bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Process Parameters on the Formability, Microstructure, and Mechanical Properties of Laser-Arc Hybrid Welding of Q355B Steel
Authors: Zhang Liping , Peng Genchen , Chi Jinze , Bi Jiang , Yuan Xiaoming , Li Wen , Zhang Lijie
Published: June 2023

Thick plate steel structure is widely used in the construction machinery, pressure vessels, ships, and other manufacturing fields. To obtain an acceptable welding quality and efficiency, thick plate steel is always joined by laser-arc hybrid welding technology. In this paper, Q355B steel with a thickness of 20 mm was taken as the research object, and the process of narrow-groove laser-arc hybrid welding was studied. The results showed that the laser-arc hybrid welding method could realize one-backing and two-filling welding with the single-groove angles of 8–12°. At different plate gaps of 0.5 mm, 1.0 mm, and 1.5 mm, the shapes of weld seams were satisfied with no undercut, blowhole, or other defects. The average tensile strength of welded joints was 486~493 MPa, and the fracture position was in the base metal area. Due to the high cooling rate, a large amount of lath martensite formed in heat-affected zone (HAZ) and this zone exhibited higher hardness values. The impact roughness of the welded joint was almost 66–74 J, with different groove angles.
Research on Wide-Temperature Rechargeable Sodium-Sulfur Batteries: Features, Challenges and Solutions
Authors: Liang Yimin , Zhang Boxuan , Shi Yiran , Jiang Ruyi , Zhang Honghua
Published: June 2023

Sodium-sulfur (Na-S) batteries hold great promise for cutting-edge fields due to their high specific capacity, high energy density and high efficiency of charge and discharge. However, Na-S batteries operating at different temperatures possess a particular reaction mechanism; scrutinizing the optimized working conditions toward enhanced intrinsic activity is highly desirable while facing daunting challenges. This review will conduct a dialectical comparative analysis of Na-S batteries. Due to its performance, there are challenges in the aspects of expenditure, potential safety hazards, environmental issues, service life and shuttle effect; thus, we seek solutions in the electrolyte system, catalysts, anode and cathode materials at intermediate and low temperatures (T < 300 °C) as well as high temperatures (300 °C < T < 350 °C). Nevertheless, we also analyze the latest research progress of these two situations in connection with the concept of sustainable development. Finally, the development prospects of this field are summarized and discussed to look forward to the future of Na-S batteries.
The Spatial Correlation and Anisotropy of β-(AlxGa1−x)2O3 Single Crystal
Authors: Li Liuyan , Wan Lingyu , Xia Changtai , Sai Qinglin , Talwar Devki N. , Feng Zhe Chuan , Liu Haoyue , Jiang Jiang , Li Ping
Published: June 2023

The long-range crystallographic order and anisotropy in β-(AlxGa1−x)2O3 (x = 0.0, 0.06, 0.11, 0.17, 0.26) crystals, prepared by optical floating zone method with different Al composition, is systematically studied by spatial correlation model and using an angle-resolved polarized Raman spectroscopy. Alloying with aluminum is seen as causing Raman peaks to blue shift while their full widths at half maxima broadened. As x increased, the correlation length (CL) of the Raman modes decreased. By changing x, the CL is more strongly affected for low-frequency phonons than the modes in the high-frequency region. For each Raman mode, the CL is decreased by increasing temperature. The results of angle-resolved polarized Raman spectroscopy have revealed that the intensities of β-(AlxGa1−x)2O3 peaks are highly polarization dependent, with significant effects on the anisotropy with alloying. As the Al composition increased, the anisotropy of Raman tensor elements was enhanced for the two strongest phonon modes in the low-frequency range, while the anisotropy of the sharpest Raman phonon modes in the high-frequency region decreased. Our comprehensive study has provided meaningful results for comprehending the long-range orderliness and anisotropy in technologically important β-(AlxGa1−x)2O3 crystals.
Investigations on Oxidation Behavior of Free-Standing CoNiCrAlYHf Coating with Different Surface Roughness at 1050 °C
Authors: Hakimi Nadimullah , Song Peng , Huma Tabasum , Hanifi Dadallah , Bakhshyar Danish , Abdul Ghafar Wahab , Huang Taihong
Published: June 2023

MCrAlYHf bond coats are employed in jet and aircraft engines, stationary gas turbines, and power plants, which require strong resistance to oxidation at high temperatures. This study investigated the oxidation behavior of a free-standing CoNiCrAlYHf coating with varying surface roughness. The surface roughness was analyzed using a contact profilometer and SEM. Oxidation tests were conducted in an air furnace at 1050 °C to examine the oxidation kinetics. X-ray diffraction, focused ion beam, scanning electron microscopy, and scanning transmission electron microscopy were employed to characterize the surface oxides. The results show that the sample with Ra = 0.130 µm demonstrates better oxidation resistance compared to Ra = 7.572 µm and other surfaces with higher roughness in this study. Reducing surface roughness led to a decrease in the thickness of oxide scales, while the smoothest surface exhibited increased growth of internal HfO2. The β-phase on the surface with Ra = 130 µm demonstrated faster growth of Al2O3 compared to the γ-phase. An empirical model was suggested to explain the impact of surface roughness on oxidation behavior based on the correlation between the surface roughness level and oxidation rates.
Influence Mechanism of Initial Concreting Temperature and Water-Binder Ratio on Hydration Rate of Fly Ash Concrete
Authors: Quan Juanjuan , Fu Shaojun , Chen Jian , Yang Rudong , Luo Tao , Wang Ding
Published: June 2023

The hydration exothermic rate of fly ash concrete is significantly affected by the initial concreting temperature and water-binder ratio. Firstly, the adiabatic temperature rise and temperature rise rate of fly ash concrete at different initial concreting temperatures and water-binder ratios were obtained by a thermal test instrument; then, the effects of initial concreting temperature and water-binder ratio on the hydration kinetic parameters of the NG-I-D hydration process of fly ash concrete were analyzed by the theory of hydration kinetics; lastly, the effects of initial concreting temperature and water-binder ratio on chemically bound water and pore bulk of fly ash concrete during hydration were analyzed by applying a thermogravimetric analyzer and industrial CT scanning techniques. The results showed that the increase in initial concreting temperature and the decrease in water-binder ratio accelerated the rate of temperature rise, and the initial concreting temperature had a more significant effect than the water-binder ratio. During the hydration reaction, the I process was significantly influenced by the initial concreting temperature, and the D process was significantly influenced by the water-binder ratio; the content of bound water increased with the increase in water-binder ratio and age and the decrease in initial concreting temperature. The initial temperature had a significant effect on the growth rate of 1 to 3 days bound water, and the water-binder ratio had a more significant effect on the growth rate of 3 to 7 days bound water. The porosity was positively correlated with the initial concreting temperature and water-binder ratio and decreased with age, but 1 to 3 days was the key period of porosity change. Additionally, the pore size was also influenced by the initial concreting temperature and water-binder ratio.
The Influence of Osteon Orientation on Surface Topography Parameters after Machining of Cortical Bone Tissue
Authors: Zawadzki Paweł , Talar Rafał , Grochalski Karol , Dąbrowski Mikołaj
Published: June 2023

Mechanical processing of cortical bone tissue is one of the most common surgical procedures. A critical issue accompanying this processing is the condition of the surface layer, which can stimulate tissue growth and serve as a drug carrier. A comparison of the surface condition before and after orthogonal and abrasive processing was conducted to validate the influence of bone tissue’s processing mechanism and orthotropic properties on the surface topography. A cutting tool with a defined geometry and a custom-made abrasive tool was used. The bone samples were cut in three directions, depending on the orientation of the osteons. The cutting forces, acoustic emission, and surface topography were measured. The level of isotropy and the topography of the grooves showed statistical differences relative to the anisotropy directions. After orthogonal processing, the surface topography parameter Ra was determined from 1.38 ± 0.17 μm to 2.82 ± 0.32. In the case of abrasive processing, no correlation was found between the orientation of osteons and topographical properties. The average groove density for abrasive machining was below 1004 ± 0.7, and for orthogonal, it was above 1156 ± 58. Due to the positive properties of the developed bone surface, it is advisable to cut in the transverse direction and parallel to the axis of the osteons.
Effect of Graphene Oxide on the Mechanical Property and Microstructure of Clay-Cement Slurry
Authors: Liu Shujie , Sun Jinze , Zhang Jiwei , Xie Zuodong , Yu Zhijie
Published: June 2023

As a widely used material in underground engineering, clay-cement slurry grouting is characterized by poor initial anti-seepage and filtration capacity, low strength of the resulting stone body, and a tendency to brittle failure. In this study, a novel type of clay-cement slurry was developed by adding of graphene oxide (GO) as a modifier to ordinary clay-cement slurry. The rheological properties of the improved slurry were studied through laboratory tests, and the effects of varying amounts of GO on the slurry’s viscosity, stability, plastic strength, and stone body mechanical properties were analyzed. The results indicated that the viscosity of clay-cement slurry increases by a maximum of 163% with 0.05% GO, resulting in a decrease in the slurry’s fluidity. The stability and plastic strength of GO-modified clay-cement slurry were significantly enhanced, with the plastic strength increasing by a 5.62 time with 0.03% GO and a 7.11 time with 0.05% GO at the same curing time. The stone body of the slurry exhibited increased uniaxial compressive strength and shear strength, with maximum increases of 23.94% and 25.27% with 0.05% GO, respectively, indicating a significant optimization effect on the slurry’s durability. The micro-mechanism for the effect of GO on the properties of slurry was investigated using scanning electron microscopy (SEM) and a diffraction of X-rays (XRD) test. Moreover, a growth model of the stone body of GO-modified clay-cement slurry was proposed. The results showed that after the GO-modified clay-cement slurry was solidified, a clay-cement agglomerate space skeleton with GO monolayer as the core was formed inside the stone body, and with an increase in GO content from 0.03% to 0.05%, the number of clay particles increased. The clay particles filled the skeleton to form a slurry system architecture, which is the primary reason for the superior performance of GO-modified clay-cement slurry when compared with traditional clay-cement slurry.
Design and Analysis of a Desktop Multi-Axis Hybrid Milling-Filament Extrusion CNC Machine Tool for Non-Metallic Materials
Authors: Krimpenis Agathoklis A. , Iordanidis Dimitrios M.
Published: June 2023

Hybrid Manufacturing technologies enable the manufacturability and high manufacturing efficiency of innovative part designs comprising high complexity features which could not otherwise be manufactured in a single or a small number of steps. This study proposes the design of an industrial-grade low-cost fully automated multi-axis hybrid Additive and Subtractive CNC machine for non-metallic parts. It combines operations of a six-axis CNC machining center with a six-axis extrusion 3D printer with automated tool head change for processing parts made of polymer and special 3D printing materials (e.g., carbon fiber reinforced filaments). The design process includes static, dynamic and harmonic response Finite Element Analysis to optimize its structural strength and at the same time to reduce machine component costs down to a few thousand euros for all included components and subsystems, thus making it viable for industrial purposes. In investigated loading scenarios, analysis results show that at the brim of a 200 mm diameter round machine table, even at its most unfavorable angular positions, maximum deformation was no more than 0.24 mm, with a factor of safety in the magnitude of 10 to 20 while applying cutting force profiles with amplitudes up to 100 N, which exceedingly satisfies structural specifications for the proposed machine design operation.
Multi-Country and Multi-Horizon GDP Forecasting Using Temporal Fusion Transformers
Authors: Laborda Juan , Ruano Sonia , Zamanillo Ignacio
Published: June 2023

This paper applies a new artificial intelligence architecture, the temporal fusion transformer (TFT), for the joint GDP forecasting of 25 OECD countries at different time horizons. This new attention-based architecture offers significant advantages over other deep learning methods. First, results are interpretable since the impact of each explanatory variable on each forecast can be calculated. Second, it allows for visualizing persistent temporal patterns and identifying significant events and different regimes. Third, it provides quantile regressions and permits training the model on multiple time series from different distributions. Results suggest that TFTs outperform regression models, especially in periods of turbulence such as the COVID-19 shock. Interesting economic interpretations are obtained depending on whether the country has domestic demand-led or export-led growth. In essence, TFT is revealed as a new tool that artificial intelligence provides to economists and policy makers, with enormous prospects for the future.
A Method for Mathematical Modeling of Hydrodynamic Friction of Plunger Pairs with Consideration of Microgeometry
Authors: Gavrilov Konstantin , Rozhdestvenskii Yuriy , Umurzakov Ildar
Published: June 2023

The fuel injection system heavily relies on the high-pressure fuel pump, which plays a critical role in its overall performance. The fuel pump plunger is subjected to high levels of stress and experiences irregular lubrication during dynamic loads, causing premature wear. In the industrial sector, laser surface micro-texturing has been utilized to reduce friction and enhance anti-wear properties, and its positive impact has been supported by both theoretical and experimental evidence. This article presents a method for determining the hydromechanical characteristics of plunger pairs under conditions of hydrodynamic friction. The microgeometry of friction surfaces was taken into account through the cavitation effect of the lubricating fluid, described by the modified Reynolds equation. Software was developed according to the proposed method. The developed software can be used to analyze the contacting surfaces of plunger pairs and evaluate their tribotechnical characteristics based on the microgeometry parameters of the friction surfaces. The article also discusses the impact of the microgeometry parameters on the quality criteria of the hydromechanical characteristics of the plunger pairs. Computational examples are given for the analysis of contacting surfaces of plunger pairs separated by a lubrication layer. The technical characteristics are evaluated depending on the parameters of the microgeometry of the roughness of the friction surfaces. The influence of the microgeometry parameters on the quality criteria of the hydromechanical characteristics of the plunger pairs is presented.
The Metabolism and Immune Environment in Diffuse Large B-Cell Lymphoma
Authors: Wu Jianbo , Meng Fuqing , Ran Danyang , Song Yalong , Dang Yunkun , Lai Fan , Yang Longyan , Deng Mi , Song Yuqin , Zhu Jun
Published: June 2023

Cells utilize different metabolic processes to maintain their growth and differentiation. Tumor cells have made some metabolic changes to protect themselves from malnutrition. These metabolic alterations affect the tumor microenvironment and macroenvironment. Developing drugs targeting these metabolic alterations could be a good direction. In this review, we briefly introduce metabolic changes/regulations of the tumor macroenvironment and microenvironment and summarize potential drugs targeting the metabolism in diffuse large B-cell lymphoma.
Differential Responses of Bacterial and Fungal Communities to Siderophore Supplementation in Soil Affected by Tobacco Bacterial Wilt (Ralstonia solanacearum)
Authors: Shen Yunxin , Zhao Jiangyuan , Zou Xuefeng , Shi Zhufeng , Liao Yongqin , He Yonghong , Wang Hang , Chen Qibin , Yang Peiweng , Li Minggang
Published: June 2023

Siderophores secreted by microorganisms can promote ecological efficiency and could be used to regulate the unbalanced microbial community structure. The influence of the siderophore activity of Trichoderma yunnanense strain 2-14F2 and Beauveria pseudobassiana strain (2-8F2) on the physiological/biochemical functions and community structure of soil microbes affected by tobacco bacterial wilt (TBW) was studied. DNS Colorimetry and Biolog-eco plates were used to quantify the impacts of strain siderophores on soil enzyme activities and microbial metabolism. Based on Illumina MiSeq high-throughput sequencing, the soil 16S rDNA and ITS sequences were amplified to dissect the response characteristics of alpha/beta diversity and the structure/composition of a soil microbial community toward siderophores. The KEGG database was used to perform the PICRUSt functional prediction of the microbial community. We found that siderophores of 2-14F2 and 2-8F2, at certain concentrations, significantly increased the activities of sucrase (S-SC) and urease (S-UE) in the TBW soil and enhanced the average well color development (AWCD, carbon source utilization capacity) of the microbial community. The metabolic capacity of the diseased soil to amino acids, carbohydrates, polymers, aromatics, and carboxylic acids also increased significantly. The response of the bacterial community to siderophore active metabolites was more significant in alpha diversity, while the beta diversity of the fungal community responded more positively to siderophores. The relative abundance of Actinobacteria, Chloroflexi, and Acidobacteria increased and was accompanied by reductions in Proteobacteria and Firmicutes. LEfSe analysis showed that Pseudonocardiaceae, Gemmatimonas, Castellaniella, Chloridiumand and Acrophialophora altered the most under different concentrations of siderophore active metabolites. The PICRUSt functional prediction results showed that siderophore increased the abundance of the redox-related enzymes of the microbial community in TBW soil. The BugBase phenotypic prediction results showed that the siderophore activity could decrease the abundance of pathogenic bacteria. The study concludes that siderophore activity could decrease the abundance of pathogenic bacteria and regulate the composition of the microbial community in TBW soil. The activities of sucrase (S-SC) and urease (S-UE) in TBW soil were significantly increased. Overall, the siderophore regulation of community structures is a sustainable management strategy for soil ecosystems.
Biosynthesis of Silver Nanoparticles from Duchesnea indica Extracts Using Different Solvents and Their Antibacterial Activity
Authors: Kim Se-Min , Choi Hye-Jo , Lim Jeong-A , Woo Min-Ah , Chang Hyun-Joo , Lee Nari , Lim Min-Cheol
Published: June 2023

Silver nanoparticles (AgNPs) were synthesized using the whole plant of Duchesnea indica (DI) which was extracted in different solvents; the antimicrobial effects of the extract were investigated in this study. The extraction of DI was performed using three different solvents: water, pure ethanol (EtOH), and pure dimethyl sulfoxide (DMSO). AgNP formation was monitored by measuring the UV–Vis spectrum of each reaction solution. After synthesis for 48 h, the AgNPs were collected and the negative surface charge and size distribution of the synthesized AgNPs were measured using dynamic light scattering (DLS). The AgNP structure was determined by high-resolution powder X-ray diffraction (XRD) and the AgNP morphology was investigated using transmission electron microscopy (TEM). AgNP antibacterial activities were evaluated against Bacillus cereus, Staphylococcus aureus, Escherichia coli, Salmonella enteritidis, and Pseudomonas aeruginosa using the disc diffusion method. Additionally, minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values were also determined. Biosynthesized AgNPs showed enhanced antibacterial activity against B. cereus, S. aureus, E. coli, S. enteritidis, and P. aeruginosa compared with that of pristine solvent extract. These results suggest that AgNPs synthesized from extracts of DI are promising antibacterial agents against pathogenic bacteria and can be further applied in the food industry.
Thymus satureioides Coss.: Mineral Composition, Nutritional Value, Phytochemical Profiling, and Dermatological Properties
Authors: Mahdi Ismail , Fahsi Nidal , Annaz Hassan , Drissi Badreddine , Barakate Mustapha , Mahmoud Mona F. , Sobeh Mansour
Published: June 2023

Zaitra, Thymus satureioides, is an aromatic plant with a long history of use in traditional medicine. In this study, we assessed the mineral composition, nutritional value, phytocontents, and dermatological properties of the aerial parts of T. satureioides. The plant contained high contents of calcium and iron, moderate levels of magnesium, manganese, and zinc, and low contents of total nitrogen, total phosphorus, total potassium, and copper. It is rich in several amino acids, including asparagine, 4-hydroxyproline, isoleucine, and leucine, and the essential amino acids account for 60.8%. The extract contains considerable amounts of polyphenols and flavonoids (TPC = 118.17 mg GAE/g extract and TFC = 32.32 mg quercetin/g extract). It also comprises 46 secondary metabolites, identified through LC-MS/MS analysis, belonging to phenolic acids, chalcones, and flavonoids. The extract elicited pronounced antioxidant activities, inhibited the growth of P. aeruginosa (MIC = 50 mg/mL), and reduced biofilm formation by up to 35.13% using the ¼ sub-MIC of 12.5 mg/mL. Moreover, bacterial extracellular proteins and exopolysaccharides were diminished by 46.15% and 69.04%, respectively. Likewise, the swimming of the bacterium was impaired (56.94% decrease) in the presence of the extract. In silico, skin permeability and sensitization effects revealed that out of the 46 identified compounds, 33 were predicted to be exempt from any skin sensitivity risk (Human Sensitizer Score ≤ 0.5), while extensive skin permeabilities were observed (Log Kp = −3.35–−11.98 cm/s). This study provides scientific evidence about the pronounced activities of T. satureioides, supports its traditional uses, and promotes its utilization in the development of new drugs, food supplements, and dermatological agents.
Ambipolar Charge Transport in Organic Semiconductors: How Intramolecular Reorganization Energy Is Controlled by Diradical Character
Authors: Dai Yasi , Zerbini Andrea , Casado Juan , Negri Fabrizia
Published: June 2023

The charged forms of π–conjugated chromophores are relevant in the field of organic electronics as charge carriers in optoelectronic devices, but also as energy storage substrates in organic batteries. In this context, intramolecular reorganization energy plays an important role in controlling material efficiency. In this work, we investigate how the diradical character influences the reorganization energies of holes and electrons by considering a library of diradicaloid chromophores. We determine the reorganization energies with the four-point adiabatic potential method using quantum–chemical calculations at density functional theory (DFT) level. To assess the role of diradical character, we compare the results obtained, assuming both closed-shell and open-shell representations of the neutral species. The study shows how the diradical character impacts the geometrical and electronic structure of neutral species, which in turn control the magnitude of reorganization energies for both charge carriers. Based on computed geometries of neutral and charged species, we propose a simple scheme to rationalize the small, computed reorganization energies for both n-type and p-type charge transport. The study is supplemented with the calculation of intermolecular electronic couplings governing charge transport for selected diradicals, further supporting the ambipolar character of the investigated diradicals.
Physical Characteristics, Blue-Green Band Emission and Photocatalytic Activity of Au-Decorated ZnO Quantum Dots-Based Thick Films Prepared Using the Doctor Blade Technique
Authors: Fatehmulla Amanullah , Shamsan Belqes A. , El-Naggar Ahmed M. , Aldhafiri Abdullah M. , Qureshi Nilam , Kim Taesung , Atif Muhammad , Mahmood Asif , Asif Mohammad
Published: June 2023

Nanoscale ZnO is a vital semiconductor material whose versatility can be enhanced by sensitizing it with metals, especially noble metals, such as gold (Au). ZnO quantum dots were prepared via a simple co-precipitation technique using 2-methoxy ethanol as the solvent and KOH as the pH regulator for hydrolysis. The synthesized ZnO quantum dots were deposited onto glass slides using a simple doctor blade technique. Subsequently, the films were decorated with gold nanoparticles of different sizes using a drop-casting method. The resultant films were characterized via various strategies to obtain structural, optical, morphological, and particle size information. The X-ray diffraction (XRD) reveals the formation of the hexagonal crystal structure of ZnO. Upon Au nanoparticles loading, peaks due to gold are also observed. The optical properties study shows a slight change in the band gap due to Au loading. Nanoscale sizes of particles have been confirmed through electron microscope studies. P.L. studies display blue and blue-green band emissions. The significant degradation efficiency of 90.2% methylene blue (M.B.) was attained in natural pH in 120 min using pure ZnO catalyst while one drop gold-loaded catalysts, ZnO: Au 5 nm, ZnO: Au 7 nm, ZnO: Au 10 nm and ZnO: Au 15 nm, delivered M.B. degradation efficiency of 74.5% (in 245 min), 63.8% (240 min), 49.6% (240 min) and 34.0% (170 min) in natural pH, respectively. Such films can be helpful in conventional catalysis, photocatalysis, gas sensing, biosensing, and photoactive applications.
Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection
Authors: Rahman Md Shafiqur , Han Min Jung , Kim Sang Won , Kang Seong Mu , Kim Bo Ri , Kim Heesun , Lee Chang Jun , Noh Jung Eun , Kim Hanseong , Lee Jie-Oh , Jang Sung Key
Published: June 2023

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused devastation to human society through its high virulence, infectivity, and genomic mutations, which reduced the efficacy of vaccines. Here, we report the development of aptamers that effectively interfere with SARS-CoV-2 infection by targeting its spike protein, which plays a pivotal role in host cell entry of the virus through interaction with the viral receptor angiotensin-converting enzyme 2 (ACE2). To develop highly effective aptamers and to understand their mechanism in inhibiting viral infection, we determined the three-dimensional (3D) structures of aptamer/receptor-binding domain (RBD) complexes using cryogenic electron microscopy (cryo-EM). Moreover, we developed bivalent aptamers targeting two distinct regions of the RBD in the spike protein that directly interact with ACE2. One aptamer interferes with the binding of ACE2 by blocking the ACE2-binding site in RBD, and the other aptamer allosterically inhibits ACE2 by binding to a distinct face of RBD. Using the 3D structures of aptamer–RBD complexes, we minimized and optimized these aptamers. By combining the optimized aptamers, we developed a bivalent aptamer that showed a stronger inhibitory effect on virus infection than the component aptamers. This study confirms that the structure-based aptamer-design approach has a high potential in developing antiviral drugs against SARS-CoV-2 and other viruses.
Effect of Low-Dose Line-Spectrum and Full-Spectrum UV on Major Humoral Components of Human Blood
Authors: Sozarukova Madina M. , Skachko Nadezhda A. , Chilikina Polina A. , Novikov Dmitriy O. , Proskurnina Elena V.
Published: June 2023

Ultraviolet blood irradiation (UVBI) is an alternative approach to the treatment of infectious diseases of various pathogeneses. Recently, UVBI has attracted particular interest as a new immunomodulatory method. Experimental studies available in the literature demonstrate the absence of precise mechanisms of the effect of ultraviolet radiation (UV) on blood. Here, we investigated the effect of UV radiation of line-spectrum mercury lamp (doses up to 500 mJ/cm2) traditionally used in UVBI on the major humoral blood components: albumin, globulins and uric acid. Preliminary data on the effect of various doses of UV radiation of full-spectrum flash xenon lamp (doses up to 136 mJ/cm2), a new promising source for UVBI, on the major blood plasma protein, albumin, are presented. The research methodology included spectrofluorimetric analysis of the oxidative modification of proteins and analysis of the antioxidant activity of humoral blood components by chemiluminometry. The effect of UV radiation on albumin caused its oxidative modification and, accordingly, an impairment of the transport properties of the protein. At the same time, UV-modified albumin and γ-globulins acquired pronounced antioxidant properties compared to native samples. Uric acid mixed with albumin did not protect the protein against UV-induced oxidation. The flash full-spectrum UV qualitatively had the same effect on albumin as line-spectrum UV did, but an order of magnitude lower doses were required to achieve comparable effects. The suggested protocol can be used for selecting a safe individual dose for UV therapy.
Contact and Gastric Effect of Peppermint Oil on Selected Pests and Aphid Predator Harmonia axyridis Pallas
Authors: Gospodarek Janina , Krajewska Agnieszka , Paśmionka Iwona B.
Published: June 2023

Peppermint essential oil (EO) has been extensively tested to date in reducing stored-product insects and insects of public health concern with very promising results, while only a few studies target important crop pests. There is also very little information on the effects of peppermint EO on non-target organisms, especially concerning contact and gastric effects at the same time. The goal of the investigation was the determination of the effect of peppermint EO on the mortality of Aphis fabae Scop.; the feeding intensity and weight gain of Leptinotarsa decemlineata Say. larvae; and the mortality and voracity of non-target organism Harmonia axyridis Pallas larvae. Our research indicates promising use for the M. piperita EO against aphids and young larvae (second instars) of the Colorado potato beetle. M. piperita EO showed good insecticidal efficacy against A. fabae with LC50 = 0.5442% for nymphs and 0.3768% for wingless females after 6 h. Over time, the LC50 value decreased. For the second instar larvae of L. decemlineata, the LC50 values were 0.6278%, 0.3449%, and 0.2020% after 1, 2, and 3 days of the experiment, respectively. On the other hand, older larvae (fourth instar) were characterized by significant resistance to the tested oil concentrations with LC50 value = 0.7289% after 96 h. M. piperita oil (contact and gastric effects) at a concentration of 0.5% was found to be toxic to young larvae (2 and 5 days old) of H. axyridis, while EO at a concentration of 1% was toxic to 8-day-old larvae. Thus, for the sake of ladybug safety, it would be advisable to use EO from M. piperita against aphids at concentrations lower than 0.5%.
An Integrated Computational Analysis of High-Risk SNPs in Angiopoietin-like Proteins (ANGPTL3 and ANGPTL8) Reveals Perturbed Protein Dynamics Associated with Cancer
Authors: Iqbal Sajid , Begum Farida , Nyamai Dorothy Wavinya , Jalal Nasir , Shaw Peter
Published: June 2023

Angiopoietin-like proteins (ANGPTL) constitute a family of eight proteins (1–8) which play a pivotal role in the regulation of various pathophysiological processes. The current study sought to identify high-risk, “non-synonymous, single-nucleotide polymorphisms” (nsSNPs) in both ANGPTL3 and ANGPTL8 to evaluate the role that these nsSNPs play in various types of cancer. We retrieved a total of 301 nsSNPs from various databases; 79 of these candidates constitute high-risk nsSNPs. Moreover, we identified eleven high-risk nsSNPs that cause various types of cancer: seven candidates for ANGPTL3 (L57H, F295L, L309F, K329M, R332L, S348C, and G409R) and four candidates for ANGPTL8 (P23L, R85W, R138S, and E148D). Protein–protein interaction analysis revealed a strong association of ANGPTL proteins with several tumor-suppressor proteins such as ITGB3, ITGAV, and RASSF5. ‘Gene-expression profiling interactive analysis’ (GEPIA) showed that expression of ANGPTL3 is significantly downregulated in five cancers: sarcoma (SARC); cholangio carcinoma (CHOL); kidney chromophobe carcinoma (KICH); kidney renal clear cell carcinoma (KIRC); and kidney renal papillary cell carcinoma (KIRP). GEPIA also showed that expression of ANGPTL8 remains downregulated in three cancers: CHOL; glioblastoma (GBM); and breast invasive carcinoma (BRCA). Survival rate analysis indicated that both upregulation and downregulation of ANGPTL3 and ANGPTL8 leads to low survival rates in various types of cancer. Overall, the current study revealed that both ANGPTL3 and ANGPTL8 constitute potential prognostic biomarkers for cancer; moreover, nsSNPs in these proteins might lead to the progression of cancer. However, further in vivo investigation will be helpful to validate the role of these proteins in the biology of cancer.
Synthesis of Near-Infrared-Absorbing Anionic Heptamethine Cyanine Dyes with Trifluoromethyl Groups
Authors: Masuoka Hiroki , Kubota Yasuhiro , Inuzuka Toshiyasu , Funabiki Kazumasa
Published: June 2023

A novel anionic heptamethine cyanine (HMC) dye with two trifluoromethyl groups that selectively absorb near-infrared light is synthesized. When contrasted with previously studied anionic HMC dyes with substituents such as methyl, phenyl, and pentafluorophenyl groups, the trifluoromethylated dye displays a red-shifted maximum absorption wavelength (for instance, 948 nm in CH2Cl2) along with enhanced photostability. Furthermore, HMC dyes with broad absorption in the near-infrared region are synthesized by combining a trifluoromethylated anionic HMC dye with a cationic HMC dye as a counterion.
Unlocking the Potential of Deep Eutectic Solvents for C–H Activation and Cross-Coupling Reactions: A Review
Authors: El Baraka Yassine , Hamdoun Ghanem , El Brahmi Nabil , El Kazzouli Saïd
Published: June 2023

Green chemistry principles have underpinned the development of deep eutectic solvents (DESs). In this brief overview, we discuss the potential of DESs as a greener alternative to volatile organic solvents for cross-coupling and C–H activation reactions in organic chemistry. DESs offer numerous benefits, such as easy preparation, low toxicity, high biodegradability, and the potential to replace volatile organic compounds. The ability of DESs to recover the catalyst-solvent system enhances their sustainability. This review highlights recent advances and challenges in utilizing DESs as a reaction media, as well as the impact of physicochemical properties on the reaction process. Several types of reactions are studied to highlight their effectiveness at promoting C–C bond formation. Aside from demonstrating the success of DESs in this context, this review also discusses the limitations and future prospects of DESs in organic chemistry.
Preparation, Properties and Therapeutic Effect of a TPL Nanoparticle Thermosensitive Gel for Intra-Articular Injection
Authors: Wang Lijuan , Ding Yongliang , Tang Qian , Niu Xiaodong
Published: June 2023

Most injectable preparations for the articular cavity are solution-type preparations that are frequently administered because of rapid elimination. In this study, triptolide (TPL), an effective ingredient in the treatment of rheumatoid arthritis (RA), was prepared in the form of a nanoparticle thermosensitive gel (TPL-NS-Gel). The particle size distribution and gel structure were investigated by TEM, laser particle size analysis and laser capture microdissection. The effect of the nanoparticle carrier material PLGA on the phase transition temperature was investigated by 1H variable temperature NMR and DSC. The tissue distribution, pharmacokinetic behavior, four inflammatory factors and therapeutic effect were determined in a rat RA model. The results suggested that PLGA increased the gel phase transition temperature. The drug concentration of the TPL-NS-Gel group in joint tissues was higher than that in other tissues at different time points, and the retention time was longer than that of the TPL-NS group. After 24 days of administration, TPL-NS-Gel significantly improved the joint swelling and stiffness of the rat models, and the improvement degree was better than that of the TPL-NS group. TPL-NS-Gel significantly decreased the levels of hs-CRP, IL-1, IL-6 and TNF-α in serum and joint fluid. There was a significant difference between the TPL-NS-Gel and TPL-NS groups on Day 24 (p < 0.05). Pathological section results showed that inflammatory cell infiltration was lower in the TPL-NS-Gel group, and no other obvious histological changes were observed. Upon articular injection, the TPL-NS-Gel prolonged drug release, reduced the drug concentration outside the articular tissue and improved the therapeutic effect in a rat RA model. The TPL-NS-Gel can be used as a new type of sustained-release preparation for articular injection.
Multivariate Curve Resolution Methodology Applied to the ATR-FTIR Data for Adulteration Assessment of Virgin Coconut Oil
Authors: De Luca Michele , Ioele Giuseppina , Grande Fedora , Occhiuzzi Maria Antonietta , Chieffallo Martina , Garofalo Antonio , Ragno Gaetano
Published: June 2023

Virgin coconut oil (VCO) is a functional food with important health benefits. Its economic interest encourages fraudsters to deliberately adulterate VCO with cheap and low-quality vegetable oils for financial gain, causing health and safety problems for consumers. In this context, there is an urgent need for rapid, accurate, and precise analytical techniques to detect VCO adulteration. In this study, the use of Fourier transform infrared (FTIR) spectroscopy combined with multivariate curve resolution–alternating least squares (MCR-ALS) methodology was evaluated to verify the purity or adulteration of VCO with reference to low-cost commercial oils such as sunflower (SO), maize (MO) and peanut (PO) oils. A two-step analytical procedure was developed, where an initial control chart approach was designed to assess the purity of oil samples using the MCR-ALS score values calculated on a data set of pure and adulterated oils. The pre-treatment of the spectral data by derivatization with the Savitzky–Golay algorithm allowed to obtain the classification limits able to distinguish the pure samples with 100% of correct classifications in the external validation. In the next step, three calibration models were developed using MCR-ALS with correlation constraints for analysis of adulterated coconut oil samples in order to assess the blend composition. Different data pre-treatment strategies were tested to best extract the information contained in the sample fingerprints. The best results were achieved by derivative and standard normal variate procedures obtaining RMSEP and RE% values in the ranges of 1.79–2.66 and 6.48–8.35%, respectively. The models were optimized using a genetic algorithm (GA) to select the most important variables and the final models in the external validations gave satisfactory results in quantifying adulterants, with absolute errors and RMSEP of less than 4.6% and 1.470, respectively.
Special Issue: Research on Polyoxometalate Materials
Authors: Cui Xiao-Bing
Published: June 2023

The science of polyoxometalates (POMs) has come a long way since molybdenum blue was first described in 1778 [...]
Molecular Engineering of E. coli Bacterioferritin: A Versatile Nanodimensional Protein Cage
Authors: van der Ven Anton M. , Gyamfi Hawa , Suttisansanee Uthaiwan , Ahmad Muhammad S. , Su Zhengding , Taylor Robert M. , Poole Amanda , Chiorean Sorina , Daub Elisabeth , Urquhart Taylor , Honek John F.
Published: June 2023

Currently, intense interest is focused on the discovery and application of new multisubunit cage proteins and spherical virus capsids to the fields of bionanotechnology, drug delivery, and diagnostic imaging as their internal cavities can serve as hosts for fluorophores or bioactive molecular cargo. Bacterioferritin is unusual in the ferritin protein superfamily of iron-storage cage proteins in that it contains twelve heme cofactors and is homomeric. The goal of the present study is to expand the capabilities of ferritins by developing new approaches to molecular cargo encapsulation employing bacterioferritin. Two strategies were explored to control the encapsulation of a diverse range of molecular guests compared to random entrapment, a predominant strategy employed in this area. The first was the inclusion of histidine-tag peptide fusion sequences within the internal cavity of bacterioferritin. This approach allowed for the successful and controlled encapsulation of a fluorescent dye, a protein (fluorescently labeled streptavidin), or a 5 nm gold nanoparticle. The second strategy, termed the heme-dependent cassette strategy, involved the substitution of the native heme with heme analogs attached to (i) fluorescent dyes or (ii) nickel-nitrilotriacetate (NTA) groups (which allowed for controllable encapsulation of a histidine-tagged green fluorescent protein). An in silico docking approach identified several small molecules able to replace the heme and capable of controlling the quaternary structure of the protein. A transglutaminase-based chemoenzymatic approach to surface modification of this cage protein was also accomplished, allowing for future nanoparticle targeting. This research presents novel strategies to control a diverse set of molecular encapsulations and adds a further level of sophistication to internal protein cavity engineering.
Collagen-Derived Dipeptide Pro-Hyp Enhanced ATDC5 Chondrocyte Differentiation under Hypoxic Conditions
Authors: Kimira Yoshifumi , Sato Takahiro , Sakamoto Mayu , Osawa Yoshihiro , Mano Hiroshi
Published: June 2023

Chondrocytes are surrounded by a lower oxygen environment than other well-vascularized tissues with higher oxygenation levels. Prolyl-hydroxyproline (Pro-Hyp), one of the final collagen-derived peptides, has been previously reported to be involved in the early stages of chondrocyte differentiation. However, whether Pro-Hyp can alter chondrocyte differentiation under physiological hypoxic conditions is still unclear. This study aimed to investigate whether Pro-Hyp affects the differentiation of ATDC5 chondrogenic cells under hypoxic conditions. The addition of Pro-Hyp resulted in an approximately 18-fold increase in the glycosaminoglycan staining area compared to the control group under hypoxic conditions. Moreover, Pro-Hyp treatment significantly upregulated the expression of SOX9, Col2a1, Aggrecan, and MMP13 in chondrocytes cultured under hypoxic conditions. These results demonstrate that Pro-Hyp strongly promotes the early differentiation of chondrocytes under physiological hypoxic conditions. Therefore, Pro-Hyp, a bioactive peptide produced during collagen metabolism, may function as a remodeling factor or extracellular matrix remodeling signal that regulates chondrocyte differentiation in hypoxic cartilage.
An Integrated Electrochemical System for Synergistic Cathodic Nitrate Reduction and Anodic Sulfite Oxidation
Authors: Cui Bing , Wang Shizhao , Guo Xiaofu , Zhao Yingying , Rohani Sohrab
Published: June 2023

Electrochemical reduction of nitrate has broad application prospects. However, in traditional electrochemical reduction of nitrate, the low value of oxygen produced by the anodic oxygen evolution reaction and the high overpotential limit its application. Seeking a more valuable and faster anodic reaction to form a cathode–anode integrated system with nitrate reaction can effectively accelerate the reaction rate of the cathode and anode, and improve the utilization of electrical energy. Sulfite, as a pollutant after wet desulfurization, has faster reaction kinetics in its oxidation reaction compared to the oxygen evolution reaction. Therefore, this study proposes an integrated cathodic nitrate reduction and anodic sulfite oxidation system. The effect of operating parameters (cathode potential, initial NO3−–N concentration, and initial SO32−–S concentration) on the integrated system was studied. Under the optimal operating parameters, the nitrate reduction rate in the integrated system reached 93.26% within 1 h, and the sulfite oxidation rate reached 94.64%. Compared with the nitrate reduction rate (91.26%) and sulfite oxidation rate (53.33%) in the separate system, the integrated system had a significant synergistic effect. This work provides a reference for solving nitrate and sulfite pollution, and promotes the application and development of electrochemical cathode–anode integrated technology.
Antibody and Nanobody Radiolabeling with Copper-64: Solid vs. Liquid Target Approach
Authors: Hrynchak Ivanna , Cocioabă Diana , Fonseca Alexandra I. , Leonte Radu , do Carmo Sérgio J. C. , Cornoiu Roxana , Falcão Amílcar , Niculae Dana , Abrunhosa Antero J.
Published: June 2023

Antibody and nanobody-based copper-64 radiopharmaceuticals are increasingly being proposed as theranostic tools in multiple human diseases. While the production of copper-64 using solid targets has been established for many years, its use is limited due to the complexity of solid target systems, which are available in only a few cyclotrons worldwide. In contrast, liquid targets, available in virtually in all cyclotrons, constitute a practical and reliable alternative. In this study, we discuss the production, purification, and radiolabeling of antibodies and nanobodies using copper-64 obtained from both solid and liquid targets. Copper-64 production from solid targets was performed on a TR-19 cyclotron with an energy of 11.7 MeV, while liquid target production was obtained by bombarding a nickel-64 solution using an IBA Cyclone Kiube cyclotron with 16.9 MeV on target. Copper-64 was purified from both solid and liquid targets and used to radiolabel NODAGA-Nb, NOTA-Nb, and DOTA-Trastuzumab conjugates. Stability studies were conducted on all radioimmunoconjugates in mouse serum, PBS, and DTPA. Irradiation of the solid target yielded 13.5 ± 0.5 GBq with a beam current of 25 ± 1.2 μA and an irradiation time of 6 h. On the other hand, irradiation of the liquid target resulted in 2.8 ± 1.3 GBq at the end of bombardment (EOB) with a beam current of 54.5 ± 7.8 μA and an irradiation time of 4.1 ± 1.3 h. Successful radiolabeling of NODAGA-Nb, NOTA-Nb, and DOTA-Trastuzumab with copper-64 from both solid and liquid targets was achieved. Specific activities (SA) obtained with the solid target were 0.11, 0.19, and 0.33 MBq/μg for NODAGA-Nb, NOTA-Nb, and DOTA-trastuzumab, respectively. For the liquid target, the corresponding SA values were 0.15, 0.12, and 0.30 MBq/μg. Furthermore, all three radiopharmaceuticals demonstrated stability under the testing conditions. While solid targets have the potential to produce significantly higher activity in a single run, the liquid process offers advantages such as speed, ease of automation, and the feasibility of back-to-back production using a medical cyclotron. In this study, successful radiolabeling of antibodies and nanobodies was achieved using both solid and liquid targets approaches. The radiolabeled compounds exhibited high radiochemical purity and specific activity, rendering them suitable for subsequent in vivo pre-clinical imaging studies.