bluuebunny/crossref_metadata_2025 huggingface dataset:
Entropy Analysis and Melting Heat Transfer in the Carreau Thin Hybrid Nanofluid Film Flow
Authors: Naganthran Kohilavani , Nazar Roslinda , Siri Zailan , Hashim Ishak
Published: December 2021

Melting heat transfer has a vital role in forming energy storage devices such as flexible thin film supercapacitors. This idea should be welcomed in the thin film theoretical models to sustain technological advancement, which could later benefit humankind. Hence, the present work endeavors to incorporate the melting heat transfer effect on the Carreau thin hybrid nanofluid film flow over an unsteady accelerating sheet. The mathematical model that obeyed the boundary layer theory has been transformed into a solvable form via an apt similarity transformation. Furthermore, the collocation method, communicated through the MATLAB built-in bvp4c function, solved the model numerically. Non-uniqueness solutions have been identified, and solutions with negative film thickness are unreliable. The melting heat transfer effect lowers the heat transfer rate without affecting the liquid film thickness, while the Carreau hybrid nanofluid contributes more entropy than the Carreau nanofluid in the flow regime.
A Modern Industrial Policy for the Czech Republic: Optimizing the Structure of Production
Authors: Markaki Maria , Papadakis Stelios , Putnová Anna
Published: December 2021

The decreased demand for new vehicles will put pressure on the economy of the Czech Republic, a country deeply integrated into global value chains, as part of global vehicle production. The aim of this research was to define an appropriate industrial policy for the Czech Republic that will ensure that the country maintains its competitive position in the global market. A constrained optimization model was built, based on input–output analysis, to determine the optimal value-added structure and the intersectoral structure of the Czech economy for the country to retain its exporting character. The optimization problem was solved by using a particle swarm optimization algorithm. The results suggest that the optimal industrial policy plan for the country is the structural transformation of production, mainly targeting the development of technologically advanced sectors of manufacturing (such as: chemicals and chemical products; basic pharmaceutical products; computer, electronic, and optical products; electrical equipment; and machinery and equipment). The suggested restructuring process increased the domestic value-added in gross exports as a share of total exports by 6.77%, creating optimal production capabilities for the economy. The Czech Republic appears to have the potential for the implementation of an industrial policy, avoiding the increasingly vulnerable motor-vehicle sector.
A Soft-YoloV4 for High-Performance Head Detection and Counting
Authors: Zhang Zhen , Xia Shihao , Cai Yuxing , Yang Cuimei , Zeng Shaoning
Published: December 2021

Blockage of pedestrians will cause inaccurate people counting, and people’s heads are easily blocked by each other in crowded occasions. To reduce missed detections as much as possible and improve the capability of the detection model, this paper proposes a new people counting method, named Soft-YoloV4, by attenuating the score of adjacent detection frames to prevent the occurrence of missed detection. The proposed Soft-YoloV4 improves the accuracy of people counting and reduces the incorrect elimination of the detection frames when heads are blocked by each other. Compared with the state-of-the-art YoloV4, the AP value of the proposed head detection method is increased from 88.52 to 90.54%. The Soft-YoloV4 model has much higher robustness and a lower missed detection rate for head detection, and therefore it dramatically improves the accuracy of people counting.
Optimal Control Applied to Vaccination and Testing Policies for COVID-19
Authors: Olivares Alberto , Staffetti Ernesto
Published: December 2021

In this paper, several policies for controlling the spread of SARS-CoV-2 are determined under the assumption that a limited number of effective COVID-19 vaccines and tests are available. These policies are calculated for different vaccination scenarios representing vaccine supply and administration restrictions, plus their impacts on the disease transmission are analyzed. The policies are determined by solving optimal control problems of a compartmental epidemic model, in which the control variables are the vaccination rate and the testing rate for the detection of asymptomatic infected people. A combination of the proportion of threatened and deceased people together with the cost of vaccination of susceptible people, and detection of asymptomatic infected people, is taken as the objective functional to be minimized, whereas different types of algebraic constraints are considered to represent several vaccination scenarios. A direct transcription method is employed to solve these optimal control problems. More specifically, the Hermite–Simpson collocation technique is used. The results of the numerical experiments show that the optimal control approach offers healthcare system managers a helpful resource for designing vaccination programs and testing plans to prevent COVID-19 transmission.
Minimizing Cholesterol-Induced Aggregation of Membrane-Interacting DNA Origami Nanostructures
Authors: Daljit Singh Jasleen Kaur , Luu Minh Tri , Berengut Jonathan F. , Abbas Ali , Baker Matthew A. B. , Wickham Shelley F. J.
Published: December 2021

DNA nanotechnology provides methods for building custom membrane-interacting nanostructures with diverse functions, such as shaping membranes, tethering defined numbers of membrane proteins, and transmembrane nanopores. The modification of DNA nanostructures with hydrophobic groups, such as cholesterol, is required to facilitate membrane interactions. However, cholesterol-induced aggregation of DNA origami nanostructures remains a challenge. Aggregation can result in reduced assembly yield, defective structures, and the inhibition of membrane interaction. Here, we quantify the assembly yield of two cholesterol-modified DNA origami nanostructures: a 2D DNA origami tile (DOT) and a 3D DNA origami barrel (DOB), by gel electrophoresis. We found that the DOT assembly yield (relative to the no cholesterol control) could be maximised by reducing the number of cholesterols from 6 to 1 (2 ± 0.2% to 100 ± 2%), optimising the separation between adjacent cholesterols (64 ± 26% to 78 ± 30%), decreasing spacer length (38 ± 20% to 95 ± 5%), and using protective ssDNA 10T overhangs (38 ± 20% to 87 ± 6%). Two-step folding protocols for the DOB, where cholesterol strands are added in a second step, did not improve the yield. Detergent improved the yield of distal cholesterol configurations (26 ± 22% to 92 ± 12%), but samples re-aggregated after detergent removal (74 ± 3%). Finally, we confirmed functional membrane binding of the cholesterol-modified nanostructures. These findings provide fundamental guidelines to reducing the cholesterol-induced aggregation of membrane-interacting 2D and 3D DNA origami nanostructures, improving the yield of well-formed structures to facilitate future applications in nanomedicine and biophysics.
Line-Edge Roughness from Extreme Ultraviolet Lithography to Fin-Field-Effect-Transistor: Computational Study
Authors: Kim Sang-Kon
Published: December 2021

Although extreme ultraviolet lithography (EUVL) has potential to enable 5-nm half-pitch resolution in semiconductor manufacturing, it faces a number of persistent challenges. Line-edge roughness (LER) is one of critical issues that significantly affect critical dimension (CD) and device performance because LER does not scale along with feature size. For LER creation and impacts, better understanding of EUVL process mechanism and LER impacts on fin-field-effect-transistors (FinFETs) performance is important for the development of new resist materials and transistor structure. In this paper, for causes of LER, a modeling of EUVL processes with 5-nm pattern performance was introduced using Monte Carlo method by describing the stochastic fluctuation of exposure due to photon-shot noise and resist blur. LER impacts on FinFET performance were investigated using a compact device method. Electric potential and drain current with fin-width roughness (FWR) based on LER and line-width roughness (LWR) were fluctuated regularly and quantized as performance degradation of FinFETs.
Prediction of Nonlinear Micro-Milling Force with a Novel Minimum Uncut Chip Thickness Model
Authors: Liu Tongshun , Zhang Kedong , Wang Gang , Wang Chengdong
Published: December 2021

The minimum uncut chip thickness (MUCT), dividing the cutting zone into the shear region and the ploughing region, has a strong nonlinear effect on the cutting force of micro-milling. Determining the MUCT value is fundamental in order to predict the micro-milling force. In this study, based on the assumption that the normal shear force and the normal ploughing force are equivalent at the MUCT point, a novel analytical MUCT model considering the comprehensive effect of shear stress, friction angle, ploughing coefficient and cutting-edge radius is constructed to determine the MUCT. Nonlinear piecewise cutting force coefficient functions with the novel MUCT as the break point are constructed to represent the distribution of the shear/ploughing force under the effect of the minimum uncut chip thickness. By integrating the cutting force coefficient function, the nonlinear micro-milling force is predicted. Theoretical analysis shows that the nonlinear cutting force coefficient function embedded with the novel MUCT is absolutely integrable, making the micro-milling force model more stable and accurate than the conventional models. Moreover, by considering different factors in the MUCT model, the proposed micro-milling force model is more flexible than the traditional models. Micro-milling experiments under different cutting conditions have verified the efficiency and improvement of the proposed micro-milling force model.
Fabrication of a Solution-Processed White Light Emitting Diode Containing a Single Dimeric Copper(I) Emitter Featuring Combined TADF and Phosphorescence
Authors: Cheng Gang , Zhou Dongling , Monkowius Uwe , Yersin Hartmut
Published: December 2021

Luminescent copper(I) complexes showing thermally activated delayed fluorescence (TADF) have developed to attractive emitter materials for organic light emitting diodes (OLEDs). Here, we study the brightly luminescent dimer Cu2Cl2(P∩N)2 (P∩N = diphenylphosphanyl-6-methyl-pyridine), which shows both TADF and phosphorescence at ambient temperature. A solution-processed OLED with a device structure ITO/PEDOT:PSS/PYD2: Cu2Cl2(P∩N)2/DPEPO (10 nm)/TPBi (40 nm)/LiF (1.2 nm)/Al (100 nm) shows warm white emission with moderate external quantum efficiency (EQE). Methods for EQE increase strategies are discussed.
Micro/Nanopatterned Superhydrophobic Surfaces Fabrication for Biomolecules and Biomaterials Manipulation and Analysis
Authors: Allione Marco , Limongi Tania , Marini Monica , Torre Bruno , Zhang Peng , Moretti Manola , Perozziello Gerardo , Candeloro Patrizio , Napione Lucia , Pirri Candido Fabrizio , Di Fabrizio Enzo
Published: December 2021

Superhydrophobic surfaces display an extraordinary repulsion to water and water-based solutions. This effect emerges from the interplay of intrinsic hydrophobicity of the surface and its morphology. These surfaces have been established for a long time and have been studied for decades. The increasing interest in recent years has been focused towards applications in many different fields and, in particular, biomedical applications. In this paper, we review the progress achieved in the last years in the fabrication of regularly patterned superhydrophobic surfaces in many different materials and their exploitation for the manipulation and characterization of biomaterial, with particular emphasis on the issues affecting the yields of the fabrication processes and the quality of the manufactured devices.
Structure-Function Characteristics of SARS-CoV-2 Proteases and Their Potential Inhibitors from Microbial Sources
Authors: Razali Rafida , Asis Haslina , Budiman Cahyo
Published: December 2021

The COVID-19 pandemic, caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), is considered the greatest challenge to the global health community of the century as it continues to expand. This has prompted immediate urgency to discover promising drug targets for the treatment of COVID-19. The SARS-CoV-2 viral proteases, 3-chymotrypsin-like protease (3CLpro) and papain-like cysteine protease (PLpro), have become the promising target to study due to their essential functions in spreading the virus by RNA transcription, translation, protein synthesis, processing and modification, virus replication, and infection of the host. As such, understanding of the structure and function of these two proteases is unavoidable as platforms for the development of inhibitors targeting this protein which further arrest the infection and spread of the virus. While the abundance of reports on the screening of natural compounds such as SARS-CoV-2 proteases inhibitors are available, the microorganisms-based compounds (peptides and non-peptides) remain less studied. Indeed, microorganisms-based compounds are also one of the potent antiviral candidates against COVID-19. Microbes, especially bacteria and fungi, are other resources to produce new drugs as well as nucleosides, nucleotides, and nucleic acids. Thus, we have compiled various reported literature in detail on the structures, functions of the SARS-CoV-2 proteases, and potential inhibitors from microbial sources as assistance to other researchers working with COVID-19. The compounds are also compared to HIV protease inhibitors which suggested the microorganisms-based compounds are advantageous as SARS-CoV2 proteases inhibitors. The information should serve as a platform for further development of COVID-19 drug design strategies.
Hydrothermal Sphalerites from Ore Deposits of Baia Mare Area
Authors: Damian Gheorghe , Buzatu Andrei , Apopei Andrei Ionuţ , Damian Floarea , Maftei Andreea Elena
Published: December 2021

Sphalerite is an abundant mineral in the hydrothermal deposits from the Baia Mare and Oaș areas (northwestern Romania). Sphalerite samples were analyzed with an electron probe microanalyzer and Raman spectroscopy. The obtained results indicated different amounts of Fe in the various deposits from the Baia Mare and Oaș areas. The sphalerites from Baia Sprie, Cavnic, Iba, Turț Penigher, and Breiner have a low Fe wt.% content. High Fe wt.% contents are at Herja and partly at Ghezuri and Nistru (copper stage) where sphalerite is associated with pyrrhotite. The correlation between iron and zinc from sphalerites is strongly negative. The negative correlation shows that iron is the main element that replaces zinc in the sphalerite structure. The manganese content of sphalerites in the Baia Mare and Oaș area is up to 0.84 wt.%. The cadmium content is quite uniform in the Baia Mare and Oaș area with contents ranging from 0.01 to 0.72 wt.%. The Fe content of sphalerites is an important indicator of the physico-chemical conditions of deposit formation because it is a function of temperature, pressure, and sulfur fugacity.
Interaction between Microbes, Minerals, and Fluids in Deep-Sea Hydrothermal Systems
Authors: Dasgupta Shamik , Peng Xiaotong , Ta Kaiwen
Published: December 2021

The discovery of deep-sea hydrothermal vents in the late 1970s widened the limits of life and habitability. The mixing of oxidizing seawater and reduction of hydrothermal fluids create a chemical disequilibrium that is exploited by chemosynthetic bacteria and archaea to harness energy by converting inorganic carbon into organic biomass. Due to the rich variety of chemical sources and steep physico-chemical gradients, a large array of microorganisms thrive in these extreme environments, which includes but are not restricted to chemolithoautotrophs, heterotrophs, and mixotrophs. Past research has revealed the underlying relationship of these microbial communities with the subsurface geology and hydrothermal geochemistry. Endolithic microbial communities at the ocean floor catalyze a number of redox reactions through various metabolic activities. Hydrothermal chimneys harbor Fe-reducers, sulfur-reducers, sulfide and H2-oxidizers, methanogens, and heterotrophs that continuously interact with the basaltic, carbonate, or ultramafic basement rocks for energy-yielding reactions. Here, we briefly review the global deep-sea hydrothermal systems, microbial diversity, and microbe–mineral interactions therein to obtain in-depth knowledge of the biogeochemistry in such a unique and geologically critical subseafloor environment.
Sources, Spatial Distribution and Extent of Heavy Metals in Relation to Land Use, Lithology and Landform in Fuzhou City, China
Authors: Sodango Terefe Hanchiso , Li Xiaomei , Sha Jinming , Shang Jiali , Bao Zhongcong
Published: December 2021

Assessing the spatial distribution of soil heavy metals in urban areas in relation to land use, lithology and landform may provide insights for soil quality monitoring. This study evaluated the spatial distribution, the sources and the extent of heavy metal(loid)s in the topsoil of Fuzhou city, China. A combination of GIS and multivariate approaches was used to determine the spatial distribution and the sources of heavy metals. Additionally, analysis of variance was used to determine the variability of selected heavy metals across land use, landform, and lithology. The result show that the mean concentrations of Cd, Zn, As and Pb were higher than background values. Most of the heavy metals had significant correlations with each other. In particular, V and Fe (0.84 at p < 0.01) and Ni and Cr (0.74 at p < 0.01) had strong correlations, while Cu and Fe (0.68 at p < 0.01), Cu and V (0.63 at p < 0.01), Cu and Co (0.52 at p < 0.01), Zn and Ni (0.51 at p < 0.01), Co and Fe (0.54 at p < 0.01), and Cu and Zn (0.55 at p < 0.01) had moderate correlations. Arsenic, Cu, and Zn had significant positive correlations with total nitrogen (TN). Similarly, arsenic, Zn and Cr had positive correlations with total carbon (TC), while Co had negative correlations with TN and TC at p < 0.01. The peak values for Cr, Ni, Pb, Mn, and Zn were observed in the intensively urbanized central and eastern parts of the study area, suggesting that the main sources might be anthropogenic activities. Agricultural land use had the highest content of Cd, which may be attributed to the historical long-term application of agrochemicals in the area. Additionally, its content was significantly higher in agricultural land use with shale lithology, implying that shale lithology was a key geogenic source for Cd of soils in the study area. Pb content was affected by urban land use, which may be attributed to intensive human activities such as emissions from vehicles, industrial effluents, mining activities, and other discharges. The results show the high spatial variability of heavy metal(loid)s, implying that the soils in the study area were highly influenced by both geogenic variability and human activities. Moreover, land use and lithology had significant impacts on the variability of Cd, As and Pb. Sustainable agricultural practices and urban management are recommended to sustain the eco-environment of coastal city.
Study on the Modification of Confining Rock for Protecting Coal Roadways against Impact Loads from a Roof Stratum
Authors: Yi Haiyang , Ouyang Zhenhua , Zhou Xinxin , Li Zhengsheng , Chen Jianqiang , Li Kang , Liu Kunlun
Published: December 2021

Promoting the ability of anti-bursting of the confining rock of a coal roadway is of significant importance to the safe production of a coal mine. In particular, in deep-buried coal mines, highly frequent rock burst occurs due to large earth pressure and complex geological conditions, which needs serious improvement. This paper investigated a type of confining rock modified method, which can modify the physical properties of the surrounding rock and form a crack region and a reinforced region by blasting and grouting reinforcement. Based on a set of physical model experiments and numerical modeling, the results of a comparative analysis between a normal roadway and the modified roadway in the static stress redistribution, dynamic stress, damage evolution, and energy dissipation suggest that the modified confining rock is capable of protecting the coal roadway against rock burst from roof stratum, obviously reducing and transferring the concentered static–dynamic stress out of the cracked region, dissipating the dynamic energy by plastic damage in the cracked region, and keeping the integrity of the reinforced region. In addition, the velocity of the dynamic stress vibration wave at the surface of the modified coal roadway is obviously reduced, which is beneficial for decreasing the movement of cracked rock blocks and protecting the lives and goods in the coal roadway.
Sound Velocity Measurement of Shock-Compressed Quartz at Extreme Conditions
Authors: Sun Liang , Zhang Huan , Guan Zanyang , Yang Weiming , Zhang Youjun , Sekine Toshimori , Duan Xiaoxi , Wang Zhebin , Yang Jiamin
Published: December 2021

The physical properties of basic minerals such as magnesium silicates, oxides, and silica at extreme conditions, up to 1000 s of GPa, are crucial to understand the behaviors of magma oceans and melting in Super-Earths discovered to data. Their sound velocity at the conditions relevant to the Super-Earth’s mantle is a key parameter for melting process in determining the physical and chemical evolution of planetary interiors. In this article, we used laser indirectly driven shock compression for quartz to document the sound velocity of quartz at pressures of 270 GPa to 870 GPa during lateral unloadings in a high-power laser facility in China. These measurements demonstrate and improve the technique proposed by Li et al. [PRL 120, 215703 (2018)] to determine the sound velocity. The results compare favorably to the SESAME EoS table and previous data. The Grüneisen parameter at extreme conditions was also calculated from sound velocity data. The data presented in our experiment also provide new information on sound velocity to support the dissociation and metallization for liquid quartz at extreme conditions.
New Facile One-Pot Synthesis of Isobutyl Thiocarbamate in Recycling Solvent Mixture
Authors: Milentijević Goran , Marinković Aleksandar , Rančić Milica , Bogdanović Aleksandra , Prlainović Nevena , Marković Smiljana , Milosavljević Milutin
Published: December 2021

The specific objectives of the presented study were related to the optimization of the production process of N-alkyl-, N,N-dialkyl-, and N-cycloalkyl-O-isobutyl thiocarbamate; trial industrial production of N-ethyl-O-isobutyl thiocarbamate; and the evaluation of flotation efficiency of N-ethyl-O-isobutyl thiocarbamate using a real ore sample. The optimization of thiocarbamate syntheses were performed by varying the molar ratio of isobutyl alcohol, carbon disulfide, potassium hydroxide, reaction time, and reaction temperature. In the first step, one-pot reaction took place to produce alkyl xanthate and was followed with chlorination to give alkyl chloroformate (O-alkyl carbonochloridothioate); finally, thiocarbamates were obtained by the reaction with corresponding amines. N-alkyl-O-ethyl thiocarbamate was synthesized as a comparative flotation agent. The structure of the synthesized compounds was confirmed by IR, 1H and 13C NMR, and MS instrumental methods, and the purity was determined by gas chromatographic method and elemental analysis. The optimized methods gave high-purity products in a significant yield that was also confirmed by semi-industrial production of N-ethyl-O-isobutyl thiocarbamate. The optimized thiocarbamate synthesis, without isolation of intermediates, is of great importance from the aspect of green technologies. Flotation efficiency test results, using real copper and zinc ores, showed the highest activity of N-ethyl-O-isobutyl thiocarbamate. The optimal one-pot thiocarbamate synthesis provides a simple procedure with a high conversion degree, and, thus, offers valuable technology applicable at the industrial scale.
Research on the Rapid Strengthening Mechanism of Microwave Field-Controlled Gypsum-Cemented Analog Materials
Authors: Nan Senlin , Li Wentao , Guan Weiming , Liu Huabin , Zhao Hongchao , Wen Yingyuan , Yao Junhui
Published: December 2021

Various geotechnical experiments have used gypsum-cemented analog geotechnical materials. However, this material needs a long curing time, and the target strength is not easy to control. Therefore, this research adopted microwave heating as the curing method for this kind of material. Objectively, the authors investigated the variations in the material strength versus heating power and heating time. On this basis, we clarified the influence mechanism of microwaves on the strength of analog materials by analyzing material temperature, moisture content, and microstructure, which eventually led to an experimental control method for rapid strengthening of microwave field-controlled gypsum-cemented analog materials. Consequently, we drew the following conclusions. The stable strength of the material under high-power microwave curing was much lower than that under natural curing, while the material strength under low-power microwave curing was the closest to the material under natural curing.
The Role of Microorganisms in the Formation, Dissolution, and Transformation of Secondary Minerals in Mine Rock and Drainage: A Review
Authors: Ortiz-Castillo Jose , Mirazimi Mohamad , Mohammadi Maryam , Dy Eben , Liu Wenying
Published: December 2021

Mine waste rock and drainage pose lasting environmental, social, and economic threats to the mining industry, regulatory agencies, and society as a whole. Mine drainage can be alkaline, neutral, moderately, or extremely acidic and contains significant levels of sulfate, dissolved iron, and, frequently, a variety of heavy metals and metalloids, such as cadmium, lead, arsenic, and selenium. In acid neutralization by carbonate and silicate minerals, a range of secondary minerals can form and possibly scavenge these potentially harmful elements. Apart from the extensively studied microbial-facilitated sulfide oxidation, the diverse microbial communities present in mine rock and drainage may also participate in the formation, dissolution, and transformation of secondary minerals, influencing the mobilization of these metals and metalloids. This article reviews major microbial-mediated geochemical processes occurring in mine rock piles that affect drainage chemistry, with a focus on the role of microorganisms in the formation, dissolution, and transformation of secondary minerals. Understanding this is crucial for developing biologically-based measures to deal with contaminant release at the source, i.e., source control.
Anion Composition of Apatite in the Au-Cu Epithermal Deposit of Palai-Islica (Almería, SE Spain) as an Indicator of Hydrothermal Alteration
Authors: Carrillo-Rosúa Javier , Esteban-Arispe Iñaki , Morales-Ruano Salvador
Published: December 2021

The Palai-Islica deposit (Almería, SE Spain) is an Au-Cu epithermal deposit hosted in Neogene calc-alkaline andesites and dacites from the Cabo de Gata-Cartagena volcanic belt in the Betic Cordillera. Major element compositions of apatite from Palai-Islica orebody and related hydrothermally altered and unaltered volcanic rock from the region hosting the deposit were obtained to clarify the processes involved in their formation. Apatite in the host volcanic rocks is rich in chlorapatite and hydroxylapatite components (50–57% and 24–36%) and poor in fluorapatite components (12–21%), indicating assimilation processes of cortical Cl-rich material in the magmatic evolution. Apatite in the orebody sometimes has corrosion textures and is mostly fluorapatite (94–100%). Apatite from the hydrothermally altered host rock of the orebody systematically bears signs of corrosion and has variable and intermediate fluorapatite (19–100%), chlorapatite (1–50%), and hydroxylapatite (0–47%) components. The style of zonation and the composition are related to the proximity to the orebody. These features can be interpreted as the result of hydrothermal modification of high Cl, OH-rich volcanic apatites into F-rich apatites. The enrichment of F is related to the intensity of hydrothermal alteration and could therefore constitute a geochemical index of alteration and of mineralization processes.
Two New Isoprenoid Flavonoids from Sophora flavescens with Antioxidant and Cytotoxic Activities
Authors: Li Jingjing , Lin Yan , He Lei , Ou Rongxiu , Chen Tao , Zhang Xu , Li Qirui , Zeng Zhu , Long Qingde
Published: December 2021

Sophora flavescens is a regularly used traditional Chinese medicine. In an attempt to discover adequate active agents, the isoprenoid flavonoids from S. flavescens were further investigated. In this work, two new compounds (1–2, kurarinol A-B) together with 26 known ones (3–28) were isolated and elucidated on the basis of extensive NMR, UV and MS analyses. Furthermore, the antioxidant activity of all constituents was assessed through ABTS, PTIO and DPPH methodologies and also were evaluated for cytotoxic activity by three tumor cell lines (HepG2, A549 and MCF7) and one human normal cell line (LO2 cells). As a result, a multitude of components revealed significant inhibitory activity. In particular, compound 1–2 (kurarinol A-B), two new flavanonols derivatives, exhibited the most potent ABTS inhibitory activity with IC50 of 1.21 µg/mL and 1.81 µg/mL, respectively. Meanwhile, the new compound 1 demonstrated remarkable cytotoxicity against three cancer cells lines with IC50 values ranging from 7.50–10.55 μM but showed little effect on the normal cell. The two new isoprenoid flavonoids could be promising antioxidant and anti-tumor nature agents.
Adsorptive Capture of Ionic and Non-Ionic Pollutants Using a Versatile Hybrid Amphiphilic-Nanomica
Authors: Aguado Fernando , Martín-Rodríguez Rosa , Pesquera Carmen , Valiente Rafael , Perdigón Ana C.
Published: December 2021

A versatile, functional nanomaterial for the removal of ionic and non-ionic pollutants is presented in this work. For that purpose, the high charge mica Na-4-Mica was exchanged with the cationic surfactant (C16H33NH(CH3)2)+. The intercalation of the tertiary amine in the swellable nano-clay provides the optimal hydrophilic/hydrophobic nature in the bidimensional galleries of the nanomaterial responsible for the dual functionality. The organo-mica, made by functionalization with C16H33NH3+, was also synthesized for comparison purposes. Both samples were characterized by X-ray diffraction techniques and transmission electron microscopy. Then, the samples were exposed to a saturated atmosphere of cyclohexylamine for two days, and the adsorption capacity was evaluated by thermogravimetric measurements. Eu3+ cations served as a proof of concept for the adsorption of ionic pollutants in an aqueous solution. Optical measurements were used to identify the adsorption mechanism of Eu3+ cations, since Eu3+ emissions, including the relative intensity of different f–f transitions and the luminescence lifetime, can be used as an ideal spectroscopic probe to characterize the local environment. Finally, the stability of the amphiphilic hybrid nanomaterial after the adsorption was also tested.
Synthesis of SDS-Modified Pt/Ti3C2Tx Nanocomposite Catalysts and Electrochemical Performance for Ethanol Oxidation
Authors: Yang Beibei , Qin Tian , Bao Ziping , Lu Wenqian , Dong Jiayu , Bin Duan , Lu Hongbin
Published: December 2021

It is well-known that platinum (Pt) is still the preferred material of anode catalyst in ethanol oxidation, however, the prohibitive high cost and CO poisoning of Pt metal impede the commercialization of fuel cells. Therefore, improving the utilization rate of catalysts and reduce the cost of catalyst become one of the most concerned focus in the construction of fuel cells. In this work, the Pt-based catalysts are synthesized by using different content of sodium dodecyl sulfate (SDS) modified-Ti3C2Tx support, and the dispersion regulation function of SDS modified-Ti3C2Tx supported on Pt nanoparticles is investigated. The structure, composition and morphology of different catalysts are characterized by X-ray diffraction (XRD), X-ray spectroscopy (EDX), transmission electron microscopy (TEM) and high-resolution TEM, respectively. It is found that the Pt nanoparticles in pure Ti3C2Tx surface are serious aggregated and show poor dispersion, whereas the Pt nanoparticles in SDS modified-Ti3C2Tx have a better dispersion. The electrochemical results revealed that SDS modified-Ti3C2Tx supported Pt nanoparticles has higher electrocatalytic activity and stability in both acidic and alkaline ethanol oxidation when the dosage of SDS increases to 100 mg. These findings indicate that the SDS-Ti3C2Tx/Pt catalysts show a promising future of potential applications in fuel cells with modification of Ti3C2Tx support.
Encapsulation of Photothermal Nanoparticles in Stealth and pH-Responsive Micelles for Eradication of Infectious Biofilms In Vitro and In Vivo
Authors: Gao Ruifang , Su Linzhu , Yu Tianrong , Liu Jian , van der Mei Henny C. , Ren Yijin , Chen Gaojian , Shi Linqi , Peterson Brandon W. , Busscher Henk J.
Published: December 2021

Photothermal nanoparticles can be used for non-antibiotic-based eradication of infectious biofilms, but this may cause collateral damage to tissue surrounding an infection site. In order to prevent collateral tissue damage, we encapsulated photothermal polydopamine-nanoparticles (PDA-NPs) in mixed shell polymeric micelles, composed of stealth polyethylene glycol (PEG) and pH-sensitive poly(β-amino ester) (PAE). To achieve encapsulation, PDA-NPs were made hydrophobic by electrostatic binding of indocyanine green (ICG). Coupling of ICG enhanced the photothermal conversion efficacy of PDA-NPs from 33% to 47%. Photothermal conversion was not affected by micellar encapsulation. No cytotoxicity or hemolytic effects of PEG-PAE encapsulated PDA-ICG-NPs were observed. PEG-PAE encapsulated PDA-ICG-NPs showed good penetration and accumulation in a Staphylococcus aureus biofilm. Penetration and accumulation were absent when nanoparticles were encapsulated in PEG-micelles without a pH-responsive moiety. PDA-ICG-NPs encapsulated in PEG-PAE-micelles found their way through the blood circulation to a sub-cutaneous infection site after tail-vein injection in mice, yielding faster eradication of infections upon near-infrared (NIR) irradiation than could be achieved after encapsulation in PEG-micelles. Moreover, staphylococcal counts in surrounding tissue were reduced facilitating faster wound healing. Thus, the combined effect of targeting and localized NIR irradiation prevented collateral tissue damage while eradicating an infectious biofilm.
Graphene Family Nanomaterials (GFN)-TiO2 for the Photocatalytic Removal of Water and Air Pollutants: Synthesis, Characterization, and Applications
Authors: Lin Chih-Hsien , Chen Wei-Hsiang
Published: December 2021

Given the industrial revolutions and resource scarcity, the development of green technologies which aims to conserve resources and reduce the negative impacts of technology on the environment has become a critical issue of concern. One example is heterogeneous photocatalytic degradation. Titanium dioxide (TiO2) has been intensively researched given its low toxicity and photocatalytic effects under ultraviolet (UV) light irradiation. The advantages conferred by the physical and electrochemical properties of graphene family nanomaterials (GFN) have contributed to the combination of GFN and TiO2 as well as the current variety of GFN-TiO2 catalysts that have exhibited improved characteristics such as greater electron transfer and narrower bandgaps for more potential applications, including those under visible light irradiation. In this review, points of view on the intrinsic properties of TiO2, GFNs (pristine graphene, graphene oxide (GO), reduced GO, and graphene quantum dots (GQDs)), and GFN-TiO2 are presented. This review also explains practical synthesis techniques along with perspective characteristics of these TiO2- and/or graphene-based materials. The enhancement of the photocatalytic activity by using GFN-TiO2 and its improved photocatalytic reactions for the treatment of organic, inorganic, and biological pollutants in water and air phases are reported. It is expected that this review can provide insights into the key to optimizing the photocatalytic activity of GFN-TiO2 and possible directions for future development in these fields.
Synthesis, Characterisation, Photocatalytic Activity, and Aquatic Toxicity Evaluation of TiO2 Nanoparticles
Authors: Andronic Luminita , Vladescu Alina , Enesca Alexandru
Published: December 2021

Imidacloprid (IMD) is a toxic pesticide, and is one of the eight most widely used pesticides globally. Heterogeneous photocatalysis has often been investigated in recent years and can be successfully applied to remove imidacloprid from water. However, less investigated is the toxic effect of both the photocatalyst and the pesticide on aquatic life. Titanium dioxide (TiO2) remains the most effective photocatalyst, provided it is not toxic to the aquatic environment. This study investigated the TiO2 synthesis, characterisation, and photocatalytic activity on imidacloprid degradation and the toxicity of TiO2 nanoparticles and imidacloprid on the green algae Chlorella vulgaris. In the photodegradation process of IMD (initial concentration of 20 mg/L), electrons play an essential role; the degradation efficiency of IMD after 6 h increased from 69 to 90% under UV irradiation when holes (h+) scavengers were added, which allowed the electrons to react with the pollutant, resulting in lowering the recombination rate of electron-hole charge carriers. Growth inhibition of Chlorella vulgaris and effective concentration (EC50) were determined to study the toxic effect of TiO2 nanoparticles and imidacloprid. The EC50 increased from 289.338 mg/L in the first 24 h to 1126.75 mg/L after 96 h Chlorella vulgaris algal age, when the toxicant was TiO2. When IMD was the aquatic toxicant, a decrease in EC50 was observed from 22.8 mg/L (24 h) to 0.00777 mg/L (120 h), suggesting a long-term high toxicity level when pesticides in low concentrations are present in an aquatic environment.
NanoTraPPED—A New Method for Determining the Surface Energy of Nanoparticles via Pickering Emulsion Polymerization
Authors: Honciuc Andrei , Negru Oana-Iuliana
Published: December 2021

Surface energy with its polar and disperse components describes the physicochemical state of nanoparticles’ (NPs) surfaces, and can be a valuable parameter for predicting their bulk behavior in powders. Here, we introduce a new method, namely, Nanoparticles Trapped on Polymerized Pickering Emulsion Droplets (NanoTraPPED), for measuring the surface energy of a series of silica NPs bearing various surface functional groups. The method consists in creating Pickering emulsions from vinyl bearing monomers, immiscible with water, whereas NPs of interest have a stabilizing role, and in the process, become trapped at the monomer/water interface of emulsion droplets. The Pickering emulsion is polymerized, and polymer microspheres (colloidosomes) decorated with NPs are obtained. NanoTraPPED relies on measuring contact angles from the immersion depth of nanoparticles at the interface of various polymer colloidosomes with the electron microscope. The contact angle values are used as input for the Owens-Wendt-Rabel-Kaelble (OWRK) model, to quantitatively determine the total surface energy with water γNP/water, air γNP, and the corresponding polar and dispersive interaction components of NPs carrying -NH2, -SH, -OH, -CN and -C8 surface functional groups, ranking these according to their polarity. Our findings were confirmed independently by calculating the interfacial desorption energies of NPs from contact angles.
Development and Characterization of pH-Dependent Cellulose Acetate Phthalate Nanofibers by Electrospinning Technique
Authors: Vidal-Romero Gustavo , Rocha-Pérez Virginia , Zambrano-Zaragoza María L. , Del Real Alicia , Martínez-Acevedo Lizbeth , Galindo-Pérez Moisés J. , Quintanar-Guerrero David
Published: December 2021

The aim of this work was to obtain pH-dependent nanofibers with an electrospinning technique as a novel controlled release system for the treatment of periodontal disease (PD). Cellulose acetate phthalate (CAP) was selected as a pH-sensitive and antimicrobial polymer. The NF was optimized according to polymeric dispersion variables, polymer, and drug concentration, and characterized considering morphology, diameter, entrapment efficiency (EE), process efficiency (PE), thermal properties, and release profiles. Two solvent mixtures were tested, and CHX-CAP-NF prepared with acetone/ethanol at 12% w/v of the polymer showed a diameter size of 934 nm, a uniform morphology with 42% of EE, and 55% of PE. Meanwhile, CHX-CAP-NF prepared with acetone/methanol at 11% w/v of polymer had a diameter of 257 nm, discontinuous nanofiber morphology with 32% of EE, and 40% of PE. EE and PE were dependent on the polymer concentration and the drug used in the formulation. Studies of differential scanning calorimetry (DSC) showed that the drug was dispersed in the NF matrix. The release profiles of CHX from CHX-CAP-NF followed Fickian diffusion dependent on time (t0.43−0.45), suggesting a diffusion–erosion process and a matrix behavior. The NF developed could be employed as a novel drug delivery system in PD.
Kinetics of Silver Accumulation in Tissues of Laboratory Mice after Long-Term Oral Administration of Silver Nanoparticles
Authors: Antsiferova Anna A. , Kopaeva Marina Yu. , Kochkin Vyacheslav N. , Kashkarov Pavel K.
Published: December 2021

Since ancient times, silver has been known for its pronounced bactericidal, antiviral and fungicidal properties. Currently, nanoparticles of this metal are widely used in the food, light and pharmaceutical industries, as well as in medicine. Silver in any form can have a toxic effect not only on pathogens, but also on healthy cells. The biological activity and bioavailability of silver preparations depend on the degree of their solubility in water. In addition, the maximum permissible concentration of soluble forms of silver is an order of magnitude lower than that of insoluble forms. This makes nanoparticles of silver with a hydrophilic coating that form stable colloidal solutions in aqueous media potentially unsafe objects. In this work, we studied the kinetics of the accumulation of silver nanoparticles with an average size of 34 ± 5 nm stabilized with polyvinylpyrrolidone in the organs of laboratory C57Bl/6 mice. The administration of nanoparticles was carried out orally for 30, 60, 120 and 180 days at the dose of 50 µg/day/animal. All the mice developed and gained weight normally during the experiment. No adverse effects were observed. Determination of the silver content in biological tissues of mammals was accomplished by neutron activation analysis. The masses and concentrations of silver in the brain and its different sections (hippocampus, cerebellum, cortex and remnants), as well as in the lungs, testes, liver, blood, kidneys, spleen and heart, were determined. The injection times at which the accumulation curves reached saturation were established. An extremely high accumulation of silver in the testes was shown at 120 days of administration, and a significant accumulation of silver in the lungs and brain was observed. The accumulation of silver in all parts of the brain except the cortex was significant, and its trend was similar to that in the whole brain.
A Pragmatic Perspective of the Antibacterial Properties of Metal-Based Nanoparticles
Authors: Sacher Edward , Yelon Arthur
Published: December 2021

A consideration of the antibacterial efficacy of metal-based nanoparticles, from the point of view of their physicochemical properties, suggests that such efficacy arises from the protein coronas that form around them, and that the contents of the coronas depend on the chemical groups found on the nanoparticle surfaces. We offer a new perspective and new insights, making use of our earlier observations of the physicochemical properties of nanoparticle surfaces, to propose that the nanoparticle serves as a mediator for the formation and activation of the protein corona, which attacks the bacterium. That is, the nanoparticle enhances the body’s natural defenses, using proteins present in body fluids.
Electrical, Piezoresistive and Electromagnetic Properties of Graphene Reinforced Cement Composites: A Review
Authors: Mu Shengchang , Yue Jianguang , Wang Yu , Feng Chuang
Published: December 2021

Due to their excellent combination of mechanical and physical properties, graphene and its derivatives as reinforcements have been drawing tremendous attention to the development of high-performance and multifunctional cement-based composites. This paper is mainly focused on reviewing existing studies on the three material properties (electrical, piezoresistive and electromagnetic) correlated to the multifunction of graphene reinforced cement composite materials (GRCCMs). Graphene fillers have demonstrated better reinforcing effects on the three material properties involved when compared to the other fillers, such as carbon fiber (CF), carbon nanotube (CNT) and glass fiber (GF). This can be attributed to the large specific surface area of graphene fillers, leading to improved hydration process, microstructures and interactions between the fillers and the cement matrix in the composites. Therefore, studies on using some widely adopted methods/techniques to characterize and investigate the hydration and microstructures of GRCCMs are reviewed and discussed. Since the types of graphene fillers and cement matrices and the preparation methods affect the filler dispersion and material properties, studies on these aspects are also briefly summarized and discussed. Based on the review, some challenges and research gaps for future research are identified. This review is envisaged to provide a comprehensive literature review and more insightful perspectives for research on developing multifunctional GRCCMs.
In Vitro Toxicity of Industrially Relevant Engineered Nanoparticles in Human Alveolar Epithelial Cells: Air–Liquid Interface versus Submerged Cultures
Authors: Bessa Maria João , Brandão Fátima , Fokkens Paul H. B. , Leseman Daan L. A. C. , Boere A. John F. , Cassee Flemming R. , Salmatonidis Apostolos , Viana Mar , Vulpoi Adriana , Simon Simion , Monfort Eliseo , Teixeira João Paulo , Fraga Sónia
Published: December 2021

Diverse industries have already incorporated within their production processes engineered nanoparticles (ENP), increasing the potential risk of worker inhalation exposure. In vitro models have been widely used to investigate ENP toxicity. Air–liquid interface (ALI) cell cultures have been emerging as a valuable alternative to submerged cultures as they are more representative of the inhalation exposure to airborne nano-sized particles. We compared the in vitro toxicity of four ENP used as raw materials in the advanced ceramics sector in human alveolar epithelial-like cells cultured under submerged or ALI conditions. Submerged cultures were exposed to ENP liquid suspensions or to aerosolised ENP at ALI. Toxicity was assessed by determining LDH release, WST-1 metabolisation and DNA damage. Overall, cells were more sensitive to ENP cytotoxic effects when cultured and exposed under ALI. No significant cytotoxicity was observed after 24 h exposure to ENP liquid suspensions, although aerosolised ENP clearly affected cell viability and LDH release. In general, all ENP increased primary DNA damage regardless of the exposure mode, where an increase in DNA strand-breaks was only detected under submerged conditions. Our data show that at relevant occupational concentrations, the selected ENP exert mild toxicity to alveolar epithelial cells and exposure at ALI might be the most suitable choice when assessing ENP toxicity in respiratory models under realistic exposure conditions.