bluuebunny/crossref_metadata_2025 huggingface dataset:
Research on Self-Aligning Flanges Based on Piezoelectric Actuators Applied to Precision Grinding Machines
Authors: Huang Xuepeng , Wang Zhenzhong , Shen Bingyi , Lei Pengli
Published: November 2021

Laser fusion research requires a large number of high-precision large-diameter aspherical components. To improve the grinding efficiency in the component production process, the manual operation time during the grinding process needs to be reduced. The grinding process requires the installation of the dressed grinding wheel onto the grinding machine spindle, and the off-line dressing results in installation errors during the loading and unloading process, which requires more time for manual alignment. To achieve self-aligning, the circumferential contour of the grinding wheel was first restored by the reversal method, then noise reduction and circle fitting were performed to obtain the eccentricity value and eccentricity position between the flange and the spindle, and finally, the flange was adjusted finely by three piezoelectric actuators installed inside the flange to reduce the eccentricity. Three repetitive experiments were conducted to verify that the self-aligning flange can reduce the eccentricity value by retracting the piezoelectric actuators so that the proper alignment between the flange and the spindle could meet the requirements; the average eccentricity value of the three experiments decreased by 74%, which greatly improved the efficiency of the grinding wheel alignment.
A Layer-Dependent Analytical Model for Printability Assessment of Additive Manufacturing Copper/Steel Multi-Material Components by Directed Energy Deposition
Authors: Zhang Wenqi , Zhang Baopeng , Xiao Haifeng , Yang Huanqing , Wang Yun , Zhu Haihong
Published: November 2021

Copper/steel bimetal, one of the most popular and typical multi-material components (MMC), processes excellent comprehensive properties with the high strength of steel and the high thermal conductivity of copper alloy. Additive manufacturing (AM) technology is characterized by layer-wise fabrication, and thus is especially suitable for fabricating MMC. However, considering both the great difference in thermophysical properties between copper and steel and the layer-based fabrication character of the AM process, the optimal processing parameters will vary throughout the deposition process. In this paper, we propose an analytical calculation model to predict the layer-dependent processing parameters when fabricating the 07Cr15Ni5 steel on the CuCr substrate at the fixed layer thickness (0.3 mm) and hatching space (0.3 mm). Specifically, the changes in effective thermal conductivity and specific heat capacity with the layer number, as well as the absorption rate and catchment efficiency with the processing parameters are considered. The parameter maps predicted by the model have good agreement with the experimental results. The proposed analytical model provides new guidance to determine the processing windows for novel multi-material components, especially for the multi-materials whose physical properties are significantly different.
Numerical Evaluation and Experimental Test on a New Giant Magnetostrictive Transducer with Low Heat Loss Design
Authors: Bai Zhuan , Zhang Zonghe , Wang Ju , Sun Xiaoqing , Hu Wei
Published: November 2021

Giant magnetostrictive transducer with micro and nano precision has a wide application prospect in the field of remote sensing. However, excessive heat loss of components could generate during the energy conversion and transfer from electric energy to magnetic energy, and magnetic energy to mechanical energy, thereby affecting its long-term service and also reducing energy utilization. In this paper, a new magnetostrictive transducer is proposed and its excitation coil, internal and external magnetic circuit are optimized from the perspective of reducing heat loss. With the help of theoretical and finite element analysis, the response law between key parameters and heat loss of key components are summarized, which provides a basis for reducing heat loss. Finally, according to the optimization scheme, the prototype is processed, and the temperature rise and dynamic output performance of the transducer are tested by constructing an experimental setup. The results show that the transducer has a low temperature rise and good frequency response characteristics, which can provide support for long-time precise actuation on-orbit.
Performance Assessment of Thermoelectric Generators with Application on Aerodynamic Heat Recovery
Authors: Jia Xiaodong , Fan Shifa , Zhang Zhao , Wang Hongbiao
Published: November 2021

Based on thermoelectric generators (TEGs), an aerodynamic heat energy recovery system for vehicle is proposed. A mathematical model describing the energy conversion law of the system is established, and the integrated calculation method which combined aerodynamic heating and thermoelectric (TE) conversion is given. Furthermore, the influences of the typical flight Mach number, flight altitudes and the length of TE legs on the energy conversion behavior of energy recovery systems are investigated. The performance of the energy recovery system is analyzed and evaluated. The results show that, the decrease of flight altitude and the increase of Mach number will obviously improve the performance of the heat energy recovery system with TEGs. The increase of leg length will increase the temperature of the hot end of TEGs and reduce the heat absorbed at the hot end. When the external load, Mach number and flight altitude is fixed, there exists an optimal length of legs corresponding to the maximum output power and maximum conversion efficiency of the system. The results will have significant positive impact on thermal protection and management of supersonic/hypersonic vehicles.
Radiation Hardness Property of Ultra-Fast 3D-Trench Electrode Silicon Detector on N-Type Substrate
Authors: Liu Manwen , Li Xinqing , Cheng Wenzheng , Li Zheng , Li Zhihua
Published: November 2021

The radiation fluence of high luminosity LHC (HL-LHC) is predicted up to 1 × 1016 1 MeV neq/cm2 in the ATLAS and CMS experiments for the pixel detectors at the innermost layers. The increased radiation leads to the degradation of the detector properties, such as increased leakage current and full depletion voltage, and reduced signals and charge collection efficiency, which means it is necessary to develop the radiation hard semiconductor devices for very high luminosity colliders. In our previous study about ultra-fast 3D-trench electrode silicon detectors, through induced transient current simulation with different minimum ionizing particle (MIP) hitting positions, the ultra-fast response times ranging from 30 ps to 140 ps were verified. In this work, the full depletion voltage, breakdown voltage, leakage current, capacitance, weighting field and MIP induced transient current (signal) of the detector after radiation at different fluences will be simulated and calculated with professional software, namely the finite-element Technology Computer-Aided Design (TCAD) software frameworks. From analysis of the simulation results, one can predict the performance of the detector in heavy radiation environment. The fabrication of pixel detectors will be carried out in CMOS process platform of IMECAS based on ultra-pure high resistivity (up to 104 ohm·cm) silicon material.
Physical and Electrical Analysis of Poly-Si Channel Effect on SONOS Flash Memory
Authors: Jeong Jun-Kyo , Sung Jae-Young , Ko Woon-San , Nam Ki-Ryung , Lee Hi-Deok , Lee Ga-Won
Published: November 2021

In this study, polycrystalline silicon (poly-Si) is applied to silicon-oxide-nitride-oxide-silicon (SONOS) flash memory as a channel material and the physical and electrical characteristics are analyzed. The results show that the surface roughness of silicon nitride as charge trapping layer (CTL) is enlarged with the number of interface traps and the data retention properties are deteriorated in the device with underlying poly-Si channel which can be serious problem in gate-last 3D NAND flash memory architecture. To improve the memory performance, high pressure deuterium (D2) annealing is suggested as a low-temperature process and the program window and threshold voltage shift in data retention mode is compared before and after the D2 annealing. The suggested curing is found to be effective in improving the device reliability.
Rare Earth Elements Enrichment in the Upper Eocene Tošići-Dujići Bauxite Deposit, Croatia, and Relation to REE Mineralogy, Parent Material and Weathering Pattern
Authors: Tomašić Nenad , Čobić Andrea , Bedeković Matija , Miko Slobodan , Ilijanić Nikolina , Gizdavec Nikola , Matošević Mario
Published: November 2021

Tošići-Dujići bauxite deposit, situated in Dalmatian inlands, Croatia, contains minor remaining bauxite reserves. The deposit lies on Lower Eocene foraminiferal limestone and is covered by Upper Eocene Promina sediments. Bauxite samples were analyzed for textural, mineralogical, and geochemical features in order to determine absolute REE abundances and their relation to mineralogy, as well as to devise the origin of REE enrichment and to trace weathering and bauxitization paths of the parent material. The samples show total REE abundances up to 3500 mg/kg with significant HREE enrichment in some cases. All samples are gibbsitic with hematite and anatase as major phases. Kaolinite occurs in most of the samples, and goethite, böhmite, and nordstrandite are minor phases. Monazite-(Ce) and xenotime-(Y) were identified as detrital REE minerals as well as authigenic florencite-(Ce). In the REE most abundant sample, REE are most likely bound to Fe- and Ti-oxide phases as suggested by correlation analysis. Chemical weathering proxies show intensive weathering. Geochemical and textural data imply that the REE enrichment is influenced by intensive weathering (CIA 97.87–99.26) of detrital material, and also by possible deposition/redeposition of residual material potentially derived and mobilized from various sedimentary rocks of the area.
Identifying Appropriate Locations for the Accelerated Weathering of Limestone to Reduce CO2 Emissions
Authors: Kirchner Julia S. , Lettmann Karsten A. , Schnetger Bernhard , Wolff Jörg-Olaf , Brumsack Hans-Jürgen
Published: November 2021

The reduction in CO2 emissions is a major task for the coming decades. Accelerated weathering of limestone (AWL) can be used to capture CO2 from effluent gas streams and store it as bicarbonate in marine environments. We give an overview of the fundamental aspects of AWL, including associated CO2 emissions during the operation of AWL, characteristics of the accumulating bicarbonate-rich product water, and factors influencing the outgassing of CO2 from the ocean back into the atmosphere. Based on these aspects, we identify locations where AWL could be carried out favorably. The energy demand for AWL reduces the theoretical CO2 sequestration potential, for example, by only 5% in the case of a 100 km transport of limestone on roads. AWL-derived product water is characterized by high alkalinity but low pH values and, once in contact with the atmosphere, passive outgassing of CO2 from AWL-derived water occurs. This process is mainly driven by the difference between the fCO2 in the atmosphere and the oceanic surface layer, as well as the sea surface temperature at the discharge site. Promising sites for AWL may be in Florida or around the Mediterranean Sea, where outgassing could be prevented by injections into deep water layers.
Petrography and Geochemistry of the Leucocratic Rocks in the Ophiolites from the Pollino Massif (Southern Italy)
Authors: Rizzo Giovanna , Buccione Roberto , Paternoster Michele , Laurita Salvatore , Bloise Luigi , Calabrese Egidio , Sinisi Rosa , Mongelli Giovanni
Published: November 2021

In the Tethyan realm, leucocratic rocks were recognized as dikes and layers outcropping in the ophiolitic rocks of the Western Alps, in Corsica, and in the Northern Apennines. Several authors have suggested that the origin of leucocratic rocks is associated with partial melting of cumulate gabbro. Major and trace elements composition and paragenesis provided information about the leucocratic rocks genetic processes. This research aims at disclosing, for the first time, the petrographical and geochemical features of Timpa delle Murge leucocratic rocks, Pollino Massif (southern Italy), in order to discuss their origin and geodynamic significance through a comparison with other Tethyan leucocratic rocks. These rocks are characterized by high amounts of silica with moderate alumina and iron-magnesium contents showing higher potassium contents than plagiogranites, due to plagioclase alteration to sericite. Plagioclase fractionation reflects negative Eu anomalies indicating its derivation from gabbroic crystal mushes. The chondrite normalized REEs patterns suggest the participation of partial melts derived from a metasomatized mantle in a subduction environment. The results reveal some similarities in composition with other Tethyan leucocratic rocks, especially those concerning Corsica and the Northern Alps. These new data provide further clues on the origin of these leucocratic rocks and the Tethyan area geodynamic evolution.
Origin of the Multiple-Sourced Cherts in Maokou Carbonates in Sichuan Basin, South China
Authors: Zheng Haofu , Wu Junfeng , Tang Hailei , Liu Bo , Yang Xiangyang , Shi Kaibo , Luo Kaiping , Qiu Qi , Dong Yixin
Published: November 2021

Cherts have been thought to originate from biosilicification, terrestrial inputs and hydrothermal activity. The study of cherts is helpful in understanding the paleo-ocean environment and tectonic–sedimentary processes. Large amounts of cherts occur widely in the Maokou Formation in the Sichuan Basin, which may be largely connected to the Permian Chert Event (PCE). However, the source of silica and the formation process of cherts remain debated. Here, we analyze the petrographic and geochemical features of the cherts from the Guadalupian Maokou Formation (~268–259 Ma) in six sections in the Sichuan Basin. Two main types of cherts, nodular and bedded, are recognized in the Maokou Formation. The formation of nodular cherts was mainly affected by hydrothermal fluids, whereas the bedded cherts are mainly of biogenetic origin. The Emeishan large igneous province (ELIP) caused the activation of deep faults, accompanied by intense hydrothermal activities. Correspondingly, the cherts of significant hydrothermal origin developed near the active deep faults. The intensified hydrothermal activities may provide extra silica supplies and flourish the silica-secreting organisms by the associated volcanogenic upwellings that facilitated the enrichment of cherts. The study of Maokou cherts can help to record the volcanic- and silicon-related biological activities in the eastern Paleo-Tethys Ocean and can provide significant implications for chert enrichment in analogous settings.
A Role of Mineral Oxides on Trace Elements Behavior during Pulverized Coal Combustion
Authors: Sutopo Ulung Muhammad , Desfitri Erda Rahmilaila , Hayakawa Yukio , Kambara Shinji
Published: November 2021

The issues of trace element emissions during coal combustion has been a concern in recent years due to their environmental pollutant. To study the trace element transformation, the thermodynamic calculation (FactSage 7.2) was used. Five kinds of pure mineral oxides (Al2O3, CaO, Fe2O3, K2O, and MgO) and As, B, Cr, F, and Se in fly ash were considered for trace elements. The results confirm that all mineral oxides have a good correlation with arsenic to form Ca3(AsO4)2, FeAsO4, K3AsO4, and Mg3(AsO4)2. Boron has a good relationship with Al, Ca, and Mg to form (Al2O3)9(B2O3)2, Ca3B2O6, and Mg3B2O6. Chromium has a good correlation with K and Ca to form K2CrO4, CaCr2O4. Furthermore, FeF3(s) KF(s), and AlF3(s) are predicted from the interaction of fluorine with Fe2O3, K2O, and Al2O3. The effect of mineral oxides on selenium partitioning are not observed. The inhibition order of trace elements by mineral oxides is as follow: As (Al2O3 > MgO > CaO > Fe2O3 > K2O), B (Al2O3, CaO, Fe2O3, K2O, > MgO), Cr (CaO > K2O > Al2O3, MgO, Fe2O3), F (CaO > MgO > Al2O3 > Fe2O3 > K2O). The results will be useful to control the trace element emissions.
Direct Photoexcitation of Benzothiazolines: Acyl Radical Generation and Application to Access Heterocycles
Authors: He Xiang-Kui , Lu Juan , Ye Hai-Bing , Li Lei , Xuan Jun
Published: November 2021

An acyl radical generation and functionalization strategy through direct photoexcitation of benzothiazolines has been developed. The formed acyl radical species can either be trapped by quinoxalin-2-ones to realize their C(3)-H functionalization or trigger a cascade radical cyclization with isonitriles to synthesise biologically important phenanthridines. The synthetic value of this protocol can be further illustrated by the modification of quinoxalin-2-ones, containing important natural products and drug-based complex molecules.
Anticancer Activity of Continentalic Acid in B-Cell Lymphoma
Authors: Jeon Byeol-Eun , Kwon Chan-Seong , Lee Ji-Eun , Moon Keumok , Cha Jaeho , Park Inmyoung , Koh Sara , Yoon Myunghee , Kim Sang-Woo , Kim Jeong Nam
Published: November 2021

Aralia continentalis has been used in Korea as a folk remedy for arthralgia, rheumatism, and inflammation. However, its anti-lymphoma effect remains uncharacterized. Here, we demonstrate that A. continentalis extract and its three diterpenes efficiently kill B-lymphoma cells. Our in vitro and in vivo results suggest that the cytotoxic activities of continentalic acid, a major diterpene from A. continentalis extract, are specific towards cancer cells while leaving normal murine cells and tissues unharmed. Mechanistically, continentalic acid represses the expression of pro-survival Bcl-2 family members, such as Mcl-1 and Bcl-xL. It dissociates the mitochondrial membrane potential, leading to the stimulation of effector caspase 3/7 activities and, ultimately, cell death. Intriguingly, this agent therapeutically synergizes with roflumilast, a pan-PDE4 inhibitor that has been successfully repurposed for the treatment of aggressive B-cell malignancies in recent clinical tests. Our findings unveiled that A. continentalis extract and three of the plant’s diterpenes exhibit anti-cancer activities. We also demonstrate the synergistic inhibitory effect of continentalic acid on the survival of B-lymphoma cells when combined with roflumilast. Taken in conjunction, continentalic acid may hold significant potential for the treatment of B-cell lymphoma.
Pure Graphene Oxide Vertical p–n Junction with Remarkable Rectification Effect
Authors: Fan Yan , Wang Tao , Qiu Yinwei , Yang Yinli , Pan Qiubo , Zheng Jun , Zeng Songwei , Liu Wei , Lou Gang , Chen Liang
Published: November 2021

Graphene p-n junctions have important applications in the fields of optical interconnection and low–power integrated circuits. Most current research is based on the lateral p-n junction prepared by chemical doping and other methods. Here, we report a new type of pure graphene oxide (pGO) vertical p-n junctions which do not dope any other elements but only controls the oxygen content of GO. The I–V curve of the pGO vertical p–n junction demonstrates a remarkable rectification effect. In addition, the pGO vertical p–n junction shows stability of its rectification characteristic over long-term storage for six months when sealed and stored in a PE bag. Moreover, the pGO vertical p–n junctions have obvious photoelectric response and various rectification effects with different thicknesses and an oxygen content of GO, humidity, and temperature. Hall effect test results show that rGO is an n–type semiconductor; theoretical calculations and research show that GO is generally a p–type semiconductor with a bandgap, thereby forming a p–n junction. Our work provides a method for preparing undoped GO vertical p–n junctions with advantages such as simplicity, convenience, and large–scale industrial preparation. Our work demonstrates great potential for application in electronics and highly sensitive sensors.
Buffalo Yogurt Fortified with Eucalyptus (Eucalyptus camaldulensis) and Myrrh (Commiphora Myrrha) Essential Oils: New Insights into the Functional Properties and Extended Shelf Life
Authors: Hamed Ahmed Mohamed , Awad Awad A. , Abdel-Mobdy Ahmed E. , Alzahrani Abdulhakeem , Salamatullah Ahmad Mohammad
Published: November 2021

Eucalyptus (Eucalyptus camaldulensis) and Myrrh (Commiphora Myrrha) essential oils (EOs) stand out for their benefits in terms of health and functionality. Buffalo set yogurt enriched with different concentrations of EOs (0.3, 0.6, and 0.9%) were investigated. The effects of addition on sensory, syneresis, antibacterial activity, and bioactive properties (total phenol content and antioxidant activity) of yogurt were studied. The most acceptable organoleptic properties of treated yogurt were those samples treated with Eucalyptus oil. The levels of syneresis were decreased by increasing the concentration of EOs. Moreover, the antioxidant activity, antibacterial activity, and total phenolic content were enhanced by increasing the concentration of EOs. Yogurt with 0.9% Eucalyptus oil showed the highest antioxidant activity and total phenolic content. The same concentration of Eucalyptus oil showed the highest antibacterial activity against S. typhimurium (the inhibition zone was 20.63 mm) then E. coli (the inhibition zone was 19.43 mm). On the other hand, the highest antibacterial effect against L. monocytogene was for Myrrh oil-enriched yogurt by 0.9% and the inhibition zone was 19.21 mm. The obtained results showed that Eucalyptus and Myrrh oils can be applied to yogurt to improve its beneficial properties in terms of physical characteristics and for human health due to their antioxidant activity and phenolic materials.
Ionic Porous Aromatic Framework as a Self-Degraded Template for the Synthesis of a Magnetic γ-Fe2O3/WO3·0.5H2O Hybrid Nanostructure with Enhanced Photocatalytic Property
Authors: Xu Man , Wang Kai , Cao Xuan
Published: November 2021

An ionic porous aromatic framework is developed as a self-degraded template to synthesize the magnetic heterostructure of γ-Fe2O3/WO3·0.5H2O. The Fe3O4 polyhedron was obtained with the two-phase method first and then reacted with sodium tungstate to form the γ-Fe2O3/WO3·0.5H2O hybrid nanostructure. Under the induction effect of the ionic porous network, the Fe3O4 phase transformed to the γ-Fe2O3 state and complexed with WO3·0.5H2O to form the n-n heterostructure with the n-type WO3·0.5H2O on the surface of n-type γ-Fe2O3. Based on a UV-Visible analysis, the magnetic photocatalyst was shown to have a suitable band gap for the catalytic degradation of organic pollutants. Under irradiation, the resulting γ-Fe2O3/WO3·0.5H2O sample exhibited a removal efficiency of 95% for RhB in 100 min. The charge transfer mechanism was also studied. After the degradation process, the dispersed powder can be easily separated from the suspension by applying an external magnetic field. The catalytic activity displayed no significant decrease after five recycles. The results present new insights for preparing a hybrid nanostructure photocatalyst and its potential application in harmful pollutant degradation.
Nifuroxazide Mitigates Angiogenesis in Ehlrich’s Solid Carcinoma: Molecular Docking, Bioinformatic and Experimental Studies on Inhibition of Il-6/Jak2/Stat3 Signaling
Authors: El-Sherbiny Mohamed , El-Sayed Rehab M. , Helal Mohamed A. , Ibrahiem Afaf T. , Elmahdi Hoda S. , Eladl Mohamed Ahmed , Bilay Shymaa E. , Alshahrani Asma M. , Tawfik Mona K. , Hamed Ziad E. , Mohamed Amany O. , Zaitone Sawsan A.
Published: November 2021

Nifuroxazide is an antidiarrheal medication that has promising anticancer activity against diverse types of tumors. The present study tested the anticancer activity of nifuroxazide against Ehrlich’s mammary carcinoma grown in vivo. Furthermore, we investigated the effect of nifuroxazide on IL-6/jak2/STAT3 signaling and the possible impact on tumor angiogenesis. The biological study was supported by molecular docking and bioinformatic predictions for the possible effect of nifuroxazide on this signaling pathway. Female albino mice were injected with Ehrlich carcinoma cells to produce Ehrlich’s solid tumors (ESTs). The experimental groups were as follows: EST control, EST + nifuroxazide (5 mg/kg), and EST + nifuroxazide (10 mg/kg). Nifuroxazide was found to reduce tumor masses (730.83 ± 73.19 and 381.42 ± 109.69 mg vs. 1099.5 ± 310.83) and lessen tumor pathologies. Furthermore, nifuroxazide downregulated IL-6, TNF-α, NFk-β, angiostatin, and Jak2 proteins, and it also reduced tumoral VEGF, as indicated by ELISA and immunohistochemical analysis. Furthermore, nifuroxazide dose-dependently downregulated STAT3 phosphorylation (60% and 30% reductions, respectively). Collectively, the current experiment shed light on the antitumor activity of nifuroxazide against mammary solid carcinoma grown in vivo. The antitumor activity was at least partly mediated by inhibition of IL-6/Jak2/STAT3 signaling that affected angiogenesis (low VEGF and high angiostatin) in the EST. Therefore, nifuroxazide might be a promising antitumor medication if appropriate human studies will be conducted.
Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy
Authors: Shreevatsa Bhargav , Dharmashekara Chandan , Swamy Vikas Halasumane , Gowda Meghana V. , Achar Raghu Ram , Kameshwar Vivek Hamse , Thimmulappa Rajesh Kumar , Syed Asad , Elgorban Abdallah M. , Al-Rejaie Salim S. , Ortega-Castro Joaquín , Frau Juan , Flores-Holguín Norma , Shivamallu Chandan , Kollur Shiva Prasad , Glossman-Mitnik Daniel
Published: November 2021

NAD(P)H:quinone acceptor oxidoreductase-1 (NQO1) is a ubiquitous flavin adenine dinucleotide-dependent flavoprotein that promotes obligatory two-electron reductions of quinones, quinonimines, nitroaromatics, and azo dyes. NQO1 is a multifunctional antioxidant enzyme whose expression and deletion are linked to reduced and increased oxidative stress susceptibilities. NQO1 acts as both a tumor suppressor and tumor promoter; thus, the inhibition of NQO1 results in less tumor burden. In addition, the high expression of NQO1 is associated with a shorter survival time of cancer patients. Inhibiting NQO1 also enables certain anticancer agents to evade the detoxification process. In this study, a series of phytobioactives were screened based on their chemical classes such as coumarins, flavonoids, and triterpenoids for their action on NQO1. The in silico evaluations were conducted using PyRx virtual screening tools, where the flavone compound, Orientin showed a better binding affinity score of −8.18 when compared with standard inhibitor Dicumarol with favorable ADME properties. An MD simulation study found that the Orientin binding to NQO1 away from the substrate-binding site induces a potential conformational change in the substrate-binding site, thereby inhibiting substrate accessibility towards the FAD-binding domain. Furthermore, with this computational approach we are offering a scope for validation of the new therapeutic components for their in vitro and in vivo efficacy against NQO1.
Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
Authors: Baranova Kristina F. , Titov Aleksei A. , Smol’yakov Alexander F. , Chernyadyev Andrey Yu. , Filippov Oleg A. , Shubina Elena S.
Published: November 2021

A series of emissive Cu(I) cationic complexes with 3-(2-pyridyl)-5-phenyl-pyrazole and various phosphines: dppbz (1), Xantphos (2), DPEPhos (3), PPh3 (4), and BINAP (5) were designed and characterized. Complexes obtained exhibit bright yellow-green emission (ca. 520–650 nm) in the solid state with a wide range of QYs (1–78%) and lifetimes (19–119 µs) at 298 K. The photoluminescence efficiency dramatically depends on the phosphine ligand type. The theoretical calculations of buried volumes and excited states explained the emission behavior for 1–5 as well as their lifetimes. The bulky and rigid phosphines promote emission efficiency through the stabilization of singlet and triplet excited states.
From Molecular to Cluster Properties: Rotational Spectroscopy of 2-Aminopyridine and of Its Biomimetic Cluster with Water
Authors: Kraśnicki Adam , Kisiel Zbigniew , Guillemin Jean-Claude
Published: November 2021

We report the observation and analysis of the rotational spectrum of a 1:1 cluster between 2-aminopyridine and water (AMW) carried out with supersonic expansion Fourier transform microwave spectroscopy at 4.7–16.5 GHz. Measurements of the 2-aminopyridine monomer (AMP) were also extended up to 333 GHz for the room-temperature rotational spectrum and to resolved hyperfine splitting resulting from the presence of two 14N quadrupolar nuclei. Supersonic expansion measurements for both AMP and AMW were also carried out for two synthesized isotopic species with single deuteration on the phenyl ring. Nuclear quadrupole hyperfine structure has also been resolved for AMW and the derived splitting constants were used as an aid in structural analysis. The structure of the AMW cluster was determined from the three sets of available rotational constants and the hydrogen bonding configuration is compared with those for clusters with water of similarly sized single-ring molecules. Experimental results aided by quantum chemistry computations allow the conclusion that the water molecule is unusually strongly bound by two hydrogen bonds, OH...N and O...HN, to the NCNH atomic chain of AMP with the potential to replace hydrogen bonds to the identical structural segment in cytosine and adenine in CT and AT nucleic acid base pairs.
Metabolomic Characterization of Cerebrospinal Fluid from Intracranial Bacterial Infection Pediatric Patients: A Pilot Study
Authors: Wang Yiwen , Liu Yu , Chen Ruoping , Qiao Liang
Published: November 2021

Intracranial bacterial infection remains a major cause of morbidity and mortality in neurosurgical cases. Metabolomic profiling of cerebrospinal fluid (CSF) holds great promise to gain insights into the pathogenesis of central neural system (CNS) bacterial infections. In this pilot study, we analyzed the metabolites in CSF of CNS infection patients and controls in a pseudo-targeted manner, aiming at elucidating the metabolic dysregulation in response to postoperative intracranial bacterial infection of pediatric cases. Untargeted analysis uncovered 597 metabolites, and screened out 206 differential metabolites in case of infection. Targeted verification and pathway analysis filtered out the glycolysis, amino acids metabolism and purine metabolism pathways as potential pathological pathways. These perturbed pathways are involved in the infection-induced oxidative stress and immune response. Characterization of the infection-induced metabolic changes can provide robust biomarkers of CNS bacterial infection for clinical diagnosis, novel pathways for pathological investigation, and new targets for treatment.
Malate Transport and Metabolism in Nitrogen-Fixing Legume Nodules
Authors: Booth Nicholas J. , Smith Penelope M. C. , Ramesh Sunita A. , Day David A.
Published: November 2021

Legumes form a symbiosis with rhizobia, a soil bacterium that allows them to access atmospheric nitrogen and deliver it to the plant for growth. Biological nitrogen fixation occurs in specialized organs, termed nodules, that develop on the legume root system and house nitrogen-fixing rhizobial bacteroids in organelle-like structures termed symbiosomes. The process is highly energetic and there is a large demand for carbon by the bacteroids. This carbon is supplied to the nodule as sucrose, which is broken down in nodule cells to organic acids, principally malate, that can then be assimilated by bacteroids. Sucrose may move through apoplastic and/or symplastic routes to the uninfected cells of the nodule or be directly metabolised at the site of import within the vascular parenchyma cells. Malate must be transported to the infected cells and then across the symbiosome membrane, where it is taken up by bacteroids through a well-characterized dct system. The dicarboxylate transporters on the infected cell and symbiosome membranes have been functionally characterized but remain unidentified. Proteomic and transcriptomic studies have revealed numerous candidates, but more work is required to characterize their function and localise the proteins in planta. GABA, which is present at high concentrations in nodules, may play a regulatory role, but this remains to be explored.
The Impact of an Anchoring Layer on the Formation of Tethered Bilayer Lipid Membranes on Silver Substrates
Authors: Aleknavičienė Indrė , Talaikis Martynas , Budvytyte Rima , Valincius Gintaras
Published: November 2021

Tethered bilayer lipid membranes (tBLMs) have been known as stable and versatile experimental platforms for protein–membrane interaction studies. In this work, the assembly of functional tBLMs on silver substrates and the effect of the molecular chain-length of backfiller molecules on their properties were investigated. The following backfillers 3-mercapto-1-propanol (3M1P), 4-mercapto-1-butanol (4M1B), 6-mercapto-1-hexanol (6M1H), and 9-mercapto-1-nonanol (9M1N) mixed with the molecular anchor WC14 (20-tetradecyloxy-3,6,9,12,15,18,22 heptaoxahexatricontane-1-thiol) were used to form self-assembled monolayers (SAMs) on silver, which influenced a fusion of multilamellar vesicles and the formation of tBLMs. Spectroscopic analysis by SERS and RAIRS has shown that by using different-length backfiller molecules, it is possible to control WC14 anchor molecules orientation on the surface. An introduction of increasingly longer surface backfillers in the mixed SAM may be related to the increasing SAMs molecular order and more vertical orientation of WC14 at both the hydrophilic ethylenoxide segment and the hydrophobic lipid bilayer anchoring alkane chains. Since no clustering of WC14 alkane chains, which is deleterious for tBLM integrity, was observed on dry samples, the suitability of mixed-component SAMs for subsequent tBLM formation was further interrogated by electrochemical impedance spectroscopy (EIS). EIS showed the arrangement of well-insulating tBLMs if 3M1P was used as a backfiller. An increase in the length of the backfiller led to increased defectiveness of tBLMs. Despite variable defectiveness, all tBLMs responded to the pore-forming cholesterol-dependent cytolysin, vaginolysin in a manner consistent with the functional reconstitution of the toxin into phospholipid bilayer. This experiment demonstrates the biological relevance of tBLMs assembled on silver surfaces and indicates their utility as biosensing elements for the detection of pore-forming toxins in liquid samples.
A Novel Functional Emulsifier Prepared with Modified Cassava Amylose with Octenyl Succinic Anhydride and Quercetin: Preparation and Application in the Pickering Emulsion
Authors: Zhang Hailing , Chen Haiming , Jiang Shan , Kang Xiaoning
Published: November 2021

An emulsifier with a targeted antioxidant effect was prepared using the inclusion complexes of octenyl succinic anhydride (OSA)-modified cassava amylose (CA) and quercetin (Q). The designed emulsifier, a carbohydrate polymer-flavonoid complex, exhibited both amphiphilic and antioxidant properties. To investigate the physical and oxidation stabilities of the prepared emulsion, three types of emulsions were prepared: primary emulsions stabilized by enzyme-modified starch, secondary emulsions stabilized by OSA-CA, and tertiary emulsions stabilized by Q-encapsulated complexes (OSA-CA/Q). The structural characteristics of CA, OSA-CA, and OSA-CA/Q were investigated by scanning electron microscopy, Fourier transform infrared spectrometry, and small-angle X-ray scattering analysis. The stabilities of the emulsions were evaluated based on their particle size distribution, zeta potential, creaming stability, and peroxide value. The results showed that the secondary and tertiary emulsions exhibited a relatively narrower particle size distribution than the primary emulsions, but the particle size distribution of the tertiary emulsions was the narrowest (10.42 μm). Moreover, the secondary and tertiary emulsions had lower delamination indices than the primary emulsions after 7 days of storage. The results obtained from the antioxidant experiments indicated that OSA-CA/Q exhibited good oxidation stability for application in emulsion systems.
Tunable Low Crystallinity Carbon Nanotubes/Silicon Schottky Junction Arrays and Their Potential Application for Gas Sensing
Authors: Adrian Alvaro R. , Cerda Daniel , Fernández-Izquierdo Leunam , Segura Rodrigo A. , García-Merino José Antonio , Hevia Samuel A.
Published: November 2021

Highly ordered nanostructure arrays have attracted wide attention due to their wide range of applicability, particularly in fabricating devices containing scalable and controllable junctions. In this work, highly ordered carbon nanotube (CNT) arrays grown directly on Si substrates were fabricated, and their electronic transport properties as a function of wall thickness were explored. The CNTs were synthesized by chemical vapor deposition inside porous alumina membranes, previously fabricated on n-type Si substrates. The morphology of the CNTs, controlled by the synthesis parameters, was characterized by electron microscopies and Raman spectroscopy, revealing that CNTs exhibit low crystallinity (LC). A study of conductance as a function of temperature indicated that the dominant electric transport mechanism is the 3D variable range hopping. The electrical transport explored by I–V curves was approached by an equivalent circuit based on a Schottky diode and resistances related to the morphology of the nanotubes. These junction arrays can be applied in several fields, particularly in this work we explored their performance in gas sensing mode and found a fast and reliable resistive response at room temperature in devices containing LC-CNTs with wall thickness between 0.4 nm and 1.1 nm.
Mechanically Robust Flexible Multilayer Aramid Nanofibers and MXene Film for High-Performance Electromagnetic Interference Shielding and Thermal Insulation
Authors: Zhou Jun , Yu Junsheng , Bai Dongyu , Liu Huili , Li Lu
Published: November 2021

In order to overcome the various defects caused by the limitations of solid metal as a shielding material, the development of electromagnetic shielding materials with flexibility and excellent mechanical properties is of great significance for the next generation of intelligent electronic devices. Here, the aramid nanofiber/Ti3C2Tx MXene (ANF/MXene) composite films with multilayer structure were successfully prepared through a simple alternate vacuum-assisted filtration (AVAF) process. With the intervention of the ANF layer, the multilayer-structure film exhibits excellent mechanical properties. The ANF2/MXene1 composite film exhibits a tensile strength of 177.7 MPa and a breaking strain of 12.6%. In addition, the ANF5/MXene4 composite film with a thickness of only 30 μm exhibits an electromagnetic interference (EMI) shielding efficiency of 37.5 dB and a high EMI-specific shielding effectiveness value accounting for thickness (SSE/t) of 4718 dB·cm2 g−1. Moreover, the composite film was excellent in heat-insulation performance and in avoiding light-to-heat conversion. No burning sensation was produced on the surface of the film with a thickness of only 100 μm at a high temperature of 130 °C. Furthermore, the surface of the film was only mild when touched under simulated sunlight. Therefore, our multilayer-structure film has potential significance in practical applications such as next-generation smart electronic equipment, communications, and military applications.
Tuning Easy Magnetization Direction and Magnetostatic Interactions in High Aspect Ratio Nanowires
Authors: Khurshid Hafsa , Yoosuf Rahana , Issa Bashar Afif , Attaelmanan Atta G. , Hadjipanayis George
Published: November 2021

Cobalt nanowires have been synthesized by electrochemical deposition using track-etched anodized aluminum oxide (AAO) templates. Nanowires with varying spacing-to-diameter ratios were prepared, and their magnetic properties were investigated. It is found that the nanowires’ easy magnetization direction switches from parallel to perpendicular to the nanowire growth direction when the nanowire’s spacing-to-diameter ratio is reduced below 0.7, or when the nanowires’ packing density is increased above 5%. Upon further reduction in the spacing-to-diameter ratio, nanowires’ magnetic properties exhibit an isotropic behavior. Apart from shape anisotropy, strong dipolar interactions among nanowires facilitate additional uniaxial anisotropy, favoring an easy magnetization direction perpendicular to their growth direction. The magnetic interactions among the nanowires were studied using the standard method of remanence curves. The demagnetization curves and Delta m (Δm) plots showed that the nanowires interact via dipolar interactions that act as an additional uniaxial anisotropy favoring an easy magnetization direction perpendicular to the nanowire growth direction. The broadening of the dipolar component of Δm plots indicate an increase in the switching field distribution with the increase in the nanowires’ diameter. Our findings provide an important insight into the magnetic behavior of cobalt nanowires, meaning that it is crucial to design them according to the specific requirements for the application purposes.
Enhanced Ferroelectric, Dielectric Properties of Fe-Doped PMN-PT Thin Films
Authors: Feng Chao , Liu Tong , Bu Xinyu , Huang Shifeng
Published: November 2021

Fe-doped 0.71Pb(Mg1/3Nb2/3)O3-0.29PbTiO3 (PMN-PT) thin films were grown in Pt/Ti/SiO2/Si substrate by a chemical solution deposition method. Effects of the annealing temperature and doping concentration on the crystallinity, microstructure, ferroelectric and dielectric properties of thin film were investigated. High (111) preferred orientation and density columnar structure were achieved in the 2% Fe-doped PMN-PT thin film annealed at 650 °C. The preferred orientation was transferred to a random orientation as the doping concentration increased. A 2% Fe-doped PMN-PT thin film showed the effectively reduced leakage current density, which was due to the fact that the oxygen vacancies were effectively restricted and a transition of Ti4+ to Ti3+ was prevented. The optimal ferroelectric properties of 2% Fe-doped PMN-PT thin film annealed at 650 °C were identified with slim polarization-applied field loops, high saturation polarization (Ps = 78.8 µC/cm2), remanent polarization (Pr = 23.1 µC/cm2) and low coercive voltage (Ec = 100 kV/cm). Moreover, the 2% Fe-doped PMN-PT thin film annealed at 650 °C showed an excellent dielectric performance with a high dielectric constant (εr ~1300 at 1 kHz).
Degradation of Acid Red 1 Catalyzed by Peroxidase Activity of Iron Oxide Nanoparticles and Detected by SERS
Authors: Vázquez-Vélez Edna , Martínez Horacio , Castillo Fermín
Published: November 2021

Magnetic iron oxide nanoparticles (MIONPs) were synthesized using tannic acid and characterized by Raman, FTIR, UV, and DRX spectroscopy. In a heterogeneous Fenton-like reaction, the catalytic peroxidase-like activity of MIONPs in the degradation of Acid Red 1 (AR 1) dye was investigated. TEM/STEM was used to determine the quasi-spherical morphology and particle size (3.2 nm) of the synthesized MIONPs. The XRD powder patterns were indexed according to the reverse spinel structure of magnetite, and SEM-EDS analysis confirmed their chemical composition. At pH = 3.5, the decomposition of H2O2 in hydroxyl radicals by MIONPs results in high AR 1 degradation (99%). This behavior was attributed to the size and surface properties of the MIONPs. Finally, the Surface Enhanced Raman Spectroscopy (SERS) technique detected intermediary compounds in the degradation process.
Highly Enhanced Enzymatic Activity of Mn-Induced Carbon Dots and Their Application as Colorimetric Sensor Probes
Authors: Lee Ahyun , Kang Wooseok , Choi Jin-sil
Published: November 2021

Nanomaterial-based enzyme mimetics (nanozymes) have attracted significant interest because of their lower cost and higher stability compared to natural enzymes. In this study, we focused on improving the enzymatic properties of metal induced N-doped carbon dots (N-CDs), which are nanozymes of interest, and their applications for sensory systems. For this purpose, Mn(acetate)2 was introduced during the synthetic step of N-doped carbon dots, and its influence on the enzymatic properties of Mn-induced N-CDs (Mn:N-CDs) was investigated. Their chemical structure was analyzed through infrared spectroscopy and X-ray photoelectron spectrometry; the results suggest that Mn ions lead to the variation in the population of chemical bonding in Mn:N-CDs, whereas these ions were not incorporated into N-CD frameworks. This structural change improved the enzymatic properties of Mn:N-CDs with respect to those of N-CDs when the color change of a 3,3′,5,5′-tetramethylbenzidine/H2O2 solution was examined in the presence of Mn:N-CDs and N-CDs. Based on this enhanced enzymatic property, a simple colorimetric system with Mn:N-CDs was used for the detection of γ-aminobutyric acid, which is an indicator of brain-related disease. Therefore, we believe that Mn:N-CDs will be an excellent enzymatic probe for the colorimetric sensor system.
Disperse-and-Mix: Oil as an ‘Entrance Door’ of Carbon-Based Fillers to Rubber Composites
Authors: Shachar Michaely Gal , Alhazov Dimitry , Genkin Michael , Buzaglo Matat , Regev Oren
Published: November 2021

Oil was employed as an ‘entrance door’ for loading rubber with carbon-based fillers of different size and dimensionalities: 1D carbon nanotubes (CNTs), 2D graphene nanoplatelets (GNPs), and 3D graphite. This approach was explored, as a proof of concept, in the preparation of tire tread, where oil is commonly used to reduce the viscosity of the composite mixture. Rubber was loaded with carbon black (CB, always used) and one or more of the above fillers to enhance the thermal and mechanical properties of the composite. The CNT-loaded system showed the best enhancement in mechanical properties, followed by the CNT-GNP one. Rubber loaded with both graphite and GNP showed the best enhancement in thermal conductivity (58%). The overall enhancements in both mechanical and thermal properties of the various systems were analyzed through an overall relative efficiency index in which the total filler concentration in the system is also included. According to this index, the CNT-loaded system is the most efficient one. The oil as an ‘entrance door’ is an easy and effective novel approach for loading fillers that are in the nanoscale and provide high enhancement of properties at low filler concentrations.