bluuebunny/crossref_metadata_2025 huggingface dataset:
Deep 3D Volumetric Model Genesis for Efficient Screening of Lung Infection Using Chest CT Scans
Authors: Owais Muhammad , Sultan Haseeb , Baek Na Rae , Lee Young Won , Usman Muhammad , Nguyen Dat Tien , Batchuluun Ganbayar , Park Kang Ryoung
Published: November 2022

In the present outbreak of COVID-19, radiographic imaging modalities such as computed tomography (CT) scanners are commonly used for visual assessment of COVID-19 infection. However, personal assessment of CT images is a time-taking process and demands expert radiologists. Recent advancement in artificial intelligence field has achieved remarkable performance of computer-aided diagnosis (CAD) methods. Therefore, various deep learning-driven CAD solutions have been proposed for the automatic diagnosis of COVID-19 infection. However, most of them consider limited number of data samples to develop and validate their methods. In addition, various existing methods employ image-based models considering only spatial information in making a diagnostic decision in case of 3D volumetric data. To address these limitations, we propose a dilated shuffle sequential network (DSS-Net) that considers both spatial and 3D structural features in case of volumetric CT data and makes an effective diagnostic decision. To calculate the performance of the proposed DSS-Net, we combined three publicly accessible datasets that include large number of positive and negative data samples. Finally, our DSS-Net exhibits the average performance of 96.58%, 96.53%, 97.07%, 96.01%, and 98.54% in terms of accuracy, F1-score, average precision, average recall, and area under the curve, respectively, and outperforms various state-of-the-art methods.
Joint Optimization of Multi-Cycle Timetable Considering Supply-to-Demand Relationship and Energy Consumption for Rail Express
Authors: Zheng Han , Chen Junhua , Huang Zhaocha , Zhu Jianhao
Published: November 2022

Rail expresses play a vital role in intracity and intercity transportations. For accommodating multi-source passenger traffic with different travel demand, while optimizing the energy consumption, we propose a multi-cycle train timetable optimization model and a decomposition algorithm. A periodized spatial-temporal network that can support the integrated optimization of passenger service satisfaction and energy consumption considering multi-cycles is studied as the basis of the modeling. Based on this, an integrated optimization model taking the planning of the train spatial-temporal path, cycle length and active lines as variables is proposed. Then, for solving the issues caused by the complex relationships among the cycle length, line and train spatial-temporal path in large-scale cases, a hybrid heuristic Lagrangian decomposition method is investigated. Numerical experiments under different passenger flow demand scenarios are performed. The results show that the more fluctuating the passenger flow is, the more obvious the advantage of a multi-cycle timetable is. For the scenario with two passenger flow peaks, compared to a single-cycle timetable, the demand satisfaction ratio of the multi-cycle timetable is 4.44% higher and the train vacancy rate is 11.49% lower. A multi-cycle timetable also saves 3.24 h running time and 15,553.6 kwh energy consumption compared to a single-cycle timetable. Large-scale real cases show that this advantage still exists in practice.
Development of a Lightweight Centralized Authentication Mechanism for the Internet of Things Driven by Fog
Authors: Lansky Jan , Sadrishojaei Mahyar , Rahmani Amir Masoud , Malik Mazhar Hussain , Kazemian Faeze , Hosseinzadeh Mehdi
Published: November 2022

The rapid development of technology has made the Internet of Things an integral element of modern society. Modern Internet of Things’ implementations often use Fog computing, an offshoot of the Cloud computing that offers localized processing power at the network’s periphery. The Internet of Things serves as the inspiration for the decentralized solution known as Fog computing. Features such as distributed computing, low latency, location awareness, on-premise installation, and support for heterogeneous hardware are all facilitated by Fog computing. End-to-end security in the Internet of Things is challenging due to the wide variety of use cases and the disparate resource availability of participating entities. Due to their limited resources, it is out of the question to use complex cryptographic algorithms for this class of devices. All Internet of Things devices, even those connected to servers online, have constrained resources such as power and processing speed, so they would rather not deal with strict security measures. This paper initially examines distributed Fog computing and creates a new authentication framework to support the Internet of Things environment. The following authentication architecture is recommended for various Internet of Things applications, such as healthcare systems, transportation systems, smart buildings, smart energy, etc. The total effectiveness of the method is measured by considering factors such as the cost of communication and the storage overhead incurred by the offered integrated authentication protocol. It has been proven that the proposed technique will reduce communication costs by at least 11%.
An Extended Membrane System Based on Cell-like P Systems and Improved Particle Swarm Optimization for Image Segmentation
Authors: Wang Lin , Liu Xiyu , Qu Jianhua , Zhao Yuzhen , Jiang Zhenni , Wang Ning
Published: November 2022

An extended membrane system with a dynamic nested membrane structure, which is integrated with the evolution-communication mechanism of a cell-like P system with evolutional symport/antiport rules and active membranes (ECP), and the evolutionary mechanisms of particle swarm optimization (PSO) and improved PSO inspired by starling flock behavior (SPSO), named DSPSO-ECP, is designed and developed to try to break application restrictions of P systems in this paper. The purpose of DSPSO-ECP is to enhance the performance of extended membrane system in solving optimization problems. In the proposed DSPSO-ECP, the updated model of velocity and position of standard PSO, as basic evolution rules, are adopted to evolve objects in elementary membranes. The modified updated model of the velocity of improved SPSO is used as local evolution rules to evolve objects in sub-membranes. A group of sub-membranes for elementary membranes are specially designed to avoid prematurity through membrane creation and dissolution rules with promoter/inhibitor. The exchange and sharing of information between different membranes are achieved by communication rules for objects based on evolutional symport rules of ECP. At last, computational results, which are made on numerical benchmark functions and classic test images, are discussed and analyzed to validate the efficiency of the proposed DSPSO-ECP.
Novel Soliton Solutions of the Fractional Riemann Wave Equation via a Mathematical Method
Authors: Naz Shumaila , Rani Attia , Shakeel Muhammad , Shah Nehad Ali , Chung Jae Dong
Published: November 2022

The Riemann wave equation is an intriguing nonlinear equation in the areas of tsunamis and tidal waves in oceans, electromagnetic waves in transmission lines, magnetic and ionic sound radiations in plasmas, static and uniform media, etc. In this innovative research, the analytical solutions of the fractional Riemann wave equation with a conformable derivative were retrieved as a special case, and broad-spectrum solutions with unknown parameters were established with the improved (G’/G)-expansion method. For the various values of these unknown parameters, the renowned periodic, singular, and anti-singular kink-shaped solitons were retrieved. Using the Maple software, we investigated the solutions by drawing the 3D, 2D, and contour plots created to analyze the dynamic behavior of the waves. The discovered solutions might be crucial in the disciplines of science and ocean engineering.
Quality Performance Indicators Evaluation and Ranking by Using TOPSIS with the Interval-Intuitionistic Fuzzy Sets in Project-Oriented Manufacturing Companies
Authors: Nestić Snežana , Gojković Ranka , Petrović Tijana , Tadić Danijela , Mimović Predrag
Published: November 2022

Project-oriented manufacturing companies aim to produce high-quality products according to customer requirements and a minimum rate of complaints. In order to achieve this, performance indicators, especially those related to product quality, must be measured and monitored by managers. This research proposes a fuzzy multi-criteria model for the selection of key performance indicators that are critical to product quality. The uncertainties in the relative importance of decision-makers, performance indicators, and their values are described by sets of natural language words that are modeled by the interval-valued intuitionistic fuzzy numbers. The assessment of the relative importance of the decision-makers and the determination of their weights are based on the inclusion comparison probability between the closeness intuitionistic fuzzy sets. The determination of the weights vector of performance indicators is based on the integration of an interval-value fuzzy weighted geometric operator and the inclusion comparison probability between the closeness intuitionistic fuzzy sets. TOPSIS expanded with interval-valued intuitionistic fuzzy numbers for ranking performance indicators is proposed. The developed model was tested on the real data collected from three manufacturing companies in the Republic of Serbia. Based on the obtained results, the top-ranked performance indicators were marked as critical for product quality and selected as quality key performance indicators.
Effect of Composition and Viscosity of Spinning Solution on Ultrafiltration Properties of Polyphenylene Sulfone Hollow-Fiber Membranes
Authors: Anokhina Tatyana , Raeva Alisa , Sokolov Stepan , Storchun Alexandra , Filatova Marina , Zhansitov Azamat , Kurdanova Zhanna , Shakhmurzova Kamila , Khashirova Svetlana , Borisov Ilya
Published: November 2022

In this work, PPSUs with different molecular weights were synthesized for the development of highly permeable ultrafiltration hollow fiber membranes for the first time. The MW of the synthesized polymers was controlled by varying the monomers molar ratio within 1:1–1.15 under the same synthesis conditions. Based on the study of the rheological properties of polymer solutions, a high molecular weight PPSU (MW = 102,000 g/mol) was chosen for the formation of hollow fiber membranes. The addition of PEG400 to the spinning solution led to an increase in viscosity, which makes it possible to work in the region of lower PPSU concentrations (18–20 wt. %) and to form membranes with a less dense porous structure. With the addition of PEG400 to the spinning solution, the membrane permeance increased sharply by more than two orders of magnitude (from 0.2 to 96 L/m2·h bar). At the same time, the membranes had high rejection coefficients (99.9%) of Blue Dextran model filtered substance (MW = 69,000 g/mol).
Facile Synthesis of PtPd Network Structure Nanochains Supported on Multi-Walled Carbon Nanotubes for Methanol Oxidation
Authors: Zhang Dawei , Ren Yanrong , Jin Zhenhua , Duan Yonghua , Xu Mingli , Yu Jie
Published: November 2022

In this paper, a PtPd NC catalyst with a network structure of nanochains was prepared with KBr as a structure-directing agent, NaBH4 as a reducing agent, and modified multi-walled carbon nanotubes (MWCNTs) as a support. The experimental results show that the structure-directing agent KBr helps to form a particular type of nanochain with a network topology. PtPd NCs with various ratios (Pt:Pd = 2:1, 1:1, 1:2) have respective diameters of 30 nm, 35 nm, and 23 nm. With numerous structural flaws at the junctions, the nanochains’ distinctive network structure increases the number of active sites on the PtPd nanocenter surface. Electrochemical characterization results show that the current density of the PtPd NCs is about 658.5 mA mg−1, 1.5-times that of the Pt/C catalyst and 3.9-times that of the commercial Pd/C catalyst. Furthermore, it has better electrocatalytic stability for methanol oxidation than Pd/C and Pt/C catalysts.
On the Microstructure Development under Cyclic Temperature Conditions during WAAM of Microalloyed Steels
Authors: Huang Chang , Soliman Mohamed , Treutler Kai , Wesling Volker , Spitzer Karl-Heinz
Published: November 2022

This paper shed light on the kinetics of transformation and the developed microstructure during wire arc additive manufacturing (WAAM). Three microalloyed alloys, two of them are high strength low alloyed steel (HSLA) grades and the third is a Ni-Cr-Mo steel, from which the welding wires are being produced, were investigated. Repeated cycles around varied temperatures from a reheating temperature of 1350 °C and down to a temperature 35 °C below the Ae1 are applied using dilatometer on samples from the steels. After applying the cycles, the dilatometric-samples were investigated metallographically and their macro- and microhardness values were measured. It is shown that the WAAM using HSLA steels produce softer structure than the steel of the welding wire. Combined microalloying with Ti and Nb can present a useful strategy for producing finer structure in the WAAM components due to the effect of Ti in inhibiting the prior austenite grain-growth and that of Nb in refining the final structure. Additionally, repeated heating near Ae3 refines the prior austenite grains and produced fine ferrite-pearlite structure in case of HSLA steels and a microstructure predominated by the granular bainite in case of welding wire alloy. The former microstructure was the softest one for the case of HSLA steels, whereas the softest structure in case of the welding wire alloy was the tempered martensite structure developed by reheating below Ae1. Idealized temperature curves were chosen for the heat treatment, which could be characterized in a well-defined manner. In future work such idealized curves together with temperature histories obtained in WAAM-process will be used to set up a database to train an AI-model for predicting structure and material properties.
Microstructure, Plasticity and Ductility of a TNM+ Alloy Densified by Spark Plasma Sintering
Authors: Musi Michael , Deshayes Christophe , Molénat Guy , Toualbi Louise , Galy Benjamin , Spoerk-Erdely Petra , Hantcherli Muriel , Monchoux Jean-Philippe , Thomas Marc , Clemens Helmut , Couret Alain
Published: November 2022

This work presents a study of the microstructure and mechanical properties of a TNM+ alloy (Ti-43.5Al-4Nb-1Mo-0.1B-0.3C-0.3Si, in at.%) densified by Spark Plasma Sintering (SPS), in comparison to the as-SPSed TNM alloy, which contains neither carbon nor silicon. Tensile tests at room temperature and 800 °C, as well as creep tests at 800 °C and 200 MPa, were performed. The microstructures and the fracture surfaces of deformed samples were studied by scanning and transmission electron microscopies, as well as by X-ray diffraction. The deformation mechanisms were investigated by means of in situ straining experiments and post-mortem analyses of deformed samples, both performed by transmission electron microscopy. Contrary to the TNM alloy, the as-SPSed microstructure of the TNM+ alloy does not contain β/βo phase due to the incorporation of carbon. At room temperature, the TNM+ alloy exhibits a yield stress of 520 MPa but a poor ductility of less than 0.1% of plastic strain. The incorporation of carbon and silicon leads to an increase in the creep resistance of the alloy at 800 °C. Despite the fact that iron inclusions are responsible for the premature failure of some samples during tensile tests, the TNM+ alloy is found to be able to deform plastically at room temperature by the glide of ordinary dislocations and by twinning.
Metabolomic Study of a Rat Model of Retinal Detachment
Authors: She Xiangjun , Zhou Yifan , Liang Zhi , Wei Jin , Xie Bintao , Zhang Yun , Shen Lijun
Published: November 2022

Retinal detachment is a serious ocular disease leading to photoreceptor degeneration and vision loss. However, the mechanism of photoreceptor degeneration remains unclear. The aim of this study was to investigate the altered metabolism pathway and physiological changes after retinal detachment. Eight-week-old male SD rats were fed, and the model of retinal detachment was established by injecting hyaluronic acid into the retinal space. The rats were euthanized 3 days after RD, and the retinal tissues were sectioned for analysis. Untargeted lipid chromatography-mass spectrometry lipidomic was performed to analyze the metabolite changes. A total of 90 significant metabolites (34 in anionic and 56 in cationic models) were detected after retinal detachment. The main pathways were (1) histidine metabolism; (2) phenylalanine, tyrosine, and tryptophan biosynthesis; and (3) glycine, serine, and threonine metabolism. The key genes corresponding to each metabolic pathway were verified from the Gene Expression Omnibus (GEO) database of human retinal samples. The results indicated that the production of histamine by histidine decarboxylase from histidine reduced after RD (p < 0.05). Xanthine, hypoxanthine, guanine, and guanosine decreased after RD (p < 0.05). Decreased xanthine and hypoxanthine may reduce the antioxidant ability. The decreased guanosine could not provide enough sources for inosine monophosphate production. Tyrosine is an important neurotransmitter and was significantly reduced after RD (p < 0.05). Citrate was significantly reduced with the increase of ATP-citrate lyase enzyme (ACLY) (p < 0.05). We inferred that lipid oxidation might increase rather than lipid biogenesis. Thus, this study highlighted the main changes of metabolite and physiological process after RD. The results may provide important information for photoreceptor degeneration.
Proteomic and Metabolomic Evaluation of Insect- and Herbicide-Resistant Maize Seeds
Authors: Liu Weixiao , Meng Lixia , Zhao Weiling , Wang Zhanchao , Miao Chaohua , Wan Yusong , Jin Wujun
Published: November 2022

Label-free quantitative proteomic (LFQ) and widely targeted metabolomic analyses were applied in the safety evaluation of three genetically modified (GM) maize varieties, BBL, BFL-1, and BFL-2, in addition to their corresponding non-GM parent maize. A total of 76, 40, and 25 differentially expressed proteins (DEPs) were screened out in BBL, BFL-1, and BFL-2, respectively, and their abundance compared was with that in their non-GM parents. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis showed that most of the DEPs participate in biosynthesis of secondary metabolites, biosynthesis of amino acids, and metabolic pathways. Metabolomic analyses revealed 145, 178, and 88 differentially accumulated metabolites (DAMs) in the BBL/ZH58, BFL-1/ZH58, and BFL-2/ZH58×CH72 comparisons, respectively. KEGG pathway enrichment analysis showed that most of the DAMs are involved in biosynthesis of amino acids, and in arginine and proline metabolism. Three co-DEPs and 11 co-DAMs were identified in the seeds of these GM maize lines. The proteomic profiling of seeds showed that the GM maize varieties were not dramatically different from their non-GM control. Similarly, the metabolomic profiling of seeds showed no dramatic changes in the GM/non-GM maize varieties compared with the GM/GM and non-GM/non-GM maize varieties. The genetic background of the transgenic maize was found to have some influence on its proteomic and metabolomic profiles.
Compact Magnetic Force Microscope (MFM) System in a 12 T Cryogen-Free Superconducting Magnet
Authors: Abas Asim , Geng Tao , Meng Wenjie , Wang Jihao , Feng Qiyuan , Zhang Jing , Wang Ze , Hou Yubin , Lu Qingyou
Published: November 2022

Magnetic Force Microscopy (MFM) is among the best techniques for examining and assessing local magnetic characteristics in surface structures at scales and sizes. It may be viewed as a unique way to operate atomic force microscopy with a ferromagnetic tip. The enhancement of magnetic signal resolution, the utilization of external fields during measurement, and quantitative data analysis are now the main areas of MFM development. We describe a new structure of MFM design based on a cryogen-free superconducting magnet. The piezoelectric tube (PZT) was implemented with a tip-sample coarse approach called SpiderDrive. The technique uses a magnetic tip on the free end of a piezo-resistive cantilever which oscillates at its resonant frequency. We obtained a high-quality image structure of the magnetic domain of commercial videotape under extreme conditions at 5 K, and a high magnetic field up to 11 T. When such a magnetic field was gradually increased, the domain structure of the videotape did not change much, allowing us to maintain the images in the specific regions to exhibit the performance. In addition, it enabled us to locate the sample region in the order of several hundred nanometers. This system has an extensive range of applications in the exploration of anisotropic magnetic phenomena in topological materials and superconductors.
Microbial Community in the Permafrost Thaw Gradient in the South of the Vitim Plateau (Buryatia, Russia)
Authors: Zaitseva Svetlana , Badmaev Nimazhap , Kozyreva Lyudmila , Dambaev Vyacheslav , Barkhutova Darima
Published: November 2022

Soil microbial communities play key roles in biogeochemical cycles and greenhouse gas formation during the decomposition of the released organic matter in the thawing permafrost. The aim of our research was to assess the taxonomic prokaryotic diversity in soil-ecological niches of the Darkhituy-Khaimisan transect during the initial period of soil thawing. We investigated changes in the microbial communities present in the active layer of four sites representing distinct habitats (larch forest, birch forest, meadow steppe and thermokarst lake). We explore the relationship between the biogeochemical differences among habitats and the active layer microbial community via a spatial (across habitats, and with depth through the active layer) community survey using high-throughput Illumina sequencing. Microbial communities showed significant differences between active and frozen layers and across ecosystem types, including a high relative abundance of Alphaproteobacteria, Firmicutes, Crenarchaeota, Bacteroidota and Gemmatimonadota in the active layer and a high relative abundance of Actinobacteriota and Desulfobacterota in the frozen layer. Soil pH, temperature and moisture were the most significant parameters underlying the variations in the microbial community composition. CCA suggested that the differing environmental conditions between the four soil habitats had strong influences on microbial distribution and diversity and further explained the variability of soil microbial community structures.
Vaginal Bacteria in Mares and the Occurrence of Antimicrobial Resistance
Authors: Malaluang Pongpreecha , Wilén Elin , Frosth Sara , Lindahl Johanna , Hansson Ingrid , Morrell Jane M.
Published: November 2022

Antibiotics are added to semen extenders in insemination doses but their effect on the vaginal microbiota of the inseminated female is unknown. The objectives of this study were to define the equine vaginal microbiota and its antimicrobial resistance, and to determine whether it changes after exposure to antibiotics in semen extenders. Vaginal swabs were taken prior to sham-insemination (day 0), and again on days 3, 7, and 14 after insemination. Isolated bacteria were identified by MALDI-TOF and tested for antimicrobial susceptibility by microdilution. The bacteria isolated from the vagina differed according to reproductive status (brood mare or maiden mare), location (north or middle of Sweden), and the stage of the estrous cycle. Five bacterial species were frequently isolated from mares in both locations: Escherichia coli, Staphylococcus capitis, Streptococcus equisimilis, Streptococcus thoraltensis, and Streptococcus zooepidemicus. Overall, vaginal bacteria isolated from inseminated mares showed higher antibiotic resistance than from non-inseminated mares, suggesting a possible link between exposure to antibiotics in the semen extender and the appearance of antimicrobial resistance. The whole-genome sequencing of E. coli isolates from inseminated mares revealed some genes which are known to confer antimicrobial resistance; however, some instances of resistance in these isolates were not characteristic of induced AMR.
Oral Microbiota and Tumor—A New Perspective of Tumor Pathogenesis
Authors: Li Simin , He Mingxin , Lei Yumeng , Liu Yang , Li Xinquan , Xiang Xiaochen , Wu Qingming , Wang Qiang
Published: November 2022

Microorganisms have long been known to play key roles in the initiation and development of tumors. The oral microbiota and tumorigenesis have been linked in epidemiological research relating to molecular pathology. Notably, some bacteria can impact distal tumors by their gastrointestinal or blood-borne transmission under pathological circumstances. Certain bacteria drive tumorigenesis and progression through direct or indirect immune system actions. This review systemically discusses the recent advances in the field of oral microecology and tumor, including the oncogenic role of oral microbial abnormalities and various potential carcinogenesis mechanisms (excessive inflammatory response, host immunosuppression, anti-apoptotic activity, and carcinogen secretion) to introduce future directions for effective tumor prevention.
Review on Comprehensive Utilization of Magnesium Slag and Development Prospect of Preparing Backfilling Materials
Authors: Yang Xiaobing , Dong Fusong , Zhang Xizhi , Li Chenzhuo , Gao Qian
Published: November 2022

China is the largest producer of the metal magnesium, which is the third largest metal after steel and aluminum, and magnesium slag (MS) discharged from magnesium production cannot be treated effectively at present. Large amounts of MS occupy the land, making the land salinized and polluting the groundwater, which will threaten the sustainable development of the inland areas of China. To realize the large-scale utilization of MS, this paper reviews the research on the comprehensive utilization of MS and proposes using MS to prepare backfill materials. Firstly, the source and physical and chemical properties of MS are introduced, and the hazards caused by MS are also pointed out. Then, the several utilization methods of MS are summarized, such as cement admixture, chemically activated cementitious materials, clinker sintering, etc. Thirdly, the effect of MS on the properties of cementitious materials and concrete is summarized, including condensation time, workability, mechanical properties, durability, etc. Finally, based on the cemented backfill mining method, MS replaces Portland cement and blast furnace slag (BFS) to prepare cementitious materials. The mechanical properties and fluidity of backfilling slurry composed of MS, gypsum, BFS, and tailings can meet the requirements of backfilling mining.
Synthesis of Sterically Shielded Nitroxides Using the Reaction of Nitrones with Alkynylmagnesium Bromides
Authors: Dobrynin Sergey A. , Gulman Mark M. , Morozov Denis A. , Zhurko Irina F. , Taratayko Andrey I. , Sotnikova Yulia S. , Glazachev Yurii I. , Gatilov Yuri V. , Kirilyuk Igor A.
Published: November 2022

Sterically shielded nitroxides, which demonstrate high resistance to bioreduction, are the spin labels of choice for structural studies inside living cells using pulsed EPR and functional MRI and EPRI in vivo. To prepare new sterically shielded nitroxides, a reaction of cyclic nitrones, including various 1-pyrroline-1-oxides, 2,5-dihydroimidazole-3-oxide and 4H-imidazole-3-oxide with alkynylmagnesium bromide wereused. The reaction gave corresponding nitroxides with an alkynyl group adjacent to the N-O moiety. The hydrogenation of resulting 2-ethynyl-substituted nitroxides with subsequent re-oxidation of the N-OH group produced the corresponding sterically shielded tetraalkylnitroxides of pyrrolidine, imidazolidine and 2,5-dihydroimidazole series. EPR studies revealed large additional couplings up to 4 G in the spectra of pyrrolidine and imidazolidine nitroxides with substituents in 3- and/or 4-positions of the ring.
Expanding the Toolbox for Bicelle-Forming Surfactant–Lipid Mixtures
Authors: Giudice Rita Del , Paracini Nicolò , Laursen Tomas , Blanchet Clement , Roosen-Runge Felix , Cárdenas Marité
Published: November 2022

Bicelles are disk-shaped models of cellular membranes used to study lipid–protein interactions, as well as for structural and functional studies on transmembrane proteins. One challenge for the incorporation of transmembrane proteins in bicelles is the limited range of detergent and lipid combinations available for the successful reconstitution of proteins in model membranes. This is important, as the function and stability of transmembrane proteins are very closely linked to the detergents used for their purification and to the lipids that the proteins are embedded in. Here, we expand the toolkit of lipid and detergent combinations that allow the formation of stable bicelles. We use a combination of dynamic light scattering, small-angle X-ray scattering and cryogenic electron microscopy to perform a systematic sample characterization, thus providing a set of conditions under which bicelles can be successfully formed.
Design, Synthesis, and Mechanistic Study of 2-Pyridone-Bearing Phenylalanine Derivatives as Novel HIV Capsid Modulators
Authors: Zhang Xujie , Sun Lin , Xu Shujing , Shao Xiaoyu , Li Ziyi , Ding Dang , Jiang Xiangyi , Zhao Shujie , Cocklin Simon , Clercq Erik , Pannecouque Christophe , Dick Alexej , Liu Xinyong , Zhan Peng
Published: November 2022

The AIDS pandemic is still of importance. HIV-1 and HIV-2 are the causative agents of this pandemic, and in the absence of a viable vaccine, drugs are continually required to provide quality of life for infected patients. The HIV capsid (CA) protein performs critical functions in the life cycle of HIV-1 and HIV-2, is broadly conserved across major strains and subtypes, and is underexploited. Therefore, it has become a therapeutic target of interest. Here, we report a novel series of 2-pyridone-bearing phenylalanine derivatives as HIV capsid modulators. Compound FTC-2 is the most potent anti-HIV-1 compound in the new series of compounds, with acceptable cytotoxicity in MT-4 cells (selectivity index HIV-1 > 49.57; HIV-2 > 17.08). However, compound TD-1a has the lowest EC50 in the anti-HIV-2 assays (EC50 = 4.86 ± 1.71 μM; CC50= 86.54 ± 29.24 μM). A water solubility test found that TD-1a showed a moderately increased water solubility compared with PF74, while the water solubility of FTC-2 was improved hundreds of times. Furthermore, we use molecular simulation studies to provide insight into the molecular contacts between the new compounds and HIV CA. We also computationally predict drug-like properties and metabolic stability for FTC-2 and TD-1a. Based on this analysis, TD-1a is predicted to have improved drug-like properties and metabolic stability over PF74. This study increases the repertoire of CA modulators and has important implications for developing anti-HIV agents with novel mechanisms, especially those that inhibit the often overlooked HIV-2.
Assessment of In Vitro Digestive Behavior of Lactic-Acid-Bacteria Fermented Soy Proteins: A Study Comparing Colloidal Solutions and Curds
Authors: Wang Yaqiong , Fu Yumeng , Azarpazhooh Elham , Li Wei , Liu Qi , Rui Xin
Published: November 2022

This study investigated the effect of lactic-acid-bacteria fermentation on the microstructure and gastrointestinal digestibility of soy proteins using a digestomics approach. Fermented soy protein isolates (FSPIs) under varied fermentation-terminal pH demonstrated a colloidal solution (FSPI-7.0/6.0) or yogurt-like curd (FSPI-5.0/4.0) state. Cryo-electron microscopy figures demonstrated the loosely stacked layer of FSPI-7.0/6.0 samples, whereas a denser gel network was observed for FSPI-5.0/4.0 samples. Molecular interactions shifted from dominant ionic bonds to hydrophobic forces and disulfide bonds. The gastric/intestinal digestion demonstrated that the curd samples afforded a significantly low particle size and high-soluble protein and peptide contents in the medium and late digestive phases. A peptidomics study showed that the FSPI-6.0 digestate at early intestinal digestion had a high peptidome abundance, whereas FSPI curd digestates (FSPI-5.0/4.0) elicited a postponed but more extensive promotion during medium and late digestion. Glycinin G2/G4 and β-conglycinin α/α’ subunits were the major subunits promoted by FSPI-curds. The spatial structures of glycinin G2 and β-conglycinin α subunits demonstrated variations located in seven regions. Glycinin G2 region 6 (A349–K356) and β-conglycinin α subunit region 7 (E556–E575), which were located at the interior of the 3D structure, were the key regions contributing to discrepancies at the late stage.
Evaluation of the Antifungal, Antioxidant, and Anti-Diabetic Potential of the Essential Oil of Curcuma longa Leaves from the North-Western Himalayas by In Vitro and In Silico Analysis
Authors: Sharma Nitin , Gupta Nidhi , Orfali Raha , Kumar Vikas , Patel Chirag N. , Peng Jiangnan , Perveen Shagufta
Published: November 2022

Essential oils (EOs) have gained immense popularity due to considerable interest in the health, food, and pharmaceutical industries. The present study aimed to evaluate the antimicrobial and antioxidant activity and the anti-diabetic potential of Curcuma longa leaf (CLO) essential oil. Further, major phytocompounds of CLO were analyzed for their in-silico interactions with antifungal, antioxidant, and anti-diabetic proteins. CLO was found to have a strong antifungal activity against the tested Candida species with zone of inhibition (ZOI)-11.5 ± 0.71 mm to 13 ± 1.41 mm and minimum inhibitory concentration (MIC) was 0.63%. CLO also showed antioxidant activity, with IC50 values of 5.85 ± 1.61 µg/mL using 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging assay and 32.92 ± 0.64 µM using ferric reducing antioxidant power (FRAP) assay. CLO also showed anti-diabetic activity with an IC50 of 43.06 ± 1.24 µg/mL as compared to metformin (half maximal inhibitory concentration, IC50-16.503 ± 0.66 µg/mL). Gas chromatography–mass spectrometry (GC–MS) analysis of CLO showed the presence of (-)-zingiberene (17.84%); 3,7-cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-(15.31%); cyclohexene, 4-methyl-3-(1-methylethylidene) (12.47%); and (+)-4-Carene (11.89%) as major phytocompounds. Molecular docking of these compounds with antifungal proteins (cytochrome P450 14 alpha-sterol demethylase, PDB ID: 1EA1, and N-myristoyl transferase, PDB ID: 1IYL), antioxidant (human peroxiredoxin 5, PDB ID: 1HD2), and anti-diabetic proteins (human pancreatic alpha-amylase, PDB ID: 1HNY) showed strong binding of 3,7-cyclodecadien-1-one with all the selected protein targets. Furthermore, molecular dynamics (MD) simulations for a 100 ns time scale revealed that most of the key contacts of target proteins were retained throughout the simulation trajectories. Binding free energy calculations using molecular mechanics generalized born surface area (MM/GBSA), and drug-likeness and toxicity analysis also proved the potential for 3,7-cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene) to replace toxic synthetic drugs and act as natural antioxidants.
Straightforward Approach for Preparing Durable Antibacterial ZnO Nanoparticle Coatings on Flexible Substrates
Authors: Šutka Andris , Mežule Linda , Denisova Viktorija , Meier-Haack Jochen , Kulkarni Akshay , Bitina Sanda , Smits Krisjanis , Vihodceva Svetlana
Published: November 2022

Flexible antibacterial materials have gained utmost importance in protection from the distribution of bacteria and viruses due to the exceptional variety of applications. Herein, we demonstrate a readily scalable and rapid single-step approach for producing durable ZnO nanoparticle antibacterial coating on flexible polymer substrates at room temperature. Substrates used are polystyrene, poly(ethylene-co-vinyl acetate) copolymer, poly(methyl methacrylate), polypropylene, high density polyethylene and a commercial acrylate type adhesive tape. The deposition was achieved by a spin-coating process using a slurry of ZnO nanoparticles in toluene. A stable modification layer was obtained when toluene was a solvent for the polymer substrates, namely polystyrene and poly(ethylene-co-vinyl acetate). These coatings show high antibacterial efficiency causing >5 log decrease in the viable counts of Gram-negative bacteria Escherichia. coli and Gram-positive bacteria Staphylococcus aureus in 120 min. Even after tapping these coated surfaces 500 times, the antibacterial properties remained unchanged, showing that the coating obtained by the presented method is very robust. In contrast to the above findings, the coatings are unstable when toluene is not a solvent for the substrate.
Phenylpropanoid Derivatives from the Tuber of Asparagus cochinchinensis with Anti-Inflammatory Activities
Authors: Yue Jingyi , Zhang Nan , Xu Tao , Wang Jutao , Cai Baixiang , Yu Yang
Published: November 2022

Three undescribed phenylpropanoid derivatives, including two new bibenzyl constituents (1–2), one new stilbene constituent (3), together with five known compounds stilbostemin F (4), dihydropinosylvin (5), 2-(4-hydroxyphenyl)ethyl benzoate (6), 1-(4-hydroxybenzoyl)ethanone (7), and 4-hydroxy-3-prenylbenzoic acid (8), were isolated from the tuber of Asparagus cochinchinensis. The structures of 1–8 were elucidated according to UV, IR, HRMS, 1D and 2D-NMR methods together with the published literature. All of the isolated compounds were assessed for anti-inflammatory activity by acting on lipopolysaccharide (LPS)-induced RAW 264.7 macrophage cells in vitro. The results showed that compounds 2 and 5 were found to inhibit the production of nitric oxide (NO) with the IC50 value of 21.7 and 35.8 µM, respectively. In addition, further studies found that compound 2 demonstrated concentration-dependent suppression of the protein expression of iNOS and exerted anti-inflammatory activity via the NF-κB signalling pathway. The present data suggest that phenylpropanoid derivatives from the tuber of A. cochinchinensis might be used as a potential source of natural anti-inflammatory agents.
Cation Incorporation and Synergistic Effects on the Characteristics of Sulfur-Doped Manganese Ferrites S@Mn(Fe2O4) Nanoparticles for Boosted Sunlight-Driven Photocatalysis
Authors: Nadeem Sohail , Bukhari Mehak , Javed Mohsin , Iqbal Shahid , Ahmad Mirza Nadeem , Alrbyawi Hamad , Al-Anazy Murefah Mana , Elkaeed Eslam B. , Hegazy H. H. , Qayyum Muhammad Abdul , Pashameah Rami Adel , Alzahrani Eman , Farouk Abd-ElAziem
Published: November 2022

In the present work, sulfur-doped manganese ferrites S@Mn(Fe2O4) nanoparticles were prepared by using the sol-gel and citrate method. The concentration of sulfur varied from 1 to 7% by adding Na2S. The samples were characterized by performing Fourier Transformed Infrared Spectroscopy (FTIR), Energy Dispersive X-ray (EDX), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Ultraviolet–Visible spectroscopy (UV–Visible). The synthesized sulfur-doped manganese ferrites were applied to evaluate the photocatalytic degradation of the dyes. Further, the degradation studies revealed that the nanoparticles successfully degraded the methylene blue dye by adding a 0.006 g dose under the sunlight. The sulfur-doped manganese ferrite nanoparticles containing 3% sulfur completely degraded the dye in 2 h and 15 min in aqueous medium. Thus, the ferrite nanoparticles were found to be promising photocatalyst materials and could be employed for the degradation of other dyes in the future.
AIE+ESIPT Active Hydroxybenzothiazole for Intracellular Detection of Cu2+: Anticancer and Anticounterfeiting Applications
Authors: Kaur Rajdeep , Kour Rasdeep , Marok Satwinder Singh , Kaur Satwinderjeet , Singh Prabhpreet
Published: November 2022

Here, in the present work, a new hydroxybenzothiazole derivative (HBT 2) with AIE+ESIPT features was synthesized by Suzuki–Miyora coupling of HBT 1 with 4-formylphenylboronic acid. The AIE and ESIPT features were confirmed by optical, microscopic (AFM) and dynamic light scattering (DLS) techniques. The yellow fluorescent aggregates of HBT 2 can specifically detect Cu2+/Cu+ ions with limits of detection as low as 250 nM and 69 nM. The Job’s plot revealed the formation of a 1:1 complex. The Cu2+ complexation was further confirmed by optical, NMR, AFM and DLS techniques. HBT 2 was also used for the detection of Cu2+ ions in real water samples collected from different regions of Punjab. HBT 2 was successfully used for the bio-imaging of Cu2+ ions in live A549 and its anticancer activity was checked on different cancer cell lines, such as MG63, and HeLa, and normal cell lines such as L929. We successfully utilized HBT 2 to develop security labels for anticounterfeiting applications.
Design and Development of Magnetic Iron Core Gold Nanoparticle-Based Fluorescent Multiplex Assay to Detect Salmonella
Authors: Zhao Xinyi , Smith Gwendoline , Javed Bilal , Dee Garret , Gun’ko Yurii K. , Curtin James , Byrne Hugh J. , O’Connor Christine , Tian Furong
Published: November 2022

Salmonella is a bacterial pathogen which is one of the leading causes of severe illnesses in humans. The current study involved the design and development of two methods, respectively using iron oxide nanoparticle (IONP) and iron core gold nanoparticle (ICGNP), conjugated with the Salmonella antibody and the fluorophore, 4-Methylumbelliferyl Caprylate (4-MUCAP), used as an indicator, for its selective and sensitive detection in contaminated food products. Twenty double-blind beverage samples, spiked with Salmonella enteritidis, Staphylococcus aureus, and Escherichia coli, were prepared in sterile Eppendorf® tubes at room temperature. The gold layer and spikes of ICGNPs increased the surface areas. The ratio of the surface area is 0.76 (IONPs/ICGNPs). The comparative sensitivity and specificity of the IONP-based and the ICGNP-based methods to detect Salmonella were determined. The ICGNP method shows the limit of detection is 32 Salmonella per mL. The ICGNPs had an 83.3% sensitivity and a 92.9% specificity value for the presence and detection of Salmonella. The IONP method resulted in a limit of detection of 150 Salmonella per mL, and a 66.7% sensitivity and 83.3% specificity for the presence and detection of Salmonella. The higher surface area of ICGNPs increases the efficiency of detection. The monitoring of Salmonella can thus be achieved by a rapid magnetic fluorescent assay using a smartphone for image capture and analyze, providing quantitative results. The findings from the present study would help to detect Salmonella rapidly in water. It can improve the microbial quality of water and food safety due to the presence of Salmonella in the water environment.
Preparation of UV-Curable Nano-WO3Coating and Its Infrared Shielding Properties
Authors: Wang Zhengjie , Zhong Rong , Lai Ting , Chen Tianlei
Published: November 2022

Nano-WO3 particles are expected to find use in new shielding materials because of their significant absorption of near-infrared light in the 1400–1600 nm and 1900–2200 nm bands and high transmittance of visible light. In this study, WO3 was ground and dispersed using high-energy ball-milling to prepare a nano-WO3 dispersion using BYK331 as the dispersant and ethanol as the solvent. The prepared nano-WO3 dispersion was added to a photo-curing system and cured using UV irradiation to form films. The cured films were characterized using FT-IR, SEM, XRD, and TGA. The results showed that the nano-WO3 powder was evenly dispersed in the coating. The infrared blocking rate of the film continuously improved and the visible light transmission rate continuously decreased with increasing amounts of nano-WO3.For the film containing 6 wt%nano-WO3, the infrared blocking rate of the coating is 90%, the visible light transmittance is 70%, the hardness of the coating is 3B, and the adhesion is 3H. The thermal stability of the coating is also improved.
Improved Dehydrogenation Properties of LiAlH4 by Addition of Nanosized CoTiO3
Authors: Ali Nurul Amirah , Ahmad Muhammad Amirul Nawi , Yahya Muhammad Syarifuddin , Sazelee Noratiqah , Ismail Mohammad
Published: November 2022

Despite the application of lithium aluminium hydride (LiAlH4) being hindered by its sluggish desorption kinetics and unfavourable reversibility, LiAlH4 has received special attention as a promising solid-state hydrogen storage material due to its hydrogen storage capacity (10.5 wt.%). In this work, investigated for the first time was the effect of the nanosized cobalt titanate (CoTiO3) which was synthesised via a solid-state method on the desorption behaviour of LiAlH4. Superior desorption behaviour of LiAlH4 was attained with the presence of a CoTiO3 additive. By means of the addition of 5, 10, 15 and 20 wt.% of CoTiO3, the initial desorption temperature of LiAlH4 for the first stage was reduced to around 115–120 °C and the second desorption stage was reduced to around 144–150 °C, much lower than for undoped LiAlH4. The LiAlH4-CoTiO3 sample also presents outstanding desorption kinetics behaviour, desorbing hydrogen 30–35 times faster than undoped LiAlH4. The LiAlH4-CoTiO3 sample could desorb 3.0–3.5 wt.% H2 in 30 min, while the commercial and milled LiAlH4 desorbs <0.1 wt.% H2. The apparent activation energy of the LiAlH4-CoTiO3 sample based on the Kissinger analysis was decreased to 75.2 and 91.8 kJ/mol for the first and second desorption stage, respectively, lower by 28.0 and 24.9 kJ/mol than undoped LiAlH4. The LiAlH4-CoTiO3 sample presents uniform and smaller particle size distribution compared to undoped LiAlH4, which is irregular in shape with some agglomerations. The experimental results suggest that the CoTiO3 additive promoted notable advancements in the desorption performance of LiAlH4 through the in situ-formed AlTi and amorphous Co or Co-containing active species that were generated during the desorption process.
Ion Lithography of Single Ions Irradiation for Spatially Regular Arrays of Pores in Membranes of Polyethylene Terephthalate
Authors: Cutroneo Mariapompea , Hnatowicz Vladimir , Mackova Anna , Malinsky Petr , Miksova Romana , Ceccio Giovanni , Maly Jan , Smejkal Jiří , Štofik Marcel , Havranek Vladimir
Published: November 2022

Routinely, in membrane technology, the decay from radioactive particles or the bombardment of ions with MeV energy per nucleon have been employed for the production of narrow and long pores in membranes. Presently, the ion lithography is proposed to make the fabrication cost more affordable. It is prospective for the use of medium capacity accelerators making more feasible the fabrication of customized membranes. Thin polyethylene terephthalate foils have been patterned using 12 MeV O5+ ions and then processed to obtain good aspect ratio ion track pores in membranes. Pores of micrometric diameter with the following profiles were fabricated in the membranes: truncated cone, double conical, ideal cone, and cylindrical. Monitoring of the shape and size of pores has been attempted with a combination of Scanning Transmission Ion Microscope and a newly designed simulation program. This study is focused on the use of low-energy ions, accomplished in all laboratories, for the fabrication of membranes where the pores are not randomly traced and exhibit higher surface density and negligible overlapping than in membranes commonly manufactured. The good reproducibility and the ordered pore locations can be potentially utilized in applications such as microfluidics and organ-on-chip microsystems, where cells growing over porous substrates are used in simulation of biological barriers and transport processes.