bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Interpass Temperature on Wire Arc Additive Manufacturing Using High-Strength Metal-Cored Wire
Authors: Zhai Wengang , Wu Naien , Zhou Wei
Published: January 2022

Wire arc additive manufacturing (WAAM) is suitable to fabricate large components because of its high deposition rate. In this study, a metal-cored low-alloy high-strength welding filler metal was used as feedstock. Single wall structures were prepared using the WAAM process with different interpass temperatures (150 °C, 350 °C, and 600 °C). No obvious microstructure change was observed when the alloy was deposited with the interpass temperatures of 150 °C and 350 °C. Electron backscattered diffraction analysis shows that that no significant texture is developed in the samples. The yield strength tends to decrease with the increase in interpass temperature; however, the influence is insignificant. The highest ultimate tensile strength is found at the interpass temperature of 350 °C. A higher interpass temperature can lead to a higher deposition rate because of the shorter waiting time for the cooling of the earlier deposited layer. It was found that the upper limit interpass temperature for WAAM of the low-alloy high-strength steel is 350 °C. When a higher interpass temperature of 600 °C was used, collapse of the deposited materials was observed.
Modeling of the Effect of Secondary Orientation on the Micro Deformation Behavior of Ni-Based Single Crystal Superalloys
Authors: Wei Wencong , Song Jinxia , Zhang Jiawei , Nie Shijin , Li Lin , Xiao Chengbo , Liu Furong
Published: January 2022

In this paper, a supercell modeling of secondary orientation was established using 90 cubic mosaic units made up of γ’ phase embedded in γ matrix, in accordance with an actual structure of Ni-based single crystal superalloys (NSCS). The effects of secondary orientation on the deformation behavior and microstructure evolution of NSCS under uniaxial tensile were studied by a three-dimensional molecular dynamics (MD) simulation. Simulation results showed that secondary orientation had a significant effect on mechanical properties of NSCS, that is, a big fluctuation was found in tensile strength which dropped down almost 50% from a peak (corresponding to the secondary orientations of 18° and 45°) to a trough (those of 34° and 63°). Mechanisms of secondary orientation affecting the deformation behavior were further discussed systematically. The deformation of NSCS under uniaxial tensile was a process tending towards amorphization of microstructure, together with the dislocation formation, merging and break-up. On a micro viewpoint, this work for us will be useful to apprehend the tensile deformation conduct of NSCS.
Structural and Tribological Studies of “(TiC + WC)/Hardened Steel” PMMC Coating Deposited by Air Pulsed Plasma
Authors: Chabak Yuliia , Efremenko Vasily , Zurnadzhy Vadym , Puchý Viktor , Petryshynets Ivan , Efremenko Bohdan , Fedun Victor , Shimizu Kazumichi , Bogomol Iurii , Kulyk Volodymyr , Jakubéczyová Dagmar
Published: January 2022

The deposition of a thin (several tens of microns) protective coating in atmospheric conditions is a challenging task for surface engineering. The structural features and tribological properties of a particle-reinforced metal matrix composite coating synthesized on middle-carbon steel by air pulse-plasma treatments were studied in the present work. The 24–31 µm thick coating of “24 vol.% (TiC + WC)/Hardened steel matrix” was produced by 10 plasma pulses generated by an electro-thermal axial plasma accelerator equipped with a consumable cathode of novel design (low-carbon steel tube filled with “TiC/WC + Epoxy resin” mixture). The study included optical microscopy (OM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD, microhardness measurements, and dry “Ball-on-Plate” testing. The carbides were directly plasma-transferred to the substrate (steel of AISI 4145H grade) from the cathode without substantial melting. The hard (500–1044 HV) coating matrix consisted of 57 vol.% austenite (1.43 wt.% C) and 43 vol.% plate martensite was formed via carbon enrichment of steel from plasma flow. Additionally, a minor amount of oxide phases (TiO2, WO2, WO3) were dispersed in the matrix. As compared to substrate, the coating had a lower coefficient of friction; its volumetric wear was decreased by 4.4 times when sliding against hardened steel ball and by 16 times when sliding against SiC ball.
AZ31 Sheet Forming by Clustering Ball Spinning-Analysis of Damage Evolution Using a Modified GTN Model
Authors: Hu Zhiqing , Da Lijia , Xi Jia , Li Xinchen
Published: January 2022

Clustering ball spinning (CBS) forming is a novel approach to manufacturing a complex curved surface. In order to explore the forming limit of magnesium alloy in the CBS forming process, the modified GTN model was incorporated into the FE simulation to analyze the damage evolution. The theoretical analyses are conducted to investigate the deformation mechanism and to explore the stress state in the CBS forming process. The numerical results show that the modified GTN model can predict the result more accurately compared with the standard GTN model, and the damage parameters for GTN model are determined by the experiments. Besides, the forming limit of AZ31 magnesium alloy can be improved by CBS forming method. To explore the reason for the increased forming limit, the microstructure of curved surface was tested by electron backscattered scattering detection (EBSD). The results demonstrate that the deformation of magnesium alloy plate by the CBS method is dominated initially by the extension twinning, and non-basal slip systems are activated with the development of forming process.
A Study on the Wet Process Conditions That Affect the Selective Recovery of Si from Photovoltaic Cells by Using the Cavitation Effect
Authors: Wang Jei-Pil , Lee Dong-Hun , Go Min-Seok , So Eun-Kyu
Published: January 2022

In this research, a study to selectively recover Si from end-of-life photovoltaic cells by using acid solutions (HNO3 and HCl) and the cavitation effect of an ultrasonic cleaner was carried out. To selectively recover Si from an end-of-life photovoltaic cell, after a leaching process was conducted by using an acid solution, the photovoltaic cell that had completed the reaction was cleaned with distilled water and dried in a drying oven (100 °C) for 24 h. The experiment was conducted with acid solution concentration, reaction temperature, reaction time, and ultrasonic intensity as variables. In the results of the experiment, the optimal process was determined to be a concentration of 3M, a reaction temperature of 60 °C, a reaction time of 90 min, and an ultrasonic intensity of 150 W when using the HNO3 solution and a concentration of 3M, a reaction temperature of 60 °C, a reaction time of 120 min, and an ultrasonic intensity of 150 W when using the HCl solution. At this time, Si purity was 99.78% for HNO3 and 99.85% for HCl and the Si recovery rate was 98.9% for HNO3 and 99.24% for HCl.
Predicting High Temperature Flow Stress of Nickel Alloy A230 Based on an Artificial Neural Network
Authors: Moon In Yong , Jeong Hi Won , Lee Ho Won , Kim Se-Jong , Oh Young-Seok , Jung Jaimyun , Oh Sehyeok , Kang Seong-Hoon
Published: January 2022

The high-temperature deformation behavior of metals and alloys undergoes complex mechanisms depending on the deformation conditions. The microstructure and mechanical properties after deformation are important factors that determine the strength and durability of the final product. Therefore, many studies to predict the microstructure and mechanical properties have been conducted. In this regard, numerous mathematical approaches for predicting microstructure and flow stress have been proposed over the past half century. Accordingly, many advances have been made in the field of material science. Nevertheless, there are limitations in the mathematical modeling method as there is a complex relationship between the deformation conditions and the mechanical properties. Therefore, in this study, flow stress prediction was performed by applying conventional constitutive equation and artificial intelligence technology, which is known to be effective in modeling complex relationships. As a result, it was confirmed that the flow stresses modeled by the artificial neural network showed a higher accuracy than the flow stresses modeled by the conventional Arrhenius hyperbolic sine equation.
Numerical Analysis of Electron Beam Welding Deformation for the Vacuum Vessel Lower Port Stub of 316L Stainless Steel
Authors: Ji Haibiao , Tao Jia , Wu Jiefeng , Liu Zhihong , Ma Jianguo , Xia Xiaowei , Lin Xiaodong , Gao Xiang
Published: January 2022

The China Fusion Engineering Test Reactor vacuum vessel has strict tolerances requirements and a large number of fully penetrated joints in the manufacturing and assembly processes. As the most complicated component of vacuum vessel, port stubs have stricter tolerance requirements, to guarantee the high assembly accuracy with the vacuum vessel. Due to the small deformation of electron beam welding, this method is adopted for the welding of port stub. However, welding deformation cannot be avoided, thus it is necessary to carry out finite element analysis to analyze and control the welding deformation of the port stub. In this paper, based on thermo-elastic–plastic theory, the double ellipsoid and cone-shaped hybrid heat source can accurately outline the electron beam weld pool contour of the 316L stainless steel with 50 mm thickness, which is further verified by the welding process experiment. The above hybrid heat source is applied to analyze the welding deformation of the lower port stub, and according to the deformation simulation results, the welding fixture is designed to reduce the welding deformation. The welding deformation analysis can effectively provide theoretical data support and practical guidance for the actual electron beam welding process of port stub.
The Deformation Characteristics and Effect of Processing Parameters on the Microstructure of 7075 Al Shell Part Manufactured by Rotating Backward Extrusion
Authors: Guo Ning , Li Shuchang , Yan Fafa , Wang Zhen , Xue Kemin , Wang Rou , Xing Wenfang
Published: January 2022

Rotating backward extrusion (RBE) is known as a new severe plastic deformation technology that effectively combines the features of conventional backward extrusion (CBE) and torsion deformation. In this study, 7075 Al alloy shell parts were successfully prepared by CBE and RBE with a different number of revolutions (N = 5, 10, 15, 25, 50) at 410 °C. The effects of the RBE process on the grain refinement, precipitates and properties of extruded parts were revealed, and the deformation characteristics were compared with CBE. The results showed that the RBE process could greatly eliminate the dead deformation zone at the bottom of the CBE section and significantly improved the comprehensive strain level of the material due to the addition of severe torsional deformation via an open punch. The grain refinement feature of RBE parts showed a gradient distribution that continuously weakened from the inner wall to the outer wall with decreasing compressive and torsional stress. Increasing the number of revolutions significantly promoted the level of grain refinement, the grain refinement range, and effectively broke down and refined the coarse insoluble Fe-rich phases of the extruded parts. It was revealed that the finest grain size of approximately 1.3 μm could be obtained in the inner wall region when N was increased to 25, which was linked to the comprehensive effects of continuous dynamic recrystallization and geometric dynamic recrystallization. RBE greatly promoted an improvement in properties of the extruded parts. After T6 treatment, the microhardness of the fine-grained region of the RBE (25 N) part increased to ~192–197 HV, compared with ~180 HV in the initial T6-extruded state.
Untargeted Metabolomics Coupled with Chemometrics for Leaves and Stem Barks of Dioecious Morus alba L.
Authors: Wu Cui , Wang Huijun , Liu Zhenying , Xu Bo , Li Zhuojun , Song Pingping , Chao Zhimao
Published: January 2022

The differences in metabolites in male and female individuals of dioecious Morus alba L. (Moraceae) are usually ignored and lack study. In the present study, 58 leaves and 61 stem barks from male and female individuals were analyzed by untargeted metabolomics via headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) coupled with chemometrics, including principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA). A total of 66 and 44 metabolites were identified from leaves and stem barks, respectively. Four and eight differential metabolites among candidate metabolites in leaves and stem barks from male and female individuals were identified. Moreover, females possessed stronger antioxidant activity than males. This is the first report where untargeted metabolomics coupled with chemometrics was used to analyze the different metabolites and to discriminate the gender of leaves and stem barks of dioecious M. alba. It provided the basis for further study of M. alba and reference value for researching dioecious plants.
Effect of Physical Exercise and Genetic Background on Glucose Homeostasis and Liver/Muscle Proteomes in Mice
Authors: Fernandes Mileni S. , Sabino-Arias Isabela T. , Dionizio Aline , Fabricio Mayara F. , Trevizol Juliana S. , Martini Tatiana , Azevedo Liane B. , Valentine Ruth A. , Maguire Anne , Zohoori Fatemeh V. , L. Amaral Sandra , Buzalaf Marília A. R.
Published: January 2022

We compared the parameters related to glucose homeostasis, and liver and muscle proteomes in fluorosis-susceptible (A/J; S) and fluorosis-resistant (129P3/J; R) mice in response to fluoride (F) exposure and exercise. Ninety male mice (45 R-mice and 45 S-mice) were randomized into three groups: (SI; RI) No-F, No-Exercise, (SII; RII) 50 ppm F, No-Exercise, (SIII; RIII) 50 ppm F, Exercise. Overall, mean F concentrations in the plasma and femur were significantly higher in R-mice compared with S-mice. In R-mice, exercise resulted in an increase in F accumulation in the femur. In S-mice, the mean plasma glucose level was significantly higher in Group II compared with Groups I and III. There was an increase in liver proteins involved in energy flux and antioxidant enzymes in non-exercise groups (I, II) of S-mice in comparison with the corresponding groups of R-mice. The results also showed a decrease in muscle protein expression in Group I S-mice compared with their R-mice counterparts. In conclusion, the findings suggest an increased state of oxidative stress in fluorosis-susceptible mice that might be exacerbated by the treatment with F. In addition, fluorosis-susceptible mice have plasma glucose levels higher than fluorosis-resistant mice on exposure to F, and this is not affected by exercise.
Dynamic Changes in the Bacterial Community and Metabolic Profile during Fermentation of Low-Salt Shrimp Paste (Terasi)
Authors: Helmi Henny , Astuti Dea Indriani , Putri Sastia Prama , Sato Arisa , Laviña Walter A. , Fukusaki Eiichiro , Aditiawati Pingkan
Published: January 2022

Low-salt shrimp paste, or terasi, is an Indonesian fermented food made from planktonic shrimp mixed with a low concentration of salt. Since high daily intake of sodium is deemed unhealthy, reduction of salt content in shrimp paste production is desired. Until now, there is no reported investigation on the bacterial population and metabolite composition of terasi during fermentation. In this study, the bacterial community of terasi was assessed using high-throughput sequencing of the 16S rRNA V3–V4 region. From this analysis, Tetragenococcus, Aloicoccus, Alkalibacillus, Atopostipes, and Alkalibacterium were found to be the dominant bacterial genus in low-salt shrimp paste. GC/MS-based metabolite profiling was also conducted to monitor the metabolite changes during shrimp paste fermentation. Results showed that acetylated amino acids increased, while glutamine levels decreased, during the fermentation of low-salt shrimp paste. At the start of shrimp paste fermentation, Tetragenococcus predominated with histamine and cadaverine accumulation. At the end of fermentation, there was an increase in 4-hydroxyphenyl acetic acid and indole-3-acetic acid levels, as well as the predominance of Atopostipes. Moreover, we found that aspartic acid increased during fermentation. Based on our findings, we recommend that fermentation of low-salt shrimp paste be done for 7 to 21 days, in order to produce shrimp paste that has high nutritional content and reduced health risk.
Design and Optimization of a Novel MEMS Tuning Fork Gyroscope Microstructure
Authors: Xiong Chuanguo , Zeng Pengjun , Lv Weishan , Lu Fengming , Zhang Ming , Huang Yuhua , Zhu Fulong
Published: January 2022

This paper presents the design and optimization of a novel MEMS tuning fork gyroscope microstructure. In order to improve the mechanical sensitivity of the gyroscope, much research has been carried out in areas such as mode matching, improving the quality factor, etc. This paper focuses on the analysis of mode shape, and effectively optimizes the decoupling structure and size of the gyroscope. In terms of structural design, the vibration performance of the proposed structure was compared with other typical structures. It was found that slotting in the middle of the base improved the transmission efficiency of Coriolis vibration, and opening arc slots between the tines reduced the working modal order and frequency. In terms of size optimization, the Taguchi method was used to optimize the relevant feature sizes of the gyroscope. Compared with the initial structure, the transmission efficiency of Coriolis vibration of the optimized gyroscope was improved by about 18%, and the working modal frequency was reduced by about 2.7 kHz. Improvement of these two indicators will further improve the mechanical sensitivity of the gyroscope.
Deposition of Very-Low-Hydrogen-Containing Silicon at a Low Temperature Using Very-High-Frequency (162 MHz) SiH4 Plasma
Authors: Kim Ki Seok , Ji You-Jin , Kim Ki-Hyun , Kang Ji-Eun , Ellingboe Albert Rogers , Yeom Geun Young
Published: January 2022

Low-hydrogen-containing amorphous silicon (a-Si) was deposited at a low temperature of 80 °C using a very high frequency (VHF at 162 MHz) plasma system with multi-split electrodes. Using the 162 MHz VHF plasma system, a high deposition rate of a-Si with a relatively high deposition uniformity of 6.7% could be obtained due to the formation of high-ion-density (>1011 cm−3) plasma with SiH4 and a lack of standing waves by using small multi-split electrodes. The increase in the radio frequency (RF) power decreased the hydrogen content in the deposited silicon film and, at a high RF power of 2000 W, a-Si with a low hydrogen content of 3.78% could be deposited without the need for a dehydrogenation process. The crystallization of the a-Si by ultraviolet (UV) irradiation showed that the a-Si can be crystallized with a crystallinity of 0.8 and a UV energy of 80 J without dehydrogenation. High-resolution transmission electron microscopy showed that the a-Si deposited by the VHF plasma was a very small nanocrystalline-like a-Si and the crystalline size significantly grew with the UV irradiation. We believe that the VHF (162 MHz) multi-split plasma system can be used for a low-cost low-temperature polysilicon (LTPS) process.
In Situ Agarose Microfabrication Technology Using Joule Heating of Micro Ionic Current for On-Chip Cell Network Analysis
Authors: Shimoda Kenji , Watanabe Haruki , Hondo Yoshitsune , Sentoku Mitsuru , Sakamoto Kazufumi , Yasuda Kenji
Published: January 2022

Agarose microfabrication technology is one of the micropatterning techniques of cells having advantages of simple and flexible real-time fabrication of three-dimensional confinement microstructures even during cell cultivation. However, the conventional photothermal etching procedure of focused infrared laser on thin agarose layer has several limitations, such as the undesired sudden change of etched width caused by the local change of absorbance of the bottom surface of cultivation plate, especially on the indium-tin-oxide (ITO) wiring on the multi-electrode array (MEA) cultivation chip. To overcome these limitations, we have developed a new agarose etching method exploiting the Joule heating of focused micro ionic current at the tip of the micrometer-sized capillary tube. When 75 V, 1 kHz AC voltage was applied to the tapered microcapillary tube, in which 1 M sodium ion buffer was filled, the formed micro ionic current at the open end of the microcapillary tube melted the thin agarose layer and formed stable 5 μm width microstructures regardless the ITO wiring, and the width was controlled by the change of applied voltage squared. We also found the importance of the higher frequency of applied AC voltage to form the stable microstructures and also minimize the fluctuation of melted width. The results indicate that the focused micro ionic current can create stable local spot heating in the medium buffer as the Joule heating of local ionic current and can perform the same quality of microfabrication as the focused infrared laser absorption procedure with a simple set-up of the system and several advantages.
Design of FPGA-Based SHE and SPWM Digital Switching Controllers for 21-Level Cascaded H-Bridge Multilevel Inverter Model
Authors: Noorsal Emilia , Rongi Asyraf , Ibrahim Intan Rahayu , Darus Rosheila , Kho Daniel , Setumin Samsul
Published: January 2022

Multilevel inverters are a type of power electronic circuit that converts direct current (DC) to alternating current (AC) for use in high-voltage and high-power applications. Many recent studies on multilevel inverters have used field-programmable gate arrays (FPGAs) as a switching controller device to overcome the limitations of microcontrollers or DSPs, such as limited sampling rate, low execution speed, and a limited number of IO pins. However, the design techniques of most existing FPGA-based switching controllers require large amounts of memory (RAM) for storage of sampled data points as well as complex controller architectures to generate the output gating pulses. Therefore, in this paper, we propose two types of FPGA-based digital switching controllers, namely selective harmonic elimination (SHE) and sinusoidal pulse width modulation (SPWM), for a 21-level multilevel inverter. Both switching controllers were designed with minimal hardware complexity and logic utilisation. The designed SHE switching controller mainly consists of a four-bit finite state machine (FSM) and a 13-bit counter, while the SPWM switching controller employs a simple iterative CORDIC algorithm with a small amount of data storage requirement, a six-bit up-down counter, and a few adders. Initially, both digital switching controllers (SHE and SPWM) were designed using the hardware description language (HDL) in Verilog codes and functionally verified using the developed testbenches. The designed digital switching controllers were then synthesised and downloaded to the Intel FPGA (DE2-115) board for real-time verification purposes. For system-level verification, both switching controllers were tested on five cascaded H-Bridge circuits for a 21-level multilevel inverter model using the HDL co-simulation method in MATLAB Simulink. From the synthesised logic gates, it was found that the designed SHE and SPWM switching controllers require only 186 and 369 logic elements (LEs), respectively, which is less than 1% of the total LEs in an FPGA (Cyclone IV E) chip. The execution speed of the SHE switching controller implemented in the FPGA (Cyclone IV E) chip was found to be a maximum of 99.97% faster when compared with the microcontroller (PIC16F877A). The THD percentage of the 21-level SHE digital switching controller (3.91%) was found to be 37% less than that of the SPWM digital switching controller (6.17%). In conclusion, the proposed simplified design architectures of SHE and SPWM digital switching controllers have been proven to not only require minimal logic resources, achieve high processing speeds, and function correctly when tested on a real-time FPGA board, but also generate the desired 21-level stepped sine-wave output voltage (±360 VPP) at a frequency of 50 Hz with low THD percentages when tested on a 21-level cascaded H-Bridge multilevel inverter model.
A Narrow Straight Microchannel Array for Analysis of Transiting Speed of Floating Cancer Cells
Authors: Ren Jifeng , Liu Yi , Huang Wei , Lam Raymond H. W.
Published: January 2022

Investigating floating cells along a narrow microchannel (e.g., a blood vessel) for their transiting speeds and the corresponding roles of cell physical properties can deepen our understanding of circulating tumor cells (CTCs) metastasis via blood vessels. Many existing studies focus on the cell transiting process in blood vessel-like microchannels; further analytical studies are desired to summarize behaviors of the floating cell movement under different conditions. In this work, we perform a theoretical analysis to establish a relation between the transiting speed and key cell physical properties. We also conduct computational fluid dynamics simulation and microfluidic experiments to verify the theoretical model. This work reveals key cell physical properties and the channel configurations determining the transiting speed. The reported model can be applied to other works with various dimensions of microchannels as a more general way to evaluate the cancer cell metastasis ability with microfluidics.
Investigations of Deformation Behavior and Microstructure of Al Tailored Ti–Mo High Temperature Shape Memory Alloys during Isothermal Holding at 393 K
Authors: Nohira Naoki , Oshita Yoshiaki , Chiu Wan-Ting , Umise Akira , Tahara Masaki , Hosoda Hideki
Published: January 2022

To utilize β-Ti based high temperature (HT) shape memory alloys (SMAs), a high Al concentration of 14 mol% was designed for sufficient suppressing the undesired ω-phase. HTSMA exhibits shape memory effect (SME) above 373 K, and thus the operating temperature is over 373 K. However, the SME and the mechanical properties of most β-Ti SMAs deteriorate after holding at elevated temperatures due to the ω-embrittlement. The Ti-4.5Mo-14Al alloy (mol%) and the Ti-6Mo-7Al alloy as a comparison, both of which possess the identical reverse martensitic transformation start temperature of 407 K, were isothermally held at 393 K for up to 360 ks, and deformation behaviors and microstructures were investigated. It was found that after the isothermal holding, the deformation behavior of the Ti-6Mo-7Al alloy altered significantly; on the other hand, that of the Ti-4.5Mo-14Al alloy remained almost intact. Transmission electron microscopy observations revealed that the isothermal ω-phase (ωiso) was successfully suppressed in the Ti-4.5Mo-14Al alloy, while the ωiso phase grew in Ti-6Mo-7Al alloy. Moreover, the isothermal α″-phase coexisted in the Ti-4.5Mo-14Al alloy. It is concluded that a high Al concentration is a crucial prerequisite in the practical β-Ti HTSMAs. The presented design could be a useful guideline for developing Ti SMAs with comparable Mo- and Al-equivalents.
Modeling the Effect of Mineral Particles of Mixture of Sandy Soil on Its Physical–Mechanical Properties Based on the Triangular Nomogram
Authors: Zhang Shengrong , Korolev Vladimir , Zhang Ze , Melnikov Andrey , Liu Youqian , Dong Tianchun
Published: January 2022

Soil is regarded as a multi-component, multi-phase (solid, liquid and gaseous) dynamic system. The solid component, especially soil mineral particles, has a significant influence on the properties of soil, including its physical, physical–chemical and physical–mechanical properties. By studying the literature, we know that the majority of studies have explained the influence of mineral particles on the physical and physical–mechanical properties of soil bino–mixtures (sand–silt, sand–clay, coarse sand, etc.) through two-dimensional figures. Obviously, for multi-component soil, these two-dimensional figures are not sufficient and should be improved in order to show the influence of soil particles more comprehensively. Therefore, in this paper, we applied a new model—the triangular nomogram—to describe and analyze the change in the inter-friction angle of soil mixtures under different particle size distributions. Through the obtained result, we found that the triangular nomogram is an effective model that can be used to analyze and simulate the properties of soil mixtures.
Mining Exploration with UAV, Low-Cost Thermal Cameras and GIS Tools—Application to the Specific Case of the Complex Sulfides Hosted in Carbonates of Udías (Cantabria, Spain)
Authors: Pérez-Álvarez Rubén , Sedano-Cibrián Javier , de Luis-Ruiz Julio Manuel , Fernández-Maroto Gema , Pereda-García Raúl
Published: January 2022

The depletion of natural resources implies the need for a constant search for new reserves to satisfy demand. In the mining sector, Unmanned Aerial Vehicles (UAVs) have revolutionised geo-information capture and modelling to allow the use of low-cost sensors for prospecting and exploration for potentially exploitable resources. A very powerful alternative for managing the huge volume of data is the Geographic Information System (GIS), which allows storage, visualisation, analysis, processing and map creation. The research in this paper validates a new quasi-automatic identification of mining resources using GIS thermal-image analysis obtained from UAVs and low-cost sensors. It was tested in a case that differentiated limestone from dolostone with varying iron content, and different thermal behaviour from solar radiation, thereby ensuring that the thermal image recorded these differences. The objective is to discriminate differences in an image in a quasi-automatic way using GIS tools and ultimately to determine outcrops that could contain mineralisation. The comparison between the proposed method with traditional precision alternatives offered differences of only 4.57%, a very small deviation at this early stage of exploration. Hence, it can be considered very suitable.
Implications of Major and Trace Element Migration in Altered Granites for Hydrothermal Alteration and Granite-Related Uranium Mineralization in the Sanjiu Ore Field, South China
Authors: Chen Xu , Wen Chunhua , Meng Debao , Li Bin , Jiang Biguang , Qin Jinning
Published: January 2022

The recently discovered Sanjiu ore field (SJOF) is a granite-related uranium ore field located in the middle of Zhuguangshan (South China). The relationship between hydrothermal alteration of granite and uranium mineralization in the SJOF is crucial yet understudied. In this study, the major- and trace-element contents of granite samples (fresh granite, altered granite, and tectonites) with different uranium contents were analyzed by using X-ray fluorescence spectroscopy (XRF) and inductively coupled plasma–mass spectrometry (ICP–MS). The analytical results show a relative increase in Si, S, Ca, Pb, Mo, and Sb content in altered granites and tectonites, relative to fresh granites. During the mineralization stage, the increase of the aforementioned elements is related to various hydrothermal alterations (e.g., silicification, carbonation, sulfation, etc.) and newly formed minerals (e.g., microfine crystalline quartz veins; calcite agglomerates or fine veins; and metal sulfides, such as pyrite). There is a concomitant relative decrease in Na, K, Al, Fe, Mg, and other elemental contents that may be due to mineralogical alteration processes, such as biotite to chlorite, feldspar-group minerals to clay minerals, and redox of Fe-bearing minerals. The LREE/HREE ratio in altered granites decreases significantly with the increase in uranium content, suggesting that a low LREE/HREE ratio may be a prospecting indicator. The normalized trace-element patterns of mineralized granite (ore) and the relatively high U content of fresh granite imply that granitic rocks may be the primary uranium source in the SJOF. The uranium mineralization is mainly concentrated in the redox zone that occurs at a depth of 100−300 m. The redox zone is characterized by the most developed hydrothermal alterations and enrichment of trace elements, including W, Mo, Sb, Li, and the HREE.
Towards Understanding the Source of Brine Mineralization in Southeast Nigeria: Evidence from High-Resolution Airborne Magnetic and Gravity Data
Authors: Ekwok Stephen E. , Akpan Anthony E. , Achadu Ogiji-Idaga M. , Thompson Cherish E. , Eldosouky Ahmed M. , Abdelrahman Kamal , Andráš Peter
Published: January 2022

Investigation into understanding the genesis of brines in southeast Nigeria was carried out utilizing high-resolution potential field (HRPF) data. This study reveals that igneous intrusions and associated hydrothermal fluids are responsible for brine generation. The obtained result of the analytic signal revealed the locations and spatial distribution of short- and long-wavelength geologic structures associated with igneous intrusions. The low pass filtering, upward continuation, and 2D modelling procedures showed key synclinal structures which coincided well with the location of brine fields. The results showed that salt ponds are common in the neighborhood of igneous intrusions. To validate this finding, a conceptual model describing igneous-related hydrothermal circulation systems that are driven by convective cells of the hydrothermal fluid and overburden loads was generated. This model fits reasonably well into the overall stratigraphic and geologic framework of the study area.
Thermoporoelastoplastic Wellbore Breakout Modeling by Finite Element Method
Authors: Zhang Lijing , Zhang Hua , Hu Kezhen , Chen Zhuoheng , Yin Shunde
Published: January 2022

Drilling a hole into rock results in stress concentration and redistribution close to the hole. When induced stresses exceed the rock strength, wellbore breakouts will happen. Research on wellbore breakout is the fundamental of wellbore stability. A wellbore breakout is a sequence of stress concentrations, rock falling, and stress redistributions, which involve initiation, propagation, and stabilization sequences. Therefore, simulating the process of a breakout is very challenging. Thermoporoelastoplastic models for wellbore breakout analysis are rare due to the high complexity of the problem. In this paper, a fully coupled thermoporoelastoplastic finite element model is built to study the mechanism of wellbore breakouts. The process of wellbore breakouts, the influence of temperature and the comparison between thermoporoelastic and thermoporoelastoplastic models are studied in the paper. For the finite element modeling, the D-P criterion is used to determine whether rock starts to yield or not, and the maximum tensile strain criterion is used to determine whether breakouts have happened.
High-Throughput Quantitation of Cannabinoids by Liquid Chromatography Triple-Quadrupole Mass Spectrometry
Authors: Tran Jonathan , Elkins Aaron C. , Spangenberg German C. , Rochfort Simone J.
Published: January 2022

The high-throughput quantitation of cannabinoids is important for the cannabis industry. As medicinal products increase, and research into compounds that have pharmacological benefits increase, and the need to quantitate more than just the main cannabinoids becomes more important. This study aims to provide a rapid, high-throughput method for cannabinoid quantitation using a liquid chromatography triple-quadrupole mass spectrometer (LC-QQQ-MS) with an ultraviolet diode array detector (UV-DAD) for 16 cannabinoids: CBDVA, CBDV, CBDA, CBGA, CBG, CBD, THCV, THCVA, CBN, CBNA, THC, Δ8-THC, CBL, CBC, THCA-A and CBCA. Linearity, limit of detection (LOD), limit of quantitation (LOQ), accuracy, precision, recovery and matrix effect were all evaluated. The validated method was used to determine the cannabinoid concentration of four different Cannabis sativa strains and a low THC strain, all of which have different cannabinoid profiles. All cannabinoids eluted within five minutes with a total analysis time of eight minutes, including column re-equilibration. This was twice as fast as published LC-QQQ-MS methods mentioned in the literature, whilst also covering a wide range of cannabinoid compounds.
New Imatinib Derivatives with Antiproliferative Activity against A549 and K562 Cancer Cells
Authors: Oliveira Andressa , Moura Stefany , Pimentel Luiz , Neto João , Dantas Rafael , Silva-Jr Floriano , Bastos Monica , Boechat Nubia
Published: January 2022

Tyrosine kinase enzymes are among the primary molecular targets for the treatment of some human neoplasms, such as those in lung cancer and chronic myeloid leukemia. Mutations in the enzyme domain can cause resistance and new inhibitors capable of circumventing these mutations are highly desired. The objective of this work was to synthesize and evaluate the antiproliferative ability of ten new analogs that contain isatins and the phenylamino-pyrimidine pyridine (PAPP) skeleton, the main pharmacophore group of imatinib. The 1,2,3-triazole core was used as a spacer in the derivatives through a click chemistry reaction and gave good yields. All the analogs were tested against A549 and K562 cells, lung cancer and chronic myeloid leukemia (CML) cell lines, respectively. In A549 cells, the 3,3-difluorinated compound (3a), the 5-chloro-3,3-difluorinated compound (3c) and the 5-bromo-3,3-difluorinated compound (3d) showed IC50 values of 7.2, 6.4, and 7.3 μM, respectively, and were all more potent than imatinib (IC50 of 65.4 μM). In K562 cells, the 3,3-difluoro-5-methylated compound (3b) decreased cell viability to 57.5% and, at 10 µM, showed an IC50 value of 35.8 μM (imatinib, IC50 = 0.08 μM). The results suggest that 3a, 3c, and 3d can be used as prototypes for the development of more potent and selective derivatives against lung cancer.
The Chemical Property Position of Bedaquiline Construed by a Chemical Global Positioning System-Natural Product
Authors: Alajlani Muaaz Mutaz
Published: January 2022

Bedaquiline is a novel adenosine triphosphate synthase inhibitor anti-tuberculosis drug. Bedaquiline belongs to the class of diarylquinolines, which are antituberculosis drugs that are quite different mechanistically from quinolines and flouroquinolines. The fact that relatively similar chemical drugs produce different mechanisms of action is still not widely understood. To enhance discrimination in favor of bedaquiline, a new approach using eight-score principal component analysis (PCA), provided by a ChemGPS-NP model, is proposed. PCA scores were calculated based on 35 + 1 different physicochemical properties and demonstrated clear differences when compared with other quinolines. The ChemGPS-NP model provided an exceptional 100 compounds nearest to bedaquiline from antituberculosis screening sets (with a cumulative Euclidian distance of 196.83), compared with the different 2Dsimilarity provided by Tanimoto methods (extended connective fingerprints and the Molecular ACCess System, showing 30% and 182% increases in cumulative Euclidian distance, respectively). Potentially similar compounds from publicly available antituberculosis compounds and Maybridge sets, based on bedaquiline’s eight-dimensional similarity and different filtrations, were identified too.
Investigation of Nonlinear Optical Modulation Characteristics of MXene VCrC for Pulsed Lasers
Authors: Meng Yao , Liu Yizhou , Li Tao , Feng Tianli , Huang Jiacheng , Ni Zheng , Qiao Wenchao
Published: January 2022

We report the surface morphology and the nonlinear absorption characteristics of MXene VCrC nanosheets prepared by the liquid-phase exfoliation method. The self-made MXene VCrC was applied as a saturable absorber in the Tm:YAP laser experiments, performing excellent Q-switching optical modulation characteristics in infrared range. With this absorber, a stable passively Q-switched 2 μm laser was achieved. Under an incident pump power of 3.52 W, a maximum output power of 280 mW was obtained with a T = 3% output coupler at a repetition frequency of 49 kHz. The corresponding pulse energy and peak power were 5.7 μJ and 6.6 W, respectively. The shortest pulse duration was 658 ns at the repetition rate of 63 kHz with a T = 1% output coupler.
Autoxidation Products of the Methanolic Extract of the Leaves of Combretum micranthum Exert Antiviral Activity against Tomato Brown Rugose Fruit Virus (ToBRFV)
Authors: Iobbi Valeria , Lanteri Anna Paola , Minuto Andrea , Santoro Valentina , Ferrea Giuseppe , Fossa Paola , Bisio Angela
Published: January 2022

Tomato brown rugose fruit virus (ToBRFV) is a new damaging plant virus of great interest from both an economical and research point of view. ToBRFV is transmitted by contact, remains infective for months, and to-date, no resistant cultivars have been developed. Due to the relevance of this virus, new effective, sustainable, and operator-safe antiviral agents are needed. Thus, 4-hydroxybenzoic acid was identified as the main product of the alkaline autoxidation at high temperature of the methanolic extract of the leaves of C. micranthum, known for antiviral activity. The autoxidized extract and 4-hydroxybenzoic acid were assayed in in vitro experiments, in combination with a mechanical inoculation test of tomato plants. Catechinic acid, a common product of rearrangement of catechins in hot alkaline solution, was also tested. Degradation of the viral particles, evidenced by the absence of detectable ToBRFV RNA and the loss of virus infectivity, as a possible consequence of disassembly of the virus coat protein (CP), were shown. Homology modeling was then applied to prepare the protein model of ToBRFV CP, and its structure was optimized. Molecular docking simulation showed the interactions of the two compounds, with the amino acid residues responsible for CP-CP interactions. Catechinic acid showed the best binding energy value in comparison with ribavirin, an anti-tobamovirus agent.
Identification of the New Metabolite of Nebivolol Using Liquid Chromatography Coupled with High-Resolution Mass Spectrometry and Chemometrics
Authors: Trawiński Jakub , Wroński Michał , Gawlik Maciej , Skibiński Robert
Published: January 2022

In this study, the phase I hepatic metabolism pathway of a cardiovascular drug nebivolol was proposed on the basis of a human liver microsomes assay with the use of LC-HR-MS coupled with the chemometric method. Six biotransformation products were found with the assistance of chemometric analysis. Five of them were identified as the previously reported products of alicyclic hydroxylation and dihydroxylation, aromatic hydroxylation, as well as alicyclic oxidation of the parent compound. Moreover, one metabolite, not reported so far, was found to be a product of N-dealkylation of nebivolol—2-amino-1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-ol. The novel metabolite was submitted to an in silico toxicity analysis to assess its biological properties. The applied computational methods indicated a significantly elevated risk of its mutagenic activity, compared to the parent molecule. Several metabolites of the nebivolol described in the literature were not detected in this study, indicating their non-hepatic origin.
Design, Synthesis, Molecular Docking, and Evaluation Antioxidant and Antimicrobial Activities for Novel 3-Phenylimidazolidin-4-One and 2-Aminothiazol-4-One Derivatives
Authors: Shehab Wesam , Abdelaziz Maged , Elhoseni Nourhan , Assy Mohamed , Abdellattif Magda , Hamed Eman
Published: January 2022

On our way to discovering and developing compounds that have an antioxidant impact compared to ascorbic acid and other biological activities, we designed, synthesized, and evaluated a new series of heterocyclic moieties drugs (1–11) as antioxidants and antimicrobial agents. As starting moieties, these new candidates were derived from two promising heterocyclic compounds, imidazoldin-4-one and thiazol-4-one. Firstly, diphenylimidazol 1 was obtained because of the cyclo condensation one-pot ternary reaction of urea, aniline, and chloroacetic acid under thermal conditions. Out of this starting compound, we could design and create new vital rings such as purine and triazine as in compounds 5 and 6, respectively. Secondly, the start thiazole derivative 7 was obtained from the intermolecular cyclization of thiourea, chloroacetic acid, p-nitobezaldehyde in the presence of sodium acetate. We synthesized various derivatives from this second starting compound 7 by being subjected to different reagents such as aniline, phenylenediamine, phenylhydrazine, and barbituric acid to yield 8, 9, 10, and 11, respectively. Using ascorbic acid as the standard compound, the pharmacological testing for antioxidant activity assessment of the produced derivatives was evaluated against ABTS (2,20-azinobis (3-ethylbenzothiazoline-6-sulfonic acid). Candidate 6 exhibited the best activity as an antioxidant agent compared to ascorbic acid as a reference compound. Moreover, all compounds were evaluated as antimicrobial agents against a series of bacteria and fungi. Among all synthesized compounds, compound 6 achieved high efficiency against two types of fungi and four kinds of bacteria, as Clotrimazole and Ampicillin were used as the reference agents, respectively. All chemical structures of the novel synthesized candidates were unequivocally elucidated and confirmed utilizing spectroscopical and elemental investigations.
Recent Analytical Approaches for the Study of Bioavailability and Metabolism of Bioactive Phenolic Compounds
Authors: Fernández-Ochoa Álvaro , Cádiz-Gurrea María de la Luz , Fernández-Moreno Patricia , Rojas-García Alejandro , Arráez-Román David , Segura-Carretero Antonio
Published: January 2022

The study of the bioavailability of bioactive compounds is a fundamental step for the development of applications based on them, such as nutraceuticals, functional foods or cosmeceuticals. It is well-known that these compounds can undergo metabolic reactions before reaching therapeutic targets, which may also affect their bioactivity and possible applications. All recent studies that have focused on bioavailability and metabolism of phenolic and terpenoid compounds have been developed because of the advances in analytical chemistry and metabolomics approaches. The purpose of this review is to show the role of analytical chemistry and metabolomics in this field of knowledge. In this context, the different steps of the analytical chemistry workflow (design study, sample treatment, analytical techniques and data processing) applied in bioavailability and metabolism in vivo studies are detailed, as well as the most relevant results obtained from them.