bluuebunny/crossref_metadata_2025 huggingface dataset:
Attenuation of Immunogenicity in MOG-Induced Oligodendrocytes by the Probiotic Bacterium Lactococcus Sp. PO3
Authors: Khalifa Ashraf , Ibrahim Hairul-Islam Mohamed , Sheikh Abdullah , Khalil Hany Ezzat
Published: September 2023

Background and Objectives: Milk is healthy and includes several vital nutrients and microbiomes. Probiotics in milk and their derivatives modulate the immune system, fight inflammation, and protect against numerous diseases. The present study aimed to isolate novel bacterial species with probiotic potential for neuroinflammation. Materials and Methods: Six milk samples were collected from lactating dairy cows. Bacterial isolates were obtained using standard methods and were evaluated based on probiotic characteristics such as the catalase test, hemolysis, acid/bile tolerance, cell adhesion, and hydrophobicity, as well as in vitro screening. Results: Nine morphologically diverse bacterial isolates were found in six different types of cow’s milk. Among the isolates, PO3 displayed probiotic characteristics. PO3 was a Gram-positive rod cell that grew in an acidic (pH-2) salty medium containing bile salt and salinity (8% NaCl). PO3 also exhibited substantial hydrophobicity and cell adhesion. The sequencing comparison of the 16S rRNA genes revealed that PO3 was Lactococcus raffinolactis with a similarity score of 99.3%. Furthermore, PO3 was assessed for its neuroanti-inflammatory activity on human oligodendrocyte (HOG) cell lines using four different neuroimmune markers: signal transducer and activator of transcription (STAT-3), myelin basic protein (MBP), glial fibrillary acidic protein (GFAP), and GLAC in HOG cell lines induced by MOG. Unlike the rest of the evaluated neuroimmune markers, STAT-3 levels were elevated in the MOG-treated HOG cell lines compared to the untreated ones. The expression level of STAT-3 was attenuated in both PO3-MOG-treated and only PO3-treated cell lines. On the contrary, in PO3-treated cell lines, MBP, GFAP, and GLAC were significantly expressed at higher levels when compared with the MOG-treated cell lines. Conclusions: The findings reported in this article are to be used as a foundation for further in vivo research in order to pave the way for the possible use of probiotics in the treatment of neuroinflammatory diseases, including multiple sclerosis.
Analysis of X5CrNi18-10 (AISI 304) Steel Susceptibility to Hot Cracking in Welded Joints Based on Determining the Range of High-Temperature Brittleness and the Nil-Strength Temperature
Authors: Krajewski Sławomir Janusz , Gutsche Wojciech , Urbanowicz Kamil
Published: September 2023

The conducted research of X5CrNi18-10 (AISI 304) in the DSI Gleeble 3500 device aimed to determine the tensile strength of this steel at elevated temperatures, simulating welding-like conditions while sensitizing the steel to liquation cracking. The defined High-Temperature Brittleness Range (HTBR) made it possible to determine whether the material is susceptible to hot cracking, which can significantly affect the weldability of steel structures. The Nil-Strength Temperature (NST), with an average temperature of 1375 °C, was determined through a thermoplastic test, where the samples were pre-strained and subsequently heated. After the NST tests, no necking or plastic elongation of analyzed samples were noticed. The fracture of the samples was brittle at a low tensile force of 0.1 kN, indicating the value of NST (represents the upper limit of the HTBR). The lower limit of the HTBR (assumed to occur at a relative necking of 5%) was determined by heating samples to a temperature 5 °C lower than the NST and then cooling them to the specified temperature. Once the temperature was reached, the samples were subjected to tensile testing at that temperature, and the percentage necking (Z) and percentage elongation (A) were measured to determine the loss. This work indicates that the estimated Ductility Recovery Temperature (DRT) is slightly lower than 1350 °C, and X5CrNi18-10 (AISI 304) steel has a small HTBR, approximately 15 °C during heating and close to 25 °C during cooling, suggesting minimal tendencies to form hot cracks.
Influence of Metal Processing on Microstructure and Properties: Implications for Biodegradable Metals—A Mini Review
Authors: Jaraba Khulud , Mahapatro Anil
Published: September 2023

Biodegradable metallic alloys are currently being explored extensively for use in temporary implant applications, since the prolonged existence of implants within the body has been linked with health complications and metal toxicity. There are many metal alloy fabrication methods available in the industrial, aerospace, and biomedical fields; some of them have more advanced techniques and specialized equipment than others. Past studies have shown that the performances of materials is greatly affected by the concentration of alloying elements and the metal processing techniques used. However, the impact each fabrication method has on the chemical and mechanical properties of the material is not fully understood; this lack of knowledge limits the advancement of the field of biodegradable metals. This review provides a general introduction to biodegradable metals and their applications and then aims to give a broad overview of the influence of metal processing on the microstructure and properties of metal alloys. The possible implications of these fabrication methods for the biodegradable metals are discussed.
Thermal, Mechanical, and Electrochemical Characterization of Ti50Ni50−XMox Alloys Obtained by Plasma Arc Melting
Authors: Costa Josiane D. , Sousa Mikarla B. , Almeida Arthur F. , Oliveira José A. M. , Silva Paulo C. S. , Alves José J. N. , Campos Ana R. N. , Araújo Carlos J. , Santana Renato A. C. , Delgado João M. P. Q. , Lima Antonio G. B.
Published: September 2023

This study aims to manufacture and characterize titanium and nickel alloys with different molybdenum (Ti–Ni–Mo) contents, focusing on the influence of these additions on the microstructure, mechanical properties, and corrosion resistance. The relevance of this work stems from the lack of research on this specific alloy and the absence of reports in the literature with molybdenum percentages above 2 at.%. Ti50Ni50−XMox alloys were produced by the plasma arc melting method, with six different compositions (x = 0, 0.5, 1, 2, 3, and 4 at.% Mo), and a comprehensive analysis of microstructure, chemical composition, thermal, mechanical, and electrochemical properties was carried out. The results demonstrated significant alterations in the microstructure of the Ni–Ti alloy with the addition of molybdenum presenting several phases, precipitates (TiNi, Ti2Ni), and oxides (Ti4Ni2O, TiO, and TiO3). The stability of the B2 phase increased with molybdenum content, and the monoclinic martensite (B19′) phase was identified only in the Ni–Ti sample. Introducing molybdenum into the Ni–Ti alloy generated the R-phase and shifted the phase transformation peaks to lower temperatures, as differential scanning calorimetry (DSC) indicated. Microhardness and elastic modulus decreased with increasing Mo content, ranging from 494 HV to 272 HV and 74 GPa to 63 GPa, respectively. Corrosion tests revealed increased corrosion resistance with increasing Mo content, reaching a polarization resistance of 2710 kΩ·cm2 and corrosion current of 11.3 µA. Therefore, this study points to Ti–Ni–Mo alloys as potential candidates to increase the range of Ni–Ti alloy applications, mainly in biomaterials, reinforcing its relevance and need in current alloy research.
Impact of Aging Treatment on Microstructure and Performance of Al-Zn-Mg-Cu Alloy Thin Sheets
Authors: Li Peiyue , Zhang Minghui , Zhang Boyang , Liu Kun
Published: September 2023

Al-Zn-Mg-Cu alloy, recognized for its heat-treatable and super-high strength, is a pivotal material for critical structural components in aviation. Consequently, grasping the intricate relationship between heat treatment processes and the microstructural characteristics and properties of the Al-Zn-Mg-Cu alloy is of paramount practical significance. This study encompasses a spectrum of heat treatment methodologies, delving into the diverse effects of distinct aging treatments on the microstructure and performance of thin Al-Zn-Mg-Cu alloy sheets. The findings illuminate that short natural aging treatments bestow heightened strength and hardness upon the alloy, albeit at the expense of ductility. Nevertheless, the alloy retains commendable malleability, enabling significant cold deformation. In contrast, artificial aging markedly elevates the alloy’s strength and hardness, albeit concurrently inducing a precipitous decline in ductility, thereby attenuating the alloy’s cold formability.
Crystallography of Recrystallization in Al and Cu with Fiber Texture
Authors: Lobanov Mikhail L. , Zorina Maria A. , Reznik Pavel L. , Redikultsev Andrey A. , Pastukhov Vladimir I. , Karabanalov Maxim S.
Published: September 2023

The interest in the crystallography of structural transformations is driven by emerging capabilities in texture control and by the resulting anisotropy of the physical-mechanical properties of functional materials and products. The recrystallization texture of cold-drawn Cu and Al samples after recrystallization annealing at different temperatures was studied using EBSD. Equivalent deformation textures of Al and Cu are transformed into different recrystallization textures. The recrystallization nuclei in Al are formed at high-angle boundaries between deformed grains close to Σ3 CSL boundaries. The recrystallization nuclei in Cu are formed inside the deformed grains at twin boundaries (Σ3). The recrystallization nuclei in both Al and Cu are the crystallites whose boundaries approximately correspond to misorientation rotated about the <772> axis at an angle of 52–70° from a deformed matrix. The physical interpretation of the results will allow for the development of new models and the enhancement of existing models of texture inheritance.
Digital Twin Design of a Turbulence Inhibitor in a Tundish Based on the Production Cluster Mining Algorithm
Authors: Wu Jianzhou , Jin Yan , Gan Feifang , Li Xiaoting , Liu Ziyu , Lin Peng , Huang Zhengchao , Ling Hongzhi
Published: September 2023

The lack of a direct and linear relation between inclusion removal from tundishes and the design of their turbulence inhibitors is a difficult challenge. In contrast to the traditional method of optimizing flow control devices based on the residence time distribution curve, this study used the inclusion/flow field database production clustering mining algorithm to conduct step-by-step data mining on the tundish flow field; to produce relevant facts of the flow field characteristics in the inclusion aggregation zone; and to extract the data mining results from the fact database to screen a digital twin algorithm that forecasts the inclusion aggregation area in a tundish to optimize the flow control device. The results showed that the inclusion aggregation area in the tundish impact zone is above the turbulence inhibitor and that the inclusion aggregation area outside the tundish impact zone is at the vortex center of the flow field. According to the mining results, a pseudo-code for screening the inclusion aggregation area was developed, and the turbulence inhibitor was optimized with the help of the digital convergence of the digital and physical models. Finally, in a tundish, the inclusion removal rate in molten steel was increased by 14.4%. The turbulence inhibitor designed by the digital twin method is currently being used in a Chinese steel mill.
A Combined Numerical–Analytical Study for Notched Fatigue Crack Initiation Assessment in TRIP Steel: A Local Strain and a Fracture Mechanics Approach
Authors: Christodoulou Peter I. , Kermanidis Alexis T.
Published: September 2023

In the fatigue design of metallic components using the safe-life approach, fatigue crack initiation as a development of slip systems at the nanoscale, followed by microstructurally short crack growth, is critical for the onset of structural failure. The development of reliable analytical tools for the prediction of crack initiation, although very complex due to the inherent multiscale fatigue damage processes involved, is important for promoting a more sophisticated design but, more importantly, enhancing the safety in regard to fatigue. The assessment of fatigue crack initiation life at the root of a V-shaped notch is performed by implementing a local strain and a fracture mechanics concept. In the low cycle fatigue analysis, the finite element method is used to determine the local stress–strain response at the notch root, which takes into account elastoplastic material behavior. Fatigue crack initiation is treated as the onset of a short corner crack by incremental damage accumulation and failure of a material element volume at the notch root. The finite element results are compared against established methodologies such as the Neuber and strain energy density methods. In the fracture mechanics approach, fatigue crack initiation is treated as the onset and propagation of a corner crack to a finite short crack. Fatigue experiments in two different transformation-induced plasticity (TRIP) steels were conducted to evaluate the analytical predictions and to determine the physical parameters for the definition of crack initiation. The analytical results show that the finite element method may be successfully implemented with existing fatigue models for a more accurate determination of the local stress–strain behavior at the notch tip in order to improve the assessment of fatigue crack initiation life compared to the established analytical methodologies.
Influence of In Situ Magnetic Field on Magnetic Properties of a Bonded Permanent Magnet Manufactured through Material Extrusion Additive Manufacturing
Authors: Hwang Ji Yong , Park Seong Je , Son Yong , Jung Hyo Yun
Published: September 2023

In this study, a material extrusion (MEX) nozzle for fabricating bond magnets was designed to form a unidirectional magnetic field with a solenoid. The hard magnetic properties of the bonded magnets were enhanced by induced magnetic anisotropy. The magnetic field strength for magnetic alignment was controlled by the current applied to the solenoid, and the magnetic field strength formed at the bottom of the solenoid was approximately 10 mT. When a magnetic field was applied to the magnetic particles in filaments, magnetic spins and domains that existed in spherical magnetic particles were magnetically rotated and preferentially aligned with the induced magnetic field. Subsequently, as the polymer matrix was softened by the heat generated by the current induced in the solenoid, bonded magnets were additively manufactured using MEX with in situ magnetic field, and hard magnetic properties such as coercivity, remanence, and maximum energy product of the manufactured magnets were confirmed to be enhanced. The improvement in hard magnetic properties was attributed to the increased magnetic anisotropy caused by magnetic alignment. Based on the results of this study, we expect MEX with a magnetic field application system to be used in the future for manufacturing complex-shaped bonded magnets with improved magnetic properties.
Biomedical Applications of Deformable Hydrogel Microrobots
Authors: Cao Qinghua , Chen Wenjun , Zhong Ying , Ma Xing , Wang Bo
Published: September 2023

Hydrogel, a material with outstanding biocompatibility and shape deformation ability, has recently become a hot topic for researchers studying innovative functional materials due to the growth of new biomedicine. Due to their stimulus responsiveness to external environments, hydrogels have progressively evolved into “smart” responsive (such as to pH, light, electricity, magnetism, temperature, and humidity) materials in recent years. The physical and chemical properties of hydrogels have been used to construct hydrogel micro-nano robots which have demonstrated significant promise for biomedical applications. The different responsive deformation mechanisms in hydrogels are initially discussed in this study; after which, a number of preparation techniques and a variety of structural designs are introduced. This study also highlights the most recent developments in hydrogel micro-nano robots’ biological applications, such as drug delivery, stem cell treatment, and cargo manipulation. On the basis of the hydrogel micro-nano robots’ current state of development, current difficulties and potential future growth paths are identified.
Reevaluation of Hemoparasites in the Black Spiny-Tailed Iguana (Ctenosaura similis) with the First Pathological and Molecular Characterizations of Lankesterella desseri n. sp. and Redescription of Hepatozoon gamezi
Authors: Chang Yen-Chi , Lin Tai-Shen , Huang Wei-Wen , Lee Hung-Yi , Shih Cheng-Hsin , Wu Ying-Chen , Huang Chiu-Chen , Chen Ter-Hsin
Published: September 2023

Hemoprotozoa are microorganisms that parasitize the blood and possess intricate life cycles. Despite the complexity of their nature, little is known about the biology of hemoprotozoa in reptilian hosts. In this study, we conducted disease surveillance on blood samples collected from six black spiny-tailed iguanas (Ctenosaura similis) exhibiting clinical signs. We found two different types of hemoparasites in the blood films and further confirmed they belong to the genera Lakesterella and Hepatozoon through molecular methods. In the tissue section from a dead iguana infected only with Lakesterella sp., parasites were also found in melanomacrophages of the liver and kidney. Since Lakesterella sp. infection has not been reported in C. similis, we propose this hemococcidian as a new species, Lankesterella desseri n. sp. The Hepatozoon parasites discovered in this study were classified as Hepatozoon gamezi based on their morphological characteristics, particularly the notable deformation of all infected erythrocytes, and this classification was further corroborated through molecular biological and phylogenetic analyses. This is the first hemoprotozoa investigation in C. similis with pathological and molecular characterization of these pathogens. We suggest that more studies are needed to understand the epidemiology, transmission, and impact of these parasites on their hosts and ecosystems.
The Application of Organic Matter Temporarily Shifts Carrot Prokaryotic Communities in the Endosphere but Not in the Rhizosphere
Authors: Bagci Irem , Suzuki Kazuki , Asiloglu Rasit , Harada Naoki
Published: September 2023

Endophytic prokaryotes, bacteria, and archaea, are important microorganisms that benefit host plants by promoting plant growth and reducing stress. The objective of this study was to evaluate temporal shifts in the root endophytic prokaryotic communities associated with carrots (Daucus carota subsp. sativus) and the effect of organic matter application on them. Carrots were grown in a planter under five fertilizer treatments (weed compost, bark compost, cattle manure, chemical fertilizer, and no-fertilizer control) and the compositions of rhizosphere and root endosphere prokaryotic communities were determined via amplicon sequencing analysis targeting the 16S rRNA gene at 60 and 108 days after sowing. The results showed that the rhizosphere prokaryotic community compositions were stable despite different sampling times and fertilizer treatments; however, a greater temporal shift and an effect of the type of organic matter applied were observed in the endosphere prokaryotic communities. The differences in treatments resulted in significant differences in the abundance and Faith pyrogenetic diversity of the endosphere prokaryotic community. Genera, such as Burkholderia, Sphingomonas, and Rhodanobacter, that exhibit plant-growth-promoting and biocontrol activities, were detected regardless of the treatments, suggesting that they may play an important ecological role as the core endophytes in carrot roots.
Application of CRISPR-Cas System to Mitigate Superbug Infections
Authors: Rabaan Ali A. , Al Fares Mona A. , Almaghaslah Manar , Alpakistany Tariq , Al Kaabi Nawal A. , Alshamrani Saleh A. , Alshehri Ahmad A. , Almazni Ibrahim Abdullah , Saif Ahmed , Hakami Abdulrahim R. , Khamis Faryal , Alfaresi Mubarak , Alsalem Zainab , Alsoliabi Zainab A. , Al Amri Kawthar Amur Salim , Hassoueh Amal K. , Mohapatra Ranjan K. , Arteaga-Livias Kovy , Alissa Mohammed
Published: September 2023

Multidrug resistance in bacterial strains known as superbugs is estimated to cause fatal infections worldwide. Migration and urbanization have resulted in overcrowding and inadequate sanitation, contributing to a high risk of superbug infections within and between different communities. The CRISPR-Cas system, mainly type II, has been projected as a robust tool to precisely edit drug-resistant bacterial genomes to combat antibiotic-resistant bacterial strains effectively. To entirely opt for its potential, advanced development in the CRISPR-Cas system is needed to reduce toxicity and promote efficacy in gene-editing applications. This might involve base-editing techniques used to produce point mutations. These methods employ designed Cas9 variations, such as the adenine base editor (ABE) and the cytidine base editor (CBE), to directly edit single base pairs without causing DSBs. The CBE and ABE could change a target base pair into a different one (for example, G-C to A-T or C-G to A-T). In this review, we addressed the limitations of the CRISPR/Cas system and explored strategies for circumventing these limitations by applying diverse base-editing techniques. Furthermore, we also discussed recent research showcasing the ability of base editors to eliminate drug-resistant microbes.
Multi-Omics Analysis Reveals Age-Related Microbial and Metabolite Alterations in Non-Human Primates
Authors: Chen Xiang , Liu Yiyun , Pu Juncai , Gui Siwen , Wang Dongfang , Zhong Xiaogang , Tao Wei , Chen Xiaopeng , Chen Weiyi , Chen Yue , Qiao Renjie , Xie Peng
Published: September 2023

Aging is a systemic physiological degenerative process, with alterations in gut microbiota and host metabolism. However, due to the interference of multiple confounding factors, aging-associated molecular characteristics have not been elucidated completely. Therefore, based on 16S ribosomal RNA (rRNA) gene sequencing and non-targeted metabolomic detection, our study systematically analyzed the composition and function of the gut microbiome, serum, and fecal metabolome of 36 male rhesus monkeys spanning from 3 to 26 years old, which completely covers juvenile, adult, and old stages. We observed significant correlations between 41 gut genera and age. Moreover, 86 fecal and 49 serum metabolites exhibited significant age-related correlations, primarily categorized into lipids and lipid-like molecules, organic oxygen compounds, organic acids and derivatives, and organoheterocyclic compounds. Further results suggested that aging is associated with significant downregulation of various amino acids constituting proteins, elevation of lipids, particularly saturated fatty acids, and steroids. Additionally, age-dependent changes were observed in multiple immune-regulatory molecules, antioxidant stress metabolites, and neurotransmitters. Notably, multiple age-dependent genera showed strong correlations in these changes. Together, our results provided new evidence for changing characteristics of gut microbes and host metabolism during aging. However, more research is needed in the future to verify our findings.
Antimicrobial Resistance of Actinobacillus pleuropneumoniae, Streptococcus suis, and Pasteurella multocida Isolated from Romanian Swine Farms
Authors: Siteavu Madalina Iulia , Drugea Roxana Ionela , Pitoiu Elena , Ciobotaru-Pirvu Emilia
Published: September 2023

Antimicrobial resistance is an important health issue in human and veterinary medicine. The aim of this study was to monitor the antimicrobial resistance of three of the most important bacteria involved in porcine respiratory disease. A total of 465 isolates were tested during the 2017–2022 period for antimicrobial susceptibility for Actinobacillus pleuropneumoniae (n = 137), Streptococcus suis (n = 207), and Pasteurella multocida (n = 121) by disk diffusion method. The results were interpreted by CLSI breakpoints, where available. High rates of susceptibility (from 90 to >99%) were observed for cefquinome, ceftiofur, amoxicillin + clavulanic acid, amoxicillin, penicillin, ampicillin, florfenicol, enrofloxacin, marbofloxacin, and trimethoprim–sulfamethoxazole. A. pleuropneumoniae isolates showed high resistance to streptomycin (77%), gentamycin (45%), tilmicosin (39%) erythromycin (33%), oxytetracycline (19%), and tetracycline (18%). For S. suis, the highest rates of resistance were observed for streptomycin (98%), tetracycline (75%), oxytetracycline (72%), doxycycline (52%), and erythromycin (51%). P. multocida presented a high rate of resistance for streptomycin (63%), tilmicosin (29%), oxytetracycline (13%), and tetracycline (14%). Bacteria isolates maintained high susceptibility against antimicrobial agents usually used against the mainly respiratory tract pathogens of swine. Resistance for streptomycin, tetracycline, oxytetracycline, and tilmicosin was high for all the tested pathogens
Uncovering Microbiome Adaptations in a Full-Scale Biogas Plant: Insights from MAG-Centric Metagenomics and Metaproteomics
Authors: Hassa Julia , Tubbesing Tom , Maus Irena , Heyer Robert , Benndorf Dirk , Effenberger Mathias , Henke Christian , Osterholz Benedikt , Beckstette Michael , Pühler Alfred , Sczyrba Alexander , Schlüter Andreas
Published: September 2023

The current focus on renewable energy in global policy highlights the importance of methane production from biomass through anaerobic digestion (AD). To improve biomass digestion while ensuring overall process stability, microbiome-based management strategies become more important. In this study, metagenomes and metaproteomes were used for metagenomically assembled genome (MAG)-centric analyses to investigate a full-scale biogas plant consisting of three differentially operated digesters. Microbial communities were analyzed regarding their taxonomic composition, functional potential, as well as functions expressed on the proteome level. Different abundances of genes and enzymes related to the biogas process could be mostly attributed to different process parameters. Individual MAGs exhibiting different abundances in the digesters were studied in detail, and their roles in the hydrolysis, acidogenesis and acetogenesis steps of anaerobic digestion could be assigned. Methanoculleus thermohydrogenotrophicum was an active hydrogenotrophic methanogen in all three digesters, whereas Methanothermobacter wolfeii was more prevalent at higher process temperatures. Further analysis focused on MAGs, which were abundant in all digesters, indicating their potential to ensure biogas process stability. The most prevalent MAG belonged to the class Limnochordia; this MAG was ubiquitous in all three digesters and exhibited activity in numerous pathways related to different steps of AD.
New Insights into the Genesis of Dibrova U-Th-REE Mineral Deposit (West Azov Megablock, Ukraine) Using Monazite Chemistry
Authors: Poliakovska Kateryna , Pokalyuk Volodymyr , Annesley Irvine R. , Ivanik Olena
Published: September 2023

This paper investigates the monazite grains from the Dibrova rare-earth-thorium-uranium (U-Th-REE) mineral deposit within the Azov Megablock of Ukrainian Shield. U-Th-REE mineralization is associated with K-feldspar-quartz metasandstones and metagritstones (hereafter quartzites) and pegmatoids. The latter possibly represent products of ultrametamorphism/granitization of initially sedimentary clastic rocks during tectono-magmatic activation during the Paleoproterozoic. Ores are composed of quartz as a principal mineral, feldspar, sillimanite, muscovite, monazite, brannerite, uraninite, zircon, rutile, and sulfides. The purpose of this work was to obtain insights into the genesis of the mineral deposit by studying the monazite grains, their chemistry, and ages. Petrographic research work was carried out that included studying/analyzing the monazites from various monazite-bearing rocks (quartzites, pegmatoid, and biotite schist samples). A variety of methods and tools were used, including optical microscopy study, X-ray fluorescence (XRF) mapping of selected samples, as well as scanning electron microscope (SEM) and electron microprobe (EPMA) characterization of monazites, including U-Th-Pb monazite chemical dating. U-Pb-Th chemical electron microprobe dating of the monazites yielded two major distinct monazite age groups at 3.0–2.8 Ga and 2.2–2.0 Ga. The first age group corresponds to the time of formation of the Archean granitoids, which served as a source of monazite for its clastic sedimentation during the Paleoproterozoic in the Dibrova suite sediments. The second age group corresponds to the reprecipitation (i.e., remobilization) of monazite during the Paleoproterozoic tectono-magmatic activation. The location of the mineral deposit within the deep mantle-crustal Devladivska shear zone is another favorable factor for the remobilization and transport of metals. New data on the age of mineralization yield a more complete understanding of the geological history and formation of the complex polyphase rare-earth-uranium-thorium Dibrova mineral deposit.
Frequency Response Method for Diffusivity Characterization of Propane in HZSM-5
Authors: Grün Rebecca , Grau Turuelo Constantino , Ehrling Sebastian , Breitkopf Cornelia
Published: September 2023

Transient uptake curves for propane gas in a bed of HZSM-5 using a volumetric frequency response setup (batch system) were obtained. Thereby, a perturbation, such as a change in volume, was applied to the solid/gas system, and the resulting change in pressure was detected. Two cases of mass transfer limitations (bed diffusion control and micropore diffusion control) were compared, and it was concluded that, in the presented case, micropore diffusion is the rate-determining process. The obtained micropore diffusion coefficient for propane in HZSM-5 was, on average, about 1.2 × 10−10 m2 g−1, which is in good agreement with other frequency response studies shown by literature data. The homemade setup and the modeling presented in this work serve as the basis for ongoing numerical simulations.
Leaching Behavior of Rare Earth Elements and Aluminum from Weathered Crust Elution-Deposited Rare Earth Ore with Ammonium Formate Inhibitor
Authors: Feng Jian , Wu Xiaoyan , Gao Zhiyong , Sun Wei , Zhou Fang , Chi Ruan
Published: September 2023

In situ leaching of weathered crust elution-deposited rare earth ore usually uses ammonium sulfate as the leaching agent, which poses challenges such as low mass transfer efficiency, high consumption of the leaching agent and long leaching periods. In order to intensify the leaching process of rare earth elements and reduce the impurity of leaching accompanying rare earth, ammonium sulfate and ammonium formate were mixed as a novel compound leaching agent to treat weathered crust elution-deposited rare earth ore. The effects of ammonium formate concentration, liquid/solid ratio, leaching agent pH and leaching temperature on the leaching process of rare earth (RE) and aluminum (Al) were investigated and evaluated using the chromatographic plate theory. Results showed that ammonium formate could effectively enhance the mass transfer efficiency of rare earth and significantly inhibit the mass transfer efficiency of aluminum. Leaching agent pH has a greater impact on the mass transfer efficiency of aluminum. A higher leaching temperature could enhance the mass transfer efficiency of rare earth and aluminum by providing a driving force to overcome the resistance of diffusion. The optimum conditions for leaching rare earth and aluminum are 0.1 mol/L ammonium sulfate compounded with 0.032 mol/L ammonium formate, pH 4–8 of the leaching agent, 0.8:1 liquid:solid (mL/g) ratio and room temperature. Under this condition, the mass transfer efficiency of rare earth was improved, and the mass transfer efficiency of aluminum was significantly inhibited.
Compatibility of Nucleobases Containing Pt(II) Complexes with Red Blood Cells for Possible Drug Delivery Applications
Authors: De Castro Federica , Stefàno Erika , Fanizzi Francesco Paolo , Di Corato Riccardo , Abdalla Pasant , Luchetti Francesca , Nasoni Maria Gemma , Rinaldi Rosaria , Magnani Mauro , Benedetti Michele , Antonelli Antonella
Published: September 2023

The therapeutic advantages of some platinum complexes as major anticancer chemotherapeutic agents and of nucleoside analogue-based compounds as essential antiviral/antitumor drugs are widely recognized. Red blood cells (RBCs) offer a potential new strategy for the targeted release of therapeutic agents due to their biocompatibility, which can protect loaded drugs from inactivation in the blood, thus improving biodistribution. In this study, we evaluated the feasibility of loading model nucleobase-containing Pt(II) complexes into human RBCs that were highly stabilized by four N-donors and susceptible to further modification for possible antitumor/antiviral applications. Specifically, platinum-based nucleoside derivatives [PtII(dien)(N7-Guo)]2+, [PtII(dien)(N7-dGuo)]2+, and [PtII(dien)(N7-dGTP)] (dien = diethylenetriamine; Guo = guanosine; dGuo = 2′-deoxy-guanosine; dGTP = 5′-(2′-deoxy)-guanosine-triphosphate) were investigated. These Pt(II) complexes were demonstrated to be stable species suitable for incorporation into RBCs. This result opens avenues for the possible incorporation of other metalated nucleobases analogues, with potential antitumor and/or antiviral activity, into RBCs.
Palladium Iodide Catalyzed Multicomponent Carbonylative Synthesis of 2-(4-Acylfuran-2-yl)acetamides
Authors: Ziccarelli Ida , Veltri Lucia , Prestia Tommaso , Amuso Roberta , Chiacchio Maria A. , Mancuso Raffaella , Gabriele Bartolo
Published: September 2023

2-Propargyl-1,3-dicarbonyl compounds have been carbonylated under oxidative conditions and with the catalysis of the PdI2/KI catalytic system to selectively afford previously unreported 2-(4-acylfuran-2-yl)acetamides in fair to good yields (54–81%) over 19 examples. The process takes place under relatively mild conditions and occurs via a mechanistic pathway involving Csp-H activation by oxidative monoamincarbonylation of the terminal triple bond of the substrates with formation of 2-ynamide intermediates, followed by 5-exo-dig O-cyclization (via intramolecular conjugate addition of the in situ formed enolate to the 2-ynamide moiety) and aromative isomerization.
Massive Solubility Changes in Neuronal Proteins upon Simulated Traumatic Brain Injury Reveal the Role of Shockwaves in Irreversible Damage
Authors: Saei Amir Ata , Gharibi Hassan , Lyu Hezheng , Nilsson Brady , Jafari Maryam , Von Holst Hans , Zubarev Roman A.
Published: September 2023

We investigated the immediate molecular consequences of traumatic brain injuries (TBIs) using a novel proteomics approach. We simulated TBIs using an innovative laboratory apparatus that employed a 5.1 kg dummy head that held neuronal cells and generated a ≤4000 g-force acceleration upon impact. A Proteome Integral Solubility Alteration (PISA) assay was then employed to monitor protein solubility changes in a system-wide manner. Dynamic impacts led to both a reduction in neuron viability and massive solubility changes in the proteome. The affected proteins mapped not only to the expected pathways, such as those of cell adhesion, collagen, and laminin structures, as well as the response to stress, but also to other dense protein networks, such as immune response, complement, and coagulation cascades. The cellular effects were found to be mainly due to the shockwave rather than the g-force acceleration. Soft materials could reduce the impact’s severity only until they were fully compressed. This study shows a way of developing a proteome-based meter for measuring irreversible shockwave-induced cell damage and provides a resource for identifying protein biomarkers of TBIs and potential drug targets for the development of products aimed at primary prevention and intervention.
Revealing the Control Mechanisms of pH on the Solution Properties of Chitin via Single-Molecule Studies
Authors: Zhang Song , Yu Miao , Zhang Guoqiang , He Guanmei , Ji Yunxu , Dong Juan , Zheng Huayan , Qian Lu
Published: September 2023

Chitin is one of the most common polysaccharides and is abundant in the cell walls of fungi and the shells of insects and aquatic organisms as a skeleton. The mechanism of how chitin responds to pH is essential to the precise control of brewing and the design of smart chitin materials. However, this molecular mechanism remains a mystery. Results from single-molecule studies, including single-molecule force spectroscopy (SMFS), AFM imaging, and molecular dynamic (MD) simulations, have shown that the mechanical and conformational behaviors of chitin molecules show surprising pH responsiveness. This can be compared with how, in natural aqueous solutions, chitin tends to form a more relaxed spreading conformation and show considerable elasticity under low stretching forces in acidic conditions. However, its molecular chain collapses into a rigid globule in alkaline solutions. The results show that the chain state of chitin can be regulated by the proportions of inter- and intramolecular H-bonds, which are determined via the number of water bridges on the chain under different pH values. This basic study may be helpful for understanding the cellular activities of fungi under pH stress and the design of chitin-based drug carriers.
Chemical Characterization of Polysaccharide Extracts Obtained from Pomace By-Products of Different White Grape Varieties
Authors: Curiel-Fernández María , Bueno-Herrera Marta , Guadalupe Zenaida , Ayestarán Belén , Pérez-Magariño Silvia
Published: September 2023

Grape pomace is one of the main by-products in the wine industry and contains some high-added-value compounds, such as polysaccharides. Considering the wide application possibilities of polysaccharides in wine and in the food industry, the revalorization of grape pomace to extract polysaccharides presents itself as an opportunity for by-product management. Therefore, the aim of this study was to characterize polysaccharide extracts obtained from pomace by-products of different white grape varieties. The type and content of polysaccharides, proteins and phenols were analyzed. Statistically significant differences were found between the varietal extracts in the types and concentrations of polysaccharides. The extracts obtained from the Verdejo and Puesta en Cruz varieties showed the highest polysaccharide purity and contents, but the type of polysaccharides was different in each case. The Verdejo provided extracts richer in non-pectic polysaccharides, while the Puesta en Cruz provided extracts richer in pectic polysaccharides. The protein and polyphenol contents were low in all extracts, below 2.5% and 3.7%, respectively. These results open up a new possibility for the revalorization of grape pomace by-products to obtain polysaccharide-rich extracts, although it would be interesting to improve both the yield and the purity of the extracts obtained by studying other extraction techniques or processes.
Discovering the Active Ingredients of Medicine and Food Homologous Substances for Inhibiting the Cyclooxygenase-2 Metabolic Pathway by Machine Learning Algorithms
Authors: Tian Yujia , Zhang Zhixing , Yan Aixia
Published: September 2023

Cyclooxygenase-2 (COX-2) and microsomal prostaglandin E2 synthase (mPGES-1) are two key targets in anti-inflammatory therapy. Medicine and food homology (MFH) substances have both edible and medicinal properties, providing a valuable resource for the development of novel, safe, and efficient COX-2 and mPGES-1 inhibitors. In this study, we collected active ingredients from 503 MFH substances and constructed the first comprehensive MFH database containing 27,319 molecules. Subsequently, we performed Murcko scaffold analysis and K-means clustering to deeply analyze the composition of the constructed database and evaluate its structural diversity. Furthermore, we employed four supervised machine learning algorithms, including support vector machine (SVM), random forest (RF), deep neural networks (DNNs), and eXtreme Gradient Boosting (XGBoost), as well as ensemble learning, to establish 640 classification models and 160 regression models for COX-2 and mPGES-1 inhibitors. Among them, ModelA_ensemble_RF_1 emerged as the optimal classification model for COX-2 inhibitors, achieving predicted Matthews correlation coefficient (MCC) values of 0.802 and 0.603 on the test set and external validation set, respectively. ModelC_RDKIT_SVM_2 was identified as the best regression model based on COX-2 inhibitors, with root mean squared error (RMSE) values of 0.419 and 0.513 on the test set and external validation set, respectively. ModelD_ECFP_SVM_4 stood out as the top classification model for mPGES-1 inhibitors, attaining MCC values of 0.832 and 0.584 on the test set and external validation set, respectively. The optimal regression model for mPGES-1 inhibitors, ModelF_3D_SVM_1, exhibited predictive RMSE values of 0.253 and 0.35 on the test set and external validation set, respectively. Finally, we proposed a ligand-based cascade virtual screening strategy, which integrated the well-performing supervised machine learning models with unsupervised learning: the self-organized map (SOM) and molecular scaffold analysis. Using this virtual screening workflow, we discovered 10 potential COX-2 inhibitors and 15 potential mPGES-1 inhibitors from the MFH database. We further verified candidates by molecular docking, investigated the interaction of the candidate molecules upon binding to COX-2 or mPGES-1. The constructed comprehensive MFH database has laid a solid foundation for the further research and utilization of the MFH substances. The series of well-performing machine learning models can be employed to predict the COX-2 and mPGES-1 inhibitory capabilities of unknown compounds, thereby aiding in the discovery of anti-inflammatory medications. The COX-2 and mPGES-1 potential inhibitor molecules identified through the cascade virtual screening approach provide insights and references for the design of highly effective and safe novel anti-inflammatory drugs.
Dissolution Behavior of Fluoroalkylated Diazonaphthoquinone and Its Blends with Fluorinated Copolymers under UV Irradiation
Authors: Kim Gayoung , Kang Sae-Eun , Kim Doo Hong , Won Jong-In , Ku Yejin , Son Jongchan , Lee Jin-Kyun , Jung Byung Jun
Published: September 2023

This article reports on the synthesis of materials containing both a fluoroalkyl group and a diazonaphthoquinone (DNQ) moiety as well as the fabrication of negative- and positive-tone stencil patterns. Additionally, the photoreaction mechanism that contributes to the pattern formation process is discussed, and the application of these materials is explored in the pixel-formation process in organic light-emitting diode (OLED) displays. Fluoroalkylated diazonaphthoquinone (RF2D1) was synthesized using chemically binding a DNQ unit, which can be converted into carboxylic acid derivatives having stronger polarity, with two fluorinated alkyl chains. The purified compound is found to be soluble in a nonpolar fluorous solvent and can be uniformly coated as a thin film. When the thin film of RF2D1 is exposed to 365 nm UV light, its solubility in a fluorous solvent decreases due to the Wolff rearrangement and subsequent hydrolysis of a ketene moiety. In contrast, when a mixture of RF2D1 and a hydrophobic, fluorinated copolymer is tested for the patterning process, the copolymer delays the conversion of the ketene intermediate to carboxylic acid, resulting in the dissolution of the exposed areas in the fluorous solvent. Finally, the applicability of these materials in micropatterning is demonstrated by adopting them in the orthogonal photolithography process to create pixels of OLEDs.
A Photocurable Polysaccharide-Based Hydrogel Delivery of Polydeoxyribonucleotide-Loaded Vectors for Wound Treatment
Authors: Li Zonghui , Ma Xiaojun , Gao Qiang , Zhang Mingxin , Hu Hao
Published: September 2023

The wounds caused by war, accidents, and diseases require timely and effective treatment. Polysaccharides, as natural macromolecules, have good biocompatibility and unique functions, and are excellent substrates for constructing new wound dressings. Short-chain chitosan (SCS) has good water solubility and, importantly, retains a large number of active amino groups. We first introduce double bonds to SCS. This chitosan derivative can be entangled with sodium alginate (SA) through electrostatic interaction. The flowing sol can be applied to a wound with an irregular shape. Under the initiation of a photoinitiator, the internal double bonds are broken and cross-linked to form a gel. The prepared hydrogel wound dressing exhibited good antibacterial properties and can provide a microenvironment conducive to wound repair. A polydeoxyribonucleotide (PDRN) has been proven to have encouraging therapeutic effects for wound healing. PDRN can be condensed by branched polyethylenimine (PEI) to form a nucleic acid delivery system, which can be efficiently uptaken by cells. The cooperation of hydrogel and nucleic-acid-based therapy presented good results in a mouse full-thickness skin wound model.
Application of Iodine as a Catalyst in Aerobic Oxidations: A Sustainable Approach for Thiol Oxidations
Authors: Wang Lijun , Chen Lingxia , Qin Zixuan , Ni Ke , Li Xiao , Yu Zhiyuan , Kuang Zichen , Qin Xinshu , Duan Hongxia , An Jie
Published: September 2023

Iodine is a well-known oxidant that is widely used in organic syntheses. Thiol oxidation by stoichiometric iodine is one of the most commonly employed strategies for the synthesis of valuable disulfides. While recent advancements in catalytic aerobic oxidation conditions have eliminated the need for stoichiometric oxidants, concerns persist regarding the use of toxic or expensive catalysts. In this study, we discovered that iodine can be used as a cheap, low-toxicity catalyst in the aerobic oxidation of thiols. In the catalytic cycle, iodine can be regenerated via HI oxidation by O2 at 70 °C in EtOAc. This protocol harnesses sustainable oxygen as the terminal oxidant, enabling the conversion of primary and secondary thiols with remarkable efficiency. Notably, all 26 tested thiols, encompassing various sensitive functional groups, were successfully converted into their corresponding disulfides with yields ranging from >66% to 98% at a catalyst loading of 5 mol%.