo2S4, which enhance the surface stability of catalysts. This technology may be utilized to alter the surface magnetism and increase the stability of Ni‐based electrocatalytic materials in general.
Analysis of waves in micropolar generalized thermoelastic plate with memory dependent derivatives
Authors: Kumar Sunil , Partap Geeta 
Published: November 2022

AbstractA new model has been framed for mathematical investigation of a micropolar thermoelastic plate with memory dependent derivatives (MDDs). The governing equations are expressed for the two‐dimensional (2‐D) case and simplified by using dimensionless quantities. The resulting equations are decomposed by considering the Helmholtz decomposition approach and the normal mode analysis technique is applied for further investigation. The normal mode analysis is a powerful technique that provides appropriate solutions with no assumptive restriction on the temperature, displacement and stress distributions. The dispersion equations for symmetric and anti‐symmetric modes are obtained for stress‐free isothermal and insulated thermal restrictions on the boundary surface of the plate. The characteristics of waves for symmetric and anti‐symmetric modes are examined under the impact of MDD and different classical and generalized theories of thermoelasticity. Numerical solutions of the dispersion equations for both symmetric and anti‐symmetric modes are presented graphically employing MATLAB programming software. Various particular cases are explored. The obtained results are also compared with some earlier studies.
Finding and Accessing Shakespeare Scholarship in the Global South: Digital Research and Bibliography
Authors: Craig Heidi , Estill Laura 
Published: November 2022

AbstractThere was a time when articles about Shakespeare were published around the globe, but few knew where to find them all. Shakespeare studies thrived in non-Anglophone countries in the Global South: articles appeared in regional journals, institutional bulletins, and society newsletters, each of which might have a publication run of only a few dozen copies. This chapter traces the move from regionalized Shakespeare publication to truly global publication. It considers how online publishing (including open journal systems and open-access publishing), institutional repositories, and digital bibliography make research from around the Globe findable. This chapter examines how the World Shakespeare Bibliography participates in global Shakespeare studies by making multilingual criticism, editions, and performances searchable.
A state-of-the-art review on mechanical characteristics of different fiber metal laminates for aerospace and structural applications
Authors: Etri Hamza El , Korkmaz Mehmet Erdi , Gupta Munish Kumar , Gunay Mustafa , Xu Jinyang 
Published: November 2022

AbstractThe reduction of weight elements is considered as a major objective of several manufacturing companies. This objective will help in growing application sections of the used fiber composites for important structural elements. Modern fiber metal laminate (FML) having lightweight properties is established to be used instead of other substances in different applications including those related to the aerospace industrial sector. Fiber metal laminate is being deemed as an alternative significant substance that is being extensively explored due to its operation, unlike other current materials. There are different profitable FML such as GLARE (glass-reinforced aluminum laminate), established on elevated intensity ARALL glass fibers (aramid-reinforced aluminum laminate), built on fibers of aramid, in addition to CARALL (carbon-reinforced aluminum laminate), centered on fibers of carbon. This paper analyzes important information that contributes to the mechanical characteristics of FMLs under tensile, flexure, impact, etc. conditions.
On the conformal walk dimension: quasisymmetric uniformization for symmetric diffusions
Authors: Kajino Naotaka , Murugan Mathav 
Published: November 2022

AbstractWe introduce the notion of conformal walk dimension, which serves as a bridge between elliptic and parabolic Harnack inequalities. The importance of this notion is due to the fact that, for a given strongly local, regular symmetric Dirichlet space in which every metric ball has compact closure (MMD space), the finiteness of the conformal walk dimension characterizes the conjunction of the metric doubling property and the elliptic Harnack inequality. Roughly speaking, the conformal walk dimension of an MMD space is defined as the infimum over all possible values of the walk dimension with which the parabolic Harnack inequality can be made to hold by a time change of the associated diffusion and by a quasisymmetric change of the metric. We show that the conformal walk dimension of any MMD space satisfying the metric doubling property and the elliptic Harnack inequality is two, and provide a necessary condition for a pair of such changes to attain the infimum defining the conformal walk dimension when it is attained by the original pair. We also prove a necessary condition for the existence of such a pair attaining the infimum in the setting of a self-similar Dirichlet form on a self-similar set, and apply it to show that the infimum fails to be attained for the Vicsek set and theN-dimensional Sierpiński gasket with$$N\ge 3$$N≥3, in contrast to the attainment for the two-dimensional Sierpiński gasket due to Kigami (Math Ann 340(4):781–804, 2008).
Seismic data IO and sorting optimization in HPC through ANNs prediction based auto-tuning for ExSeisDat
Authors: Tipu Abdul Jabbar Saeed , Conbhuí Pádraig Ó , Howley Enda 
Published: November 2022

AbstractExSeisDat is designed using standard message passing interface (MPI) library for seismic data processing on high-performance super-computing clusters. These clusters are generally designed for efficient execution of complex tasks including large size IO. The IO performance degradation issues arise when multiple processes try accessing data from parallel networked storage. These complications are caused by restrictive protocols running by a parallel file system (PFS) controlling the disks and due to less advancement in storage hardware itself as well. This requires and leads to the tuning of specific configuration parameters to optimize the IO performance, commonly not considered by users focused on writing parallel application. Despite its consideration, the changes in configuration parameters are required from case to case. It adds up to further degradation in IO performance for a large SEG-Y format seismic data file scaling to petabytes. The SEG-Y IO and file sorting operations are the two of the main features of ExSeisDat. This research paper proposes technique to optimize these SEG-Y operations based on artificial neural networks (ANNs). The optimization involves auto-tuning of the related configuration parameters, using IO bandwidth prediction by the trained ANN models through machine learning (ML) process. Furthermore, we discuss the impact on prediction accuracy and statistical analysis of auto-tuning bandwidth results, by the variation in hidden layers nodes configuration of the ANNs. The results have shown the overall improvement in bandwidth performance up to 108.8% and 237.4% in the combined SEG-Y IO and file sorting operations test cases, respectively. Therefore, this paper has demonstrated the significant gain in SEG-Y seismic data bandwidth performance by auto-tuning the parameters settings on runtime by using an ML approach.