bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimized Fast Filtration-Based Sampling and Extraction Enables Precise and Absolute Quantification of the Escherichia coli Central Carbon Metabolome
Authors: Thorfinnsdottir Lilja Brekke , García-Calvo Laura , Bø Gaute Hovde , Bruheim Per , Røst Lisa Marie
Published: January 2023

Precise and accurate quantification is a prerequisite for interpretation of targeted metabolomics data, but this task is challenged by the inherent instability of the analytes. The sampling, quenching, extraction, and sample purification conditions required to recover and stabilize metabolites in representative extracts have also been proven highly dependent on species-specific properties. For Escherichia coli, unspecific leakage has been demonstrated for conventional microbial metabolomics sampling protocols. We herein present a fast filtration-based sampling protocol for this widely applied model organism, focusing on pitfalls such as inefficient filtration, selective loss of biomass, matrix contamination, and membrane permeabilization and leakage. We evaluate the effect of and need for removal of extracellular components and demonstrate how residual salts can challenge analytical accuracy of hyphenated mass spectrometric analyses, even when sophisticated correction strategies are applied. Laborious extraction procedures are bypassed by direct extraction in cold acetonitrile:water:methanol (3:5:2, v/v%), ensuring compatibility with sample concentration and thus, any downstream analysis. By applying this protocol, we achieve and demonstrate high precision and low metabolite turnover, and, followingly, minimal perturbation of the inherent metabolic state. This allows us to herein report absolute intracellular concentrations in E. coli and explore its central carbon metabolome at several commonly applied cultivation conditions.
Cycloguanil and Analogues Potently Target DHFR in Cancer Cells to Elicit Anti-Cancer Activity
Authors: Brown Jennifer I. , Wang Peng , Wong Alan Y. L. , Petrova Boryana , Persaud Rosanne , Soukhtehzari Sepideh , Lopez McDonald Melanie , Hanke Danielle , Christensen Josephine , Iliev Petar , Wang Weiyuan , Everton Daniel K. , Williams Karla C. , Frank David A. , Kanarek Naama , Page Brent D. G.
Published: January 2023

Dihydrofolate reductase (DHFR) is an established anti-cancer drug target whose inhibition disrupts folate metabolism and STAT3-dependent gene expression. Cycloguanil was proposed as a DHFR inhibitor in the 1950s and is the active metabolite of clinically approved plasmodium DHFR inhibitor Proguanil. The Cycloguanil scaffold was explored to generate potential cancer therapies in the 1970s. Herein, current computational and chemical biology techniques were employed to re-investigate the anti-cancer activity of Cycloguanil and related compounds. In silico modeling was employed to identify promising Cycloguanil analogues from NCI databases, which were cross-referenced with NCI-60 Human Tumor Cell Line Screening data. Using target engagement assays, it was found that these compounds engage DHFR in cells at sub-nanomolar concentrations; however, growth impairments were not observed until higher concentrations. Folinic acid treatment rescues the viability impairments induced by some, but not all, Cycloguanil analogues, suggesting these compounds may have additional targets. Cycloguanil and its most promising analogue, NSC127159, induced similar metabolite profiles compared to established DHFR inhibitors Methotrexate and Pyrimethamine while also blocking downstream signaling, including STAT3 transcriptional activity. These data confirm that Cycloguanil and its analogues are potent inhibitors of human DHFR, and their anti-cancer activity may be worth further investigation.
3D Model-Based Large-Volume Metrology Supporting Smart Manufacturing and Digital Twin Concepts
Authors: Lindqvist Richard P. , Strand Daniel , Nilsson Mikael , Collins Victor , Torstensson Johan , Kressin Jonas , Spensieri Domenico , Archenti Andreas
Published: January 2023

New automated laser radar measurement systems at the Saab Inc. West Lafayette, USA, facility will make airframe assembly of the aft body for the new eT7-A aircraft a quicker, more cost-efficient process. Digital twin concepts realized through simulation and off-line programming show advantageous results when studying future state scenarios or investigating how a current large-volume dimensional metrology system acts and behaves. The aim of this exploration has been to examine how to facilitate the design and programming of automated laser radar concepts by means of novel simulation-based software. High-speed computing algorithms efficiently solve tasks and sequence problems related to many statistical combinatorial possibilities in calculations. However, this approach requires accurate and reliable models and digital twins that are continuously updated with real world data and information. In this paper, the main contributions are to create procedures to define the dimensional metrology workflow at Saab and to model and simulate the laser radar process, enhancing and tailoring existing offline programming software by specific new functionalities. A case study conducted at Saab Aeronautics premises in Linköping acted as a clinical laboratory to generate our research findings. The exploratory work indicates that a reliable simulation-based development method can be used advantageously in the early-stage design layout of automated dimensional metrology systems to verify and guarantee the line-of-sight of, e.g., a laser light path and its allowed inclinations to a specific geometrical feature to be measured, extracted, and evaluated.
Synthesis of TiO2 Nanobelt Bundles Decorated with TiO2 Nanoparticles and Aggregates and Their Use as Anode Materials for Lithium-Ion Batteries
Authors: Luo Wenpo , Blanchard Juliette , Tonelli Domenica , Taleb Abdelhafed
Published: January 2023

TiO2 nanobelt bundles decorated with TiO2 aggregates were prepared using an easy and scalable hydrothermal method at various temperatures (170, 190, 210, and 230 °C). It was demonstrated that the synthesis temperature is a key parameter to tune the number of aggregates on the nanobelt surface. Prepared TiO2 aggregates and nanobelt bundles were used to design anode materials in which the aggregates regulated the pore size and connectivity of the interconnected nanobelt bundle structure. A galvanostatic technique was employed for the electrochemical characterization of TiO2 samples. Using TiO2 as a model material due to its small volume change during the cycling of lithium-ion batteries (LIBs), the relationship between the morphology of the anode materials and the capacity retention of the LIBs on cycling is discussed. It was clearly found that the size and connectivity of the pores and the specific surface area had a striking impact on the Li insertion behavior, lithium storage capability, and cycling performance of the batteries. The initial irreversible capacity was shown to increase as the specific surface area increased. As the pore size increased, the ability of the mesoporous anatase to release strain was stronger, resulting in better cycling stability. The TiO2 powder prepared at a temperature of 230 °C displayed the highest discharge and charge capacities (203.3 mAh/g and 140.8 mAh/g) and good cycling stability.
Analysis of Electrochemically Active Substances in Malvaceae Leaves via Electroanalytical Sensing Technology for Species Identification
Authors: Wang Qiong , Ye Weiting , Li Dongling , Zhu Jiangwei , Liu Chenghang , Lin Chengte , Fu Li , Xu Zenglai
Published: January 2023

Electrochemical analysis has become a new method for plant analysis in recent years. It can not only collect signals of electrochemically active substances in plant tissues, but can also be used to identify plant species. At the same time, the signals of electrochemically active substances in plant tissues can also be used to investigate plant phylogeny. In this work, we collected electrochemical finger patterns in Malvaceae leaves based on the established methodological strategy. After the second derivative treatment, the collected electrochemical fingerprints can show more obvious differences. Three different recognition models were used to attempt electrochemical fingerprinting. The results show that linear support vector classification can be used to identify species with high accuracy by combining the electrochemical fingerprint signals collected in the phosphoric acid buffer solution and acetic acid buffer solution. In addition, the fingerprint information collected by the electrochemical sensor is further used for phylogenetic investigation. The 18 species were divided into three clusters. Species of the same genus have been clustered together. Dendrogram obtained by electrochemical fingerprinting was used to compare previously reported results deduced from morphological and complete chloroplast genomes.
A Single-Layer Multimode Metasurface Antenna with a CPW-Fed Aperture for UWB Communication Applications
Authors: Jiang Shu , Liu Zhiqiang , Yang Huijun , Sun Dongquan
Published: January 2023

A single-layer multimode metasurface antenna is proposed with a coplanar waveguide (CPW)-fed aperture. The ultra-wideband (UWB) performance is implemented based on a three-step evolution process with the aid of characteristic mode analysis (CMA). Considering the efficient excitation with a fixed feeding structure, the metasurface modal current variation at different frequencies is analyzed and optimized, in addition to that at the resonant frequency. Correspondingly, the metasurface is firstly designed utilizing an array of 4 × 4 patches. Then, the 1 × 3 and the 1 × 1 parasitic patch arrays are located near the edge patches. Finally, every patch is split into two by a center slot along the current distribution of the required polarization. Four resonant modes of the metasurface become more desirable step by step and can be efficiently excited over the entire band. To enhance the impedance matching level, a pair of 5-stage gradient transitions are added to the CPW-fed slot. The slot mode combined with the four modes further improves the bandwidth. The experimental results demonstrate that the proposed antenna exhibits a 3 dB gain bandwidth of over 74% (4.0–8.7 GHz) with a peak gain of 8.2 dBi. The overall dimensions of the prototype are 1.40λ0 × 1.40λ0 × 0.075λ0 (λ0 is the free-space wavelength at 6 GHz).
Ground-State Structure of Quaternary Alloys (SiC)1−x (AlN)x and (SiC)1−x (GaN)x
Authors: Menad Abdelkader , Ferhat Mohamed , Zaoui Ali
Published: January 2023

Despite III-nitride and silicon carbide being the materials of choice for a wide range of applications, theoretical studies on their quaternary alloys are limited. Here, we report a systematic computational study on the electronic structural properties of (SiC)x (AlN)1−x and (SiC)x (AlN)1−x quaternary alloys, based on state-of-the-art first-principles evolutionary algorithms. Trigonal (SiCAlN, space group P3m1) and orthorhombic (SiCGaN, space group Pmn21) crystal phases were as predicted for x = 0.5. SiCAlN showed relatively weak thermodynamic instability, while that of SiCGaN was slightly elevated, rendering them both dynamically and mechanically stable at ambient pressure. Our calculations revealed that the Pm31 crystal has high elastic constants, (C11~458 GPa and C33~447 GPa), a large bulk modulus (B0~210 GPa), and large Young’s modulus (E~364 GPa), and our results suggest that SiCAlN is potentially a hard material, with a Vickers hardness of 21 GPa. Accurate electronic structures of SiCAlN and SiCGaN were calculated using the Tran–Blaha modified Becke–Johnson semi-local exchange potential. Specifically, we found evidence that SiCGaN has a very wide direct bandgap of 3.80 eV, while that of SiCAlN was indirect at 4.6 eV. Finally, for the quaternary alloys, a relatively large optical bandgap bowing of ~3 eV was found for SiCGaN, and a strong optical bandgap bowing of 0.9 eV was found for SiCAlN.
Ultrafast Laser Patterning of Metals Commonly Used in Medical Industry: Surface Roughness Control with Energy Gradient Pulse Sequences
Authors: Leggio Luca , Di Maio Yoan , Pascale-Hamri Alina , Egaud Gregory , Reynaud Stephanie , Sedao Xxx , Mauclair Cyril
Published: January 2023

Ultrafast laser ablation is widely used as a versatile method for accurate micro-machining of polymers, glasses and metals for a variety of industrial and biomedical applications. We report on the use of a novel process parameter, the modulation of the laser pulse energy during the multi-scan texturing of surfaces. We show that this new and straightforward control method allows us to attain higher and lower roughness (Ra) values than the conventional constant pulse energy irradiation sequence. This new multi-scanning laser ablation strategy was conducted on metals that are commonly used in the biomedical industry, such as stainless steel, titanium, brass and silver samples, using a linear (increasing or decreasing) gradient of pulse energy, i.e., varying the pulse energy across successive laser scans. The effects of ablation were studied in terms of roughness, developed interfacial area ratio, skewness and ablation efficiency of the processed surfaces. Significantly, the investigation has shown a global trend for all samples that the roughness is minimum when a decreasing energy pulse sequence is employed, i.e., the irradiation sequence ends up with the applied laser fluences close to threshold laser fluences and is maximum with increasing energy distribution. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analysis on single craters with the three different energy deposition conditions revealed a chaotic and random material redistribution in the cases of uniform and increasing energy distributions and the presence of regular laser-induced periodic surface structures (LIPSS) at the bottom of the ablation region in the case of decreasing energy distribution. It is also shown that the ablation efficiency of the ablated surfaces does not significantly change between the three cases. Therefore, this novel energy control strategy permits the control of the roughness of the processed surfaces without losing the ablation efficiency.
Three-Dimensional Performance Evaluation of Hemispherical Coriolis Vibratory Gyroscopes
Authors: Mahmoudian Mehrdad , Filho Joel , Melicio Rui , Rodrigues Eduardo , Ghanbari Mojgan , Gordo Paulo
Published: January 2023

In this paper, the oscillation patterns and characteristics of gyroscopic reaction to rotation-induced Coriolis force and phase relations are reviewed by examining the main principles of operation of Coriolis vibratory gyroscopes based on the dynamic relations and proposed improvements in performance using parameter changes. Coriolis vibratory gyroscopes (CVGs) are among the most modern applicable gyroscopes in position detection that have replaced traditional gyroscopes due to some great features of the design of vibrating proof mass and elastic suspension. Given the key characteristics of capacitive versus piezoelectric excitation technologies for determining the vibration type in sensors, their operating principles and equations have completely changed. Therefore, two-dimensional finite element analysis is required to evaluate their optimal performance. Since the sensor space is constantly vibrating, a general equation is presented in this paper to explain the impact of parameters on the frequency of different operating modes. The main purposes of building vibrating gyroscopes are replacing the constant spinning of the rotor with a vibrating structure and utilizing the Coriolis effect, based on which the secondary motion of the sensitive object is generated according to the external angular velocity.
The Armor of the Chinese Sturgeon: A Study of the Microstructure and Mechanical Properties of the Ventral Bony Plates
Authors: Zheng Yu , Li Xin , Liu Ping , Chen Ying , Guo Ce
Published: January 2023

Benefiting from their unique morphological characteristics and structural properties, the ventral bony plates of the Chinese sturgeon are excellent biological protective tissue. In this work, we studied the micro- and macro-morphology and mechanical properties of the ventral bony plates of the Chinese sturgeon to elucidate the special protective mechanisms of the bony plates. Experiments involving scanning electron microscopy and energy-dispersive X-ray spectroscopy revealed that the bony plates possess a hierarchical structure and a ridge-like shape. This structure comprises a surface layer containing mineralized nanocrystals and an internal layer containing mineralized collagen fibers. From the surface layer to the internal layer, the degree of mineralization decreases gradually. Nanoindentation, tension, and compression tests demonstrated that the bony plates feature excellent mechanical properties and a high specific tensile strength comparable to that of stainless steel. Moreover, water can significantly improve the fracture toughness and deformability of the bony plates and effectively enhance the damage tolerance of the structures. The obtained results concerning the microstructure–property–function relationships of the ventral bony plates of the Chinese sturgeon may provide novel insights for designing protective structures that are both lightweight and high strength.
High-Efficiency 3D-Printed Three-Chamber Electromagnetic Peristaltic Micropump
Authors: Chen He , Miao Xiaodan , Lu Hongguang , Liu Shihai , Yang Zhuoqing
Published: January 2023

This paper describes the design and characteristics of a three-chamber electromagnetic-driven peristaltic micropump based on 3D-printing technology. The micropump is composed of an NdFeB permanent magnet, a polydimethylsiloxane (PDMS) film, a 3D-printing pump body, bolts, electromagnets and a cantilever valve. Through simulation analysis and experiments using a single chamber and three chambers, valved and valveless, as well as different starting modes, the results were optimized. Finally, it is concluded that the performance of the three-chamber valved model is optimal under synchronous starting conditions. The measurement results show that the maximum output flow and back pressure of the 5 V, 0.3 A drive source are 2407.2 μL/min and 1127 Pa, respectively. The maximum specific flow and back pressure of the micropump system are 534.9 μL/min∙W and 250.4 Pa/W, respectively.
Antifungal Activity of Spent Coffee Ground Extracts
Authors: Calheiros Daniela , Dias Maria Inês , Calhelha Ricardo C. , Barros Lillian , Ferreira Isabel C. F. R. , Fernandes Chantal , Gonçalves Teresa
Published: January 2023

Coffee is one of the most popular and consumed products in the world, generating tons of solid waste known as spent coffee grounds (SCG), containing several bioactive compounds. Here, the antifungal activity of ethanolic SCG extract from caffeinated and decaffeinated coffee capsules was evaluated against yeasts and filamentous fungi. These extracts had antifungal activity against Candida krusei, Candida parapsilosis, Trichophyton mentagrophytes, and Trichophyton rubrum, all skin fungal agents. Moreover, SCG had fungicidal activity against T. mentagrophytes and T. rubrum. To understand the underlying mechanisms of the antifungal activity, fungal cell membrane and cell wall components were quantified. SCG caused a significant reduction of the ergosterol, chitin, and β-(1,3)-glucan content of C. parapsilosis, revealing the synthesis of this membrane component and cell wall components as possible targets of these extracts. These extracts were cytotoxic for the tumoral cell lines tested but not for the non-tumoral PLP2 cell line. The analysis of the phenolic compounds of these extracts revealed the presence of caffeoylquinic acid, feruloylquinic acid, and caffeoylshikimic acid derivatives. Overall, this confirmed the antifungal activity of spent coffee grounds, presenting a potential increase in the sustainability of the life cycle of coffee grounds, as a source for the development of novel antifungal formulations, especially for skin or mucosal fungal infections.
Genetic, Antigenic, and Pathobiological Characterization of H9 and H6 Low Pathogenicity Avian Influenza Viruses Isolated in Vietnam from 2014 to 2018
Authors: Le Kien Trung , Nguyen Lam Thanh , Huynh Loc Tan , Chu Duc-Huy , Nguyen Long Van , Nguyen Tien Ngoc , Tien Tien Ngoc , Matsuno Keita , Okamatsu Masatoshi , Hiono Takahiro , Isoda Norikazu , Sakoda Yoshihiro
Published: January 2023

The H9 and H6 subtypes of low pathogenicity avian influenza viruses (LPAIVs) cause substantial economic losses in poultry worldwide, including Vietnam. Herein, we characterized Vietnamese H9 and H6 LPAIVs to facilitate the control of avian influenza. The space–time representative viruses of each subtype were selected based on active surveillance from 2014 to 2018 in Vietnam. Phylogenetic analysis using hemagglutinin genes revealed that 54 H9 and 48 H6 Vietnamese LPAIVs were classified into the sublineages Y280/BJ94 and Group II, respectively. Gene constellation analysis indicated that 6 and 19 genotypes of the H9 and H6 subtypes, respectively, belonged to the representative viruses. The Vietnamese viruses are genetically related to the previous isolates and those in neighboring countries, indicating their circulation in poultry after being introduced into Vietnam. The antigenicity of these subtypes was different from that of viruses isolated from wild birds. Antigenicity was more conserved in the H9 viruses than in the H6 viruses. Furthermore, a representative H9 LPAIV exhibited systemic replication in chickens, which was enhanced by coinfection with avian pathogenic Escherichia coli O2. Although H9 and H6 were classified as LPAIVs, their characterization indicated that their silent spread might significantly affect the poultry industry.
A Review on Zoonotic Pathogens Associated with Non-Human Primates: Understanding the Potential Threats to Humans
Authors: Jiang Xinjie , Fan Zhenyu , Li Shijia , Yin Haichang
Published: January 2023

Non-human primates (NHP) share a close relationship with humans due to a genetic homology of 75–98.5%. NHP and humans have highly similar tissue structures, immunity, physiology, and metabolism and thus often can act as hosts to the same pathogens. Agriculture, meat consumption habits, tourism development, religious beliefs, and biological research have led to more extensive and frequent contact between NHPs and humans. Deadly viruses, such as rabies virus, herpes B virus, Marburg virus, Ebola virus, human immunodeficiency virus, and monkeypox virus can be transferred from NHP to humans. Similarly, herpes simplex virus, influenza virus, and yellow fever virus can be transmitted to NHP from humans. Infectious pathogens, including viruses, bacteria, and parasites, can affect the health of both primates and humans. A vast number of NHP-carrying pathogens exhibit a risk of transmission to humans. Therefore, zoonotic infectious diseases should be evaluated in future research. This article reviews the research evidence, diagnostic methods, prevention, and treatment measures that may be useful in limiting the spread of several common viral pathogens via NHP and providing ideas for preventing zoonotic diseases with epidemic potential.
Residual Effects of Transgenic Cotton on the Intestinal Microbiota of Dysdercus concinnus
Authors: Pérez-López Javier , Alavez Valeria , Cerritos René , Andraca-Gómez Guadalupe , Fornoni Juan , Wegier Ana
Published: January 2023

The interaction among plants, insects, and microbes (PIM) is a determinant factor for the assembly and functioning of natural and anthropic ecosystems. In agroecosystems, the relationships among PIM are based on the interacting taxa, environmental conditions, and agricultural management, including genetically modified (GM) organisms. Although evidence for the unintended effects of GM plants on non-target insects is increasingly robust, our knowledge remains limited regarding their impact on gut microbes and their repercussions on the host’s ecology, especially in the wild. In this study, we compared the gut microbial community of Dysdercus concinnus bugs collected on wild cotton (Gossypium hirsutum), with and without insecticidal transgenes (cry1ab/ac), in its center of origin and diversity. By sequencing the V4–V5 region of 16S rRNA, we show differences in the diversity, structure, and topology of D. concinnus gut microbial interactions between specimens foraging cotton plants with and without transgenes. Identifying unintended residual effects of genetic engineering in natural ecosystems will provide first-line knowledge for informed decision-making to manage genetic, ecological, and evolutionary resources. Thus, determining which organisms interact with GM plants and how is the first step toward conserving natural ecosystems with evidence of transgenic introgression.
The Complex Dynamics of Microplastic Migration through Different Aquatic Environments: Subsidies for a Better Understanding of Its Environmental Dispersion
Authors: Almeida Marcelo Pompermayer de , Gaylarde Christine , Pompermayer Fabiana Cunha , Lima Leonardo da Silva , Delgado Jessica de Freitas , Scott Danniela , Neves Charles Vieira , Vieira Khauê Silva , Baptista Neto José Antônio , Fonseca Estefan Monteiro
Published: January 2023

Microplastic pollution in aquatic ecosystems has drawn attention not only because microplastics are likely to accumulate anywhere but also because they cause negative impacts both to aquatic biota and, indirectly, to public health, as a result of their presence. The understanding of the distribution and accumulation patterns of this “new contaminant” is fundamental for the calibration of environmental risk studies. However, research on its migration pattern and consequent distribution is still limited. The present study has focused on the peculiar physical characteristics of plastic microparticles and the response to environmental factors such as hydrodynamics and physical chemistry of water on the diffusion dynamics of these pollutant agents. Therefore, we examined information about the vertical abundance distribution, the composition, and the sizes of microplastics, along with the varied aquatic environments existing on Earth. This study provides valuable evidence for the accumulation trend of microplastics across the environment and the peculiar particle characteristics that dictate their distribution patterns. The present study concluded that detailed studies should be carried out in order to add information about the behavior of plastic microparticles in aquatic environments and thus subsidize the calibration of existing information, thus increasing its accuracy in understanding the diffusion patterns of these polluting agents.
CFD Modeling and Cold Physical Model Simulation on Single Molten Slag Ligament Disintegration into Droplets
Authors: Zhao Ming , Pan Yuhua , Zhao Aifu , Zhang Shili , Ma Ping , Feng Xin
Published: January 2023

Aiming at the mode of liquid ligament disintegration into droplets in the process of the centrifugal granulation of molten blast furnace slag using a spinning cup, in order to gain an in-depth understanding of the behavior and mechanism of droplet formation by liquid ligament disintegration and to obtain appropriate conditions to control the size of the produced slag granules, a three-dimensional CFD model describing water–air two-phase flow with a free surface was established in this work for simulating the process of a single water ligament breakup into droplets under the action of gravity, surface tension and inertial forces, so as to compare with the process of a molten slag ligament disintegration into droplets due to centrifugal force exerted by the spinning cup. By studying the disintegration behavior and mechanism of a single water ligament, the similar phenomenon of a molten slag ligament disintegration is examined. The numerical simulation results on the breakup of a single water ligament show that the length of the ligament before its disintegration and the diameter of the droplets formed both increase with the increase of the velocity of the ligament initially exiting a capillary nozzle. In addition, an experimental set-up was established in the laboratory to conduct cold physical model simulation experiments on single water or liquid paraffin ligament disintegration. The experimental results are compared with the numerical simulation results so that the reliability of the CFD model is verified. The results of the present study show that, in the centrifugal granulation process of blast furnace slag using a spinning cup operated in the ligament disintegration mode, the breakup of a single molten slag ligament is very similar to that of a single water or liquid paraffin ligament, and both approximately follow the Rayleigh Disintegration Mechanism, which provides a theoretical basis for analyzing the breakup process of the ligaments of different liquids as references for guiding the operation of centrifugal granulation of molten slag.
Tungsten–Gold Metallogenetic Potential of the Ziyunshan Pluton in Central Hunan, South China: Insights from Element Geochemistry of Granites
Authors: Leng Jiahao , Lu Yulong , Li Xingqiang , Zhao Xiangying , Liu Yang
Published: January 2023

In order to reveal the metallogenic potential of the Indosinian Ziyunshan granite in central Hunan, the temporal, spatial and genetic relationship between the mineralization and the granite is discussed, and the concentrations of ore-forming elements for different granites are measured. The geochemistry of the elements, isotope geochemistry and chronology, and the data derived from the analysis on Au-W deposit in the area are compared with the geologic features of the regional metallogenic rock. The results indicate that Ziyunshan granite is an irregular shaped complex of late Indosinian by multi-stage intrusion. Elements such as W, Sn, Cu, Pb, Ag, Sb, Be, Li and Ta are enriched in the granite. The sulfophilic elements including Au, Pb, Zn and Ag are relatively enriched in the main body of the Ziyunshan granite, while the lithophilic elements including W and Sn are relatively enriched in the late phase of the Ziyunshan granite. The zoning of the ore-forming elements could be observed in the granite: Nb and Ta (inside the granite); W, Sn, Mo and Bi (inner contact zone); Pb, Zn and Cu (contact zone); and Au and Sb (outer contact zone). All the deposits in the area are formed after the intrusion of the Ziyunshan granite except the Ni-Ta-Sn ore formed simultaneously with the Ziyunshan granite. The Ziyunshan granite provides necessary heat, active fluid and partial ore-forming materials sources, which may show good metallogenic potential.
Effects of Heat Treatment on Phase Formation in Cytocompatible Sulphate-Containing Tricalcium Phosphate Materials
Authors: Khayrutdinova Dinara R. , Goldberg Margarita A. , Antonova Olga S. , Krokhicheva Polina A. , Fomin Alexander S. , Obolkina Tatiana O. , Konovalov Anatoliy A. , Akhmedova Suraya A. , Sviridova Irina K. , Kirsanova Valentina A. , Sergeeva Natalia S. , Barinov Sergey M. , Komlev Vladimir S.
Published: January 2023

Powders based on β-tricalcium phosphate (β-TCP) containing sulphate groups at up to 12.0 mol.% were synthesised by chemical precipitation from aqueous solutions. The obtained materials were characterised by X-ray phase analysis, Fourier transform infrared spectroscopy, measurement of specific surface area, scanning electron microscopy, energy dispersive analysis, synchronous thermal analysis, mass spectra investigations and biological assays. It was established that during the synthesis, the obtained materials lose the sulphate groups in the course of heat treatment at 900 or 1200 °C. These groups stabilise low-temperature β-TCP, but when introduced at a high concentration, the sulphate groups contribute to the formation of hydroxyapatite during the heat treatment. Specific surface area of the powders proved to be in the range 81.7–96.5 m2/g. Results of biological assays showed cytocompatibility of both pure β-TCP and samples of sulphate-containing β-TCP. Additionally, matrix properties in the culture of MG-63 cells were revealed in all samples. Thus, the obtained materials are promising for biomedical applications.
Stabilization of As and Heavy Metal-Contaminated Soils by Two Mine Drainage-Treated Sludges
Authors: Tak Hyunji , Kim Seonhee , Kim Kyeongtae , Wang Sookyun , Lee Minhee
Published: January 2023

This study explored and analyzed the potential of the practical use of acid mine drainage-treated sludge (AMDS) as a new soil stabilizer for arsenic (As) and heavy metals. Various analyses, toxicity evaluations, and extraction batch experiments were performed to investigate the characteristics of the AMDS as a soil stabilizer and to identify the main mechanisms to fix As and heavy metals on the AMDS in soil. Two types of AMDS, copper metal mine drainage-treated sludge (MMDS) and coal mine drainage-treated sludge (CMDS) and four contaminated soils with different pollution scenarios were used in the experiments. ‘Soil A’ and ‘Soil D’ were mainly contaminated with Cd, Pb and Zn. ‘Soil B’ and ‘Soil C’ were contaminated with As. Results from XRD, XRF, SEM-EDS, TG-DTA, and BET analyses suggested that AMDS is mainly composed of Fe- and Ca- bearing minerals such as CaCO3, Ca(OH)2 and amorphous Fe-oxide (hydroxide), which have a large surface area and high adsorption capacity for As and heavy metals. From batch extraction experiments, the Pb stabilization efficiency of both of the AMDSs in soil A, which has a high Pb and Zn content, was higher than 90%. The high heavy metal stabilization efficiency comes directly from the electrostatic attraction between metal cations and the negatively charged AMDS surface and/or from the co-precipitation of metal oxide (hydroxide) and CaCO3, which occurs comprehensively on the AMDS surface. In the case of Zn, the stabilization efficiency in soil A was somewhat low due to the adsorption competition with Pb, but the Zn stabilization efficiency of the CMDS in soil A was higher than 80% (70% or higher for the MMDS). For soil D, the Zn stabilization efficiency of two AMDSs was higher than 85% because of the lower concentration of other heavy metals in soil D, compared to in soil A. The As stabilization efficiency of the AMDSs in soil contaminated with As (soil B and soil C) was higher than 85%, (mostly > 95%). The overall stabilization efficiency of two AMDSs for heavy metals and As were higher than 75% and 85% (mostly > 90%), respectively, regardless of soil type. We concluded that this high As stabilization efficiency was due to the formation of a new complex by ligand exchange between the Fe- (oxide) hydroxide and the arsenate and also to the cation bridge effect between the AMDS surface and the arsenate as well as the co-precipitation.
Towards a Mineral Systems Model for Surficial Uranium Mineralization Based on Deposits in the Erongo District of Namibia
Authors: Wilde Andy
Published: January 2023

Surficial deposits in Namibia’s Erongo district contain substantial but low-grade resources of uranium and vanadium (nearly 500 Mlb U3O8), hosted in palaeochannels. This review attempts to develop a mineral systems model for the deposit type, but it is emphasised that research into this important class of deposit has been minimal since the nineteen eighties, largely as a result of a limited investment in uranium exploration. The deposits are the result of groundwater movement in aquifers developed within Cenozoic palaeochannels. The source of uranium was probably granitic rocks traversed by these palaeodrainages, particularly black-quartz rich pegmatites similar to those that make up the hard-rock alaskite deposits of the region. Transport of uranium is generally assumed to have occurred in aqueous uranium species after palaeochannels became filled with sediment. U-enriched clasts within the palaeochannels have yet to be investigated as a local source of uranium. The localised deposition of uranium occurred after regionally extensive carbonate cementation of the palaeochannel sediments, which was the result of climate change (aridification). Pre-uranium calcite may have acted as a chemical buffer (pH) and probably influenced palaeochannel hydrology, restricting groundwater flow to the deeper portions. Uranium is paragenetically related to Mg clays and dolomite, suggesting that the groundwater evolved to a more Mg-rich composition during uranium deposition, probably as a result of more extreme evaporation. The controls on the localisation of mineralisation remain unclear and unpredictable, as are the controls on uranium grade—the fundamental determinant of economic viability. There are few absolute age determinations for any of the deposits, but none occur in rocks likely to be older than the Miocene. This reflects low preservation potential. For example, the Langer Heinrich deposit is incised by active drainage with attendant erosion and probable removal of mineralised material.
Effects of Spodumene Flotation Tailings on Mechanical Properties of Acid-Based Geopolymer Mortar
Authors: Wu Houqin , Yang Jie , Zhang Yongde , Xu Longhua , Meng Jinping , Jin Jiao
Published: January 2023

This study focuses on using spodumene flotation tailings (SFT) to prepare phosphoric acid-activated metakaolin geopolymer, in which the replacement of metakaolin (MK) by a high percentage (up to 75 wt.%) of tailings was achieved. The compressive strength of geopolymer mortar was significantly improved with SFT as aggregates. In addition, the mechanical properties could also be enhanced by an increased concentration of phosphoric acid (H3PO4) solution or a decreased aggregate particle size. The optimized geopolymer mortar composite was SFT:MK = 3:1, which was activated by H3PO4 solution with a concentration of 51 vol%, followed by curing at 55 °C for 24 h. On the other hand, properties of the geopolymer mortar could also be affected by the morphology of the aggregates. For example, SFT as aggregates could produce more interconnected pores compared to standard sand. The major chemical structural units of geopolymer mortar were -P-O-Al- and AlPO4, which could be spontaneously generated according to the thermodynamic calculation results. Finally, many aluminum ions and a small amount of silicon ions could be leached from the tailings under acidic conditions.
Quality Control of Pesticide Residue Measurements and Evaluation of Their Results
Authors: Ambrus Árpád , Doan Vy Vy Ngoc , Szenczi-Cseh Júlia , Szemánné-Dobrik Henriett , Vásárhelyi Adrienn
Published: January 2023

Pesticide residues are monitored in many countries around the world. The main aims of the programs are to provide data for dietary exposure assessment of consumers to pesticide residues and for verifying the compliance of the residue concentrations in food with the national or international maximum residue limits. Accurate residue data are required to reach valid conclusions in both cases. The validity of the analytical results can be achieved by the implementation of suitable quality control protocols during sampling and determination of pesticide residues. To enable the evaluation of the reliability of the results, it is not sufficient to test and report the recovery, linearity of calibration, the limit of detection/quantification, and MS detection conditions. The analysts should also pay attention to and possibly report the selection of the portion of sample material extracted and the residue components according to the purpose of the work, quality of calibration, accuracy of standard solutions, and reproducibility of the entire laboratory phase of the determination of pesticide residues. The sources of errors potentially affecting the measured residue values and the methods for controlling them are considered in this article.
Preparation, Characterization and Molecular Dynamics Simulation of Rutin–Cyclodextrin Inclusion Complexes
Authors: Chang Chaokang , Song Meng , Ma Mingxing , Song Jihong , Cao Fengyi , Qin Qi
Published: January 2023

Rutin is a natural flavonoid that carries out a variety of biological activities, but its application in medicine and food is limited by its water solubility. One of the classical methods used to enhance drug solubility is encapsulation with cyclodextrins. In this paper, the encapsulation of different cyclodextrins with rutin was investigated using a combination of experimental and simulation methods. Three inclusions of rutin/beta-cyclodextrin (β-CD), rutin/2-hydroxypropyl beta-cyclodextrin (HP-β-CD) and rutin/2,6-dimethyl beta-cyclodextrin (DM-β-CD) were prepared by the freeze-drying method, and the inclusions were analyzed using Fourier infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), differential scanning calorimetry (DSC) and ultraviolet–visible spectroscopy (UV) to characterize and demonstrate the formation of the inclusion complexes. Phase solubility studies showed that rutin formed a 1:1 stoichiometric inclusion complex and significantly increased its solubility. β-CD, HP-β-CD, DM-β-CD, rutin and the three inclusion complexes were modeled by using MS2018 and AutoDock 4.0, and molecular dynamics simulations were performed to calculate the solubility parameters, binding energies, mean square displacement (MSD), hydrogen bonding and radial distribution functions (RDF) after the equilibration of the systems. The results of simulation and experiment showed that rutin/DM-β-CD had the best encapsulation effect among the three cyclodextrin inclusion complexes.
Deactivation and Regeneration of Nitrogen Doped Carbon Catalyst for Acetylene Hydrochlorination
Authors: Lu Fangjie , Wang Qinqin , Zhu Mingyuan , Dai Bin
Published: January 2023

The poor stability of carbon materials doped with nitrogen limited their development in acetylene hydrochlorination. Therefore, investigating the deactivation reasons of carbon catalysts and researching regeneration methods became the research focus. Herein, carbon-nitrogen materials were synthesized by one-step pyrolysis, which using biomass materials with high nitrogen content, the synthesized material was used in an acetylene hydrochlorination reaction. The acetylene conversion rate of D-GH-800 catalyst was up to 99%, but the catalytic activity decreased by 30% after 60 h reaction. Thermogravimetric analysis results showed that the coke content was 5.87%, resulting in catalyst deactivation. Temperature-programmed desorption verified that the deactivation was due to the strong adsorption and difficult desorption of acetylene by the D-GH-800 catalyst, resulting in the accumulation of acetylene on the catalyst surface to form carbon polymers and leading to the pore blockage phenomenon. Furthermore, based on the catalyst deactivation by carbon accumulation, we proposed a new idea of regeneration by ZnCl2 activation to eliminate carbon deposition in the pores of the deactivated catalyst. As a result, the activity of D-GH-800 was recovered, and lifetime was also extended. Our strategy illustrated the mechanism of carbon deposition, and the recoverability of the catalyst has promising applications.
In Vitro, In Vivo, and In Silico Analyses of Molecular Anti-Pigmentation Mechanisms of Selected Thai Rejuvenating Remedy and Bioactive Metabolites
Authors: Dej-adisai Sukanya , Koyphokaisawan Nitinant , Wattanapiromsakul Chatchai , Nuankaew Wanlapa , Kang Tong Ho , Pitakbut Thanet
Published: January 2023

Thai rejuvenating remedies are mixed herbal formulas promoting longevity. Due to the complexity, the biological activities of these remedies are minimal. Therefore, in this study, the authors evaluated the anti-pigmentation effect at the molecular level of the selected Thai rejuvenating remedy to fulfill the knowledge gap. First, the authors found that the selected remedy showed promising activity against the tyrosinase enzyme with an IC50 value of 9.41 µg/mL. In the comparison, kojic acid (positive control) exhibited an IC50 value of 3.92 µg/mL against the same enzyme. Later, the authors identified glabridin as a bioactive molecule against tyrosinase with an IC50 value of 0.08 µg/mL. However, ethyl p-methoxycinnamate was the most abundant metabolite found in the remedy. The authors also found that the selected remedy and glabridin reduced the melanin content in the cell-based assay (B16F1) but not in the zebrafish larvae experiment. Finally, the authors conducted a computational investigation through molecular docking proposing a theoretical molecular interplay between glabridin, ethyl p-methoxycinnamate, and target proteins (tyrosinase and melanocortin-1 receptor, MC1R). Hence, in this study, the authors reported the molecular anti-pigmentation mechanism of the selected Thai rejuvenating remedy for the first time by combining the results from in silico, in vitro, and in vivo experiments.
Interlayer Chemical Modulation of Phase Transitions in Two-Dimensional Metal Chalcogenides
Authors: Zhang Zhi , Wang Yi , Zhao Zelin , Song Weijing , Zhou Xiaoli , Li Zejun
Published: January 2023

Two-dimensional metal chalcogenides (2D-MCs) with complex interactions are usually rich in phase transition behavior, such as superconductivity, charge density wave (CDW), and magnetic transitions, which hold great promise for the exploration of exciting physical properties and functional applications. Interlayer chemical modulation, as a renewed surface modification method, presents congenital advantages to regulate the phase transitions of 2D-MCs due to its confined space, strong guest–host interactions, and local and reversible modulation without destructing the host lattice, whereby new phenomena and functionalities can be produced. Herein, recent achievements in the interlayer chemical modulation of 2D-MCs are reviewed from the aspects of superconducting transition, CDW transition, semiconductor-to-metal transition, magnetic phase transition, and lattice transition. We systematically discuss the roles of charge transfer, spin coupling, and lattice strain on the modulation of phase transitions in the guest–host architectures of 2D-MCs established by electrochemical intercalation, solution-processed intercalation, and solid-state intercalation. New physical phenomena, new insight into the mechanism of phase transitions, and derived functional applications are presented. Finally, a prospectus of the challenges and opportunities of interlayer chemical modulation for future research is pointed out.
Molecular Recognition of Imidazole-Based Drug Molecules by Cobalt(III)- and Zinc(II)-Coproporphyrins in Aqueous Media
Authors: Mamardashvili Galina , Kaigorodova Elena , Lebedev Ivan , Mamardashvili Nugzar
Published: January 2023

The methods of 1H NMR, spectrophotometric titration, mass spectrometry and elemental analysis are applied to determine the selective binding ability of Co(III)- and Zn(II)-coproporphyrins I towards a series of imidazole-based drug molecules with a wide spectrum of pharmacological activity (metronidazole, histamine, histidine, tinidazole, mercazolil, and pilocarpine) in phosphate buffer (pH 7.4) simulating the blood plasma environment. It is shown that in aqueous buffer media, Co(III)-coproporphyrin I, unlike Zn(II)-coproporphyrin I, binds two imidazole derivatives, and the stability of mono-axial Co-coproporphyrin imidazole complexes is two to three orders of magnitude higher than that of similar complexes of Zn-coproporphyrin I. The studied porphyrinates are found to have the highest binding ability to histamine and histidine due to the formation of two additional hydrogen bonds between the carboxyl groups of the porphyrinate side chains and the binding sites of the ligands in the case of histidine and a hydrogen bond between the amino group of the ligand and the carbonyl oxygen atom of the carboxyl group of the porphyrinate in the case of histamine. The structures of the resulting complexes are optimized by DFT quantum chemical calculations. The results of these studies may be of use in the design of biosensors, including those for the detection, control and verification of various veterinary drug residues in human food samples.