bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular and Morphological Identification of Sarocladium Species Causing Sheath Rot of Rice in Thailand and Their Division into Physiological Races
Authors: Unartngam Jintana , Kopmoo Noppol , Pinruan Umpawa , Kosawang Chatchai , Jørgensen Hans Jørgen Lyngs
Published: July 2024

Sheath rot and dirty panicle are some of the major diseases of rice in Thailand. The diseases are traditionally considered to be caused by the pathogen Sarocladium oryzae and damage and lower both the quantity and quality of rice grain. In this study, 32 fungal isolates collected from the central and northeastern regions of Thailand were analysed phylogenetically using three molecular markers (ITS, D1/D2 of 28S rDNA and ACT) and physiological races were determined on 10 differential rice cultivars. We found that S. oryzae is not the only causal agent of sheath rot in Thailand, but S. attenuatum was also found. Despite having similar morphological features, the phylogenetic analysis recognised 11 of 32 isolates as S. attenuatum and the remaining isolates as S. oryzae. This is the first report of S. attenuatum causing sheath rot of rice in Thailand in addition to S. oryzae. Evaluation of physiological races revealed high pathogenic diversity of the two species. Thus, 16 and 11 physiological races were recorded from 21 isolates of S. oryzae and 11 isolates of S. attenuatum, respectively. These results indicate that both S. oryzae and S. attenuatum are the causal agents of rice sheath rot and dirty panicle in Thailand and that they are pathologically diverse.
Analyzing the Losses and Gains of a Land Category: Insights from the Total Operating Characteristic
Authors: Bilintoh Thomas Mumuni , Pontius Robert Gilmore , Liu Zhen
Published: July 2024

This manuscript provides guidance concerning how to use the Total Operating Characteristic (TOC) when (1) analyzing change through time, (2) ranking a categorical independent variable, and (3) constraining the extent for a gaining category. The illustrative variable is the marsh land-cover category in the Plum Island Ecosystems of northeastern Massachusetts, USA. The data are an elevation map and maps showing the land categories of water, marsh, and upland in 1938, 1971, and 2013. There were losses and gains near the edge of the marsh between 1938 and 1972 and between 1972 and 2013. The TOC curves show that marsh gained most intensively at intermediate elevations during the first time interval and then had a weaker association with elevation during the second time interval. Marsh gains more intensively from water than from upland during both time intervals. The TOC curves also demonstrate that the marsh gains occurred where marsh was previously lost, a phenomenon called Alternation. Furthermore, eliminating far distances and extreme elevations from the spatial extent decreased the area under the curve (AUC) for distance and increased the AUC for elevation. We invite scientists to use the TOC because the TOC is easier to interpret and shows more information than the Relative Operative Characteristic.
Correction: Lee, J.-W.; Jun, J. The Future of Online Barrier-Free Open Space Cultural Experiences for People with Disabilities in the Post-COVID-19 Era. Land 2024, 13, 33
Authors: Lee Jin-Wook , Jun Jeenee
Published: July 2024

Addition of an Author and Affiliation [...]
Stability Analysis of the Secondary Motion of a Textured Piston
Authors: Cohen Igal , Tresser Shachar , Goltsberg Roman
Published: July 2024

Piston–cylinder pairs are very common in industrial mechanisms. While a piston is primarily designed for axial reciprocating motion, the occurrence of secondary motions—lateral and rotational—due to the small clearance between the piston and the cylinder may lead to frictional contact, energy loss, wear and an increase in unwanted leakage. This study focuses on mitigating the secondary motion of a ringless piston. The influence of a Rayleigh step bearing and partial surface texturing with numerous micro-dimples on the dynamic stability of the secondary motion is studied. A linear model was used to obtain the trajectory of the secondary motion and Floquet theory was applied to analyze the stability and draw stability maps. The influence of various texturing and step parameters, including the dimple area density and aspect ratio for partial texturing, as well as the length and depth of treatment for both partial texturing and step profiles, on the stability of the secondary motion was examined. The normalization method is presented, enabling the expansion of the results for various operating conditions and geometries. Conclusions and guidelines regarding the optimal parameters, in terms of a wider stability range and higher decay rate, are formulated.
On the Optimization of Robot Machining: A Simulation-Based Process Planning Approach
Authors: Souflas Thanassis , Gerontas Christos , Bikas Harry , Stavropoulos Panagiotis
Published: July 2024

The use of industrial robots for machining operations is pursued by industry lately, since they can increase the flexibility of the production system and reduce production costs. However, their industrial adoption is still limited, mainly due to their insufficient structural stiffness and posture-dependent dynamic behavior, leading to limited machining process accuracy. For this purpose, the Digital-Model of a machining robot has been developed, providing a tool for virtual commissioning of the process that can be used during the process planning stage. The Multi-Body Simulation method combined with a Component Mode Synthesis have been adopted, considering flexibility of both the joints and links. On top of that, and motivated from robotic-based machining systems’ flexibility and versatility, two optimization algorithms have been developed, attempting to increase the process accuracy. A workpiece placement optimization algorithm, attempting to maximize the robot stiffness during the process acquiring knowledge from the robot stiffness maps, and a feed-rate scheduling algorithm, attempting to constrain the contour error by regulating the generated cutting forces. The capabilities and functionality of the developed model and optimization algorithms are showcased in two different case studies, with the results proving the improvements on the process accuracy after the application of the optimization algorithms. Finally, an experimental validation of the Digital-Model has been performed, to confirm the consistency between model outputs and real experimental data.
The Formation of a Low-Carbon Steel/Ni-Cr-W Alloy Bimetallic Material via Liquid–Solid Compound Casting with a Laser Assisted Solid Surface
Authors: Salii Serhii , Golovko Leonid , Kaglyak Oleksii , Kapustynskyi Oleksandr , Višniakov Nikolaj
Published: July 2024

The aim of this study was to develop a new manufacturing process for bimetallic materials by combining laser treatment with traditional casting methods. This process involves laser-treating nickel alloy-grade UNS 6230 plates to create a regular macro-relief on their surface. These treated plates are then placed in a sand mold, and molten non-alloy steel (S235JRG2) is poured into the mold to create bimetallic layered castings. The experimental procedure focuses on optimizing the melt-to-solid phase ratios and pouring temperatures to achieve a uniform microstructure and strong mechanical properties in the bimetals. The produced bimetallic castings are suitable for applications in the oil refining and chemical industries and heavy machinery sector. The quantitative results indicate that the optimized process parameters lead to a high-quality transition zone with minimal defects, characterized by the diffusion of alloying elements from the nickel alloy to the steel. The microstructure, chemical, and phase compositions were evaluated using XRD and SEM with EDS, confirming the formation of a robust metallurgical bond. Key findings include a significant improvement in the hardness and strength of the transition layer, with the optimal pouring temperature being 1600 °C. The resulting bimetallic materials demonstrate an improved performance in demanding industrial environments.
A Secure Authentication Scheme with Local Differential Privacy in Edge Intelligence-Enabled VANET
Authors: Kwon Deokkyu , Son Seunghwan , Park Kisung , Park Youngho
Published: July 2024

Edge intelligence is a technology that integrates edge computing and artificial intelligence to achieve real-time and localized model generation. Thus, users can receive more precise and personalized services in vehicular ad hoc networks (VANETs) using edge intelligence. However, privacy and security challenges still exist, because sensitive data of the vehicle user is necessary for generating a high-accuracy AI model. In this paper, we propose an authentication scheme to preserve the privacy of user data in edge intelligence-enabled VANETs. The proposed scheme can establish a secure communication channel using fuzzy extractor, elliptic curve cryptography (ECC), and physical unclonable function (PUF) technology. The proposed data upload process can provide privacy of the data using local differential privacy and symmetric key encryption. We validate the security robustness of the proposed scheme using informal analysis, the Real-Or-Random (ROR) model, and the Scyther tool. Moreover, we evaluate the computation and communication efficiency of the proposed and related schemes using Multiprecision Integer and Rational Arithmetic Cryptographic Library (MIRACL) software development kit (SDK). We simulate the practical deployment of the proposed scheme using network simulator 3 (NS-3). Our results show that the proposed scheme has a performance improvement of 10∼48% compared to the state-of-the-art research. Thus, we can demonstrate that the proposed scheme provides comprehensive and secure communication for data management in edge intelligence-enabled VANET environments.
In Vitro Anti-HIV-1 Activity of Fucoidans from Brown Algae
Authors: Nosik Marina N. , Krylova Natalya V. , Usoltseva Roza V. , Surits Valerii V. , Kireev Dmitry E. , Shchelkanov Mikhail Yu. , Svitich Oxana A. , Ermakova Svetlana P.
Published: July 2024

Due to the developing resistance and intolerance to antiretroviral drugs, there is an urgent demand for alternative agents that can suppress the viral load in people living with human immunodeficiency virus (HIV). Recently, there has been increased interest in agents of marine origin such as, in particular, fucoidans to suppress HIV replication. In the present study, the anti-HIV-1 activity of fucoidans from the brown algae Alaria marginata, Alaria ochotensis, Laminaria longipes, Saccharina cichorioides, Saccharina gurianovae, and Tauya basicrassa was studied in vitro. The studied compounds were found to be able to inhibit HIV-1 replication at different stages of the virus life cycle. Herewith, all fucoidans exhibited significant antiviral activity by affecting the early stages of the virus–cell interaction. The fucoidan from Saccharina cichorioides showed the highest virus-inhibitory activity by blocking the virus’ attachment to and entry into the host’s cell, with a selectivity index (SI) > 160.
Atypical and Late-Developed Sinus Graft Complications Following Maxillary Sinus Augmentation: Successful Management with Guided Bone Regeneration
Authors: Park Won-Bae , Okany Kenechi P. , Park Wonhee , Han Ji-Young , Lim Hyun-Chang , Kang Philip
Published: July 2024

Complications that occur after maxillary sinus floor augmentation (MSA) can be divided into early and late complications. Early complication is a side effect that occurs during the MSA procedure or during the initial healing period. Usually, late complication refers to a side effect that occurs after 3 weeks of MSA. However, in the longer term, there are cases that occur during the follow-up period after the prosthesis is delivered, and most of them present with peri-implantitis. In the present two cases, sinus graft complications occurred 1–2 years after prosthesis delivery but were independent of peri-implantitis and had atypical features showing asymptomatic results. Although the route of the infection source is unclear, the lesions were presumed to be caused by slow and delayed inflammation of oral bacteria infiltrating the bone graft area of the maxillary sinus. Within the limitations of present case reports, bone defects were successfully managed with a guided bone regeneration (GBR) procedure that included thorough defect degranulation, surface decontamination of exposed implant, and regrafting. Periodic monitoring of radiographic images is required for the detection of unusual sinus graft complications in sinus-augmented sites.
Deciphering Mechanisms, Prevention Strategies, Management Plans, Medications, and Research Techniques for Strokes in Systemic Lupus Erythematosus
Authors: Al-Ewaidat Ola A. , Naffaa Moawiah M.
Published: July 2024

Systemic lupus erythematosus (SLE) is an autoimmune rheumatic condition characterized by an unpredictable course and a wide spectrum of manifestations varying in severity. Individuals with SLE are at an increased risk of cerebrovascular events, particularly strokes. These strokes manifest with a diverse range of symptoms that cannot be solely attributed to conventional risk factors, underscoring their significance among the atypical risk factors in the context of SLE. This complexity complicates the identification of optimal management plans and the selection of medication combinations for individual patients. This susceptibility is further complicated by the nuances of neuropsychiatric SLE, which reveals a diverse array of neurological symptoms, particularly those associated with ischemic and hemorrhagic strokes. Given the broad range of clinical presentations and associated risks linking strokes to SLE, ongoing research and comprehensive care strategies are essential. These efforts are critical for improving patient outcomes by optimizing management strategies and discovering new medications. This review aims to elucidate the pathological connection between SLE and strokes by examining neurological manifestations, risk factors, mechanisms, prediction and prevention strategies, management plans, and available research tools and animal models. It seeks to explore this medical correlation and discover new medication options that can be tailored to individual SLE patients at risk of stroke.
Metabolic Deficits in the Retina of a Familial Dysautonomia Mouse Model
Authors: Costello Stephanann M. , Schultz Anastasia , Smith Donald , Horan Danielle , Chaverra Martha , Tripet Brian , George Lynn , Bothner Brian , Lefcort Frances , Copié Valérie
Published: July 2024

Neurodegenerative retinal diseases such as glaucoma, diabetic retinopathy, Leber’s hereditary optic neuropathy (LHON), and dominant optic atrophy (DOA) are marked by progressive death of retinal ganglion cells (RGC). This decline is promoted by structural and functional mitochondrial deficits, including electron transport chain (ETC) impairments, increased oxidative stress, and reduced energy (ATP) production. These cellular mechanisms associated with progressive optic nerve atrophy have been similarly observed in familial dysautonomia (FD) patients, who experience gradual loss of visual acuity due to the degeneration of RGCs, which is thought to be caused by a breakdown of mitochondrial structures, and a disruption in ETC function. Retinal metabolism plays a crucial role in meeting the elevated energetic demands of this tissue, and recent characterizations of FD patients’ serum and stool metabolomes have indicated alterations in central metabolic processes and potential systemic deficits of taurine, a small molecule essential for retina and overall eye health. The present study sought to elucidate metabolic alterations that contribute to the progressive degeneration of RGCs observed in FD. Additionally, a critical subpopulation of retinal interneurons, the dopaminergic amacrine cells, mediate the integration and modulation of visual information in a time-dependent manner to RGCs. As these cells have been associated with RGC loss in the neurodegenerative disease Parkinson’s, which shares hallmarks with FD, a targeted analysis of the dopaminergic amacrine cells and their product, dopamine, was also undertaken. One dimensional (1D) proton (1H) nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and retinal histology methods were employed to characterize retinae from the retina-specific Elp1 conditional knockout (CKO) FD mouse model (Pax6-Cre; Elp1LoxP/LoxP). Metabolite alterations correlated temporally with progressive RGC degeneration and were associated with reduced mitochondrial function, alterations in ATP production through the Cahill and mini-Krebs cycles, and phospholipid metabolism. Dopaminergic amacrine cell populations were reduced at timepoints P30–P90, and dopamine levels were 25–35% lower in CKO retinae compared to control retinae at P60. Overall, this study has expanded upon our current understanding of retina pathology in FD. This knowledge may apply to other retinal diseases that share hallmark features with FD and may help guide new avenues for novel non-invasive therapeutics to mitigate the progressive optic neuropathy in FD.
The Impact of Gestational Diabetes Mellitus (GDM) on the Development and Composition of the Neonatal Gut Microbiota: A Systematic Review
Authors: Sokou Rozeta , Moschari Eirini , Palioura Alexia Eleftheria , Palioura Aikaterini-Pothiti , Mpakosi Alexandra , Adamakidou Theodoula , Vlachou Eugenia , Theodoraki Martha , Iacovidou Nicoletta , Tsartsalis Athanasios N.
Published: July 2024

Gestational diabetes mellitus (GDM) is an important health issue, as it is connected with adverse effects to the mother as well as the fetus. A factor of essence for the pathology of this disorder is the gut microbiota, which seems to have an impact on the development and course of GDM. The role of the gut microbiota on maternal reproductive health and all the changes that happen during pregnancy as well as during the neonatal period is of high interest. The correct establishment and maturation of the gut microbiota is of high importance for the development of basic biological systems. The aim of this study is to provide a systematic review of the literature on the effect of GDM on the gut microbiota of neonates, as well as possible links to morbidity and mortality of neonates born to mothers with GDM. Systematic research took place in databases including PubMed and Scopus until June 2024. Data that involved demographics, methodology, and changes to the microbiota were derived and divided based on patients with exposure to or with GDM. The research conducted on online databases revealed 316 studies, of which only 16 met all the criteria and were included in this review. Research from the studies showed great heterogeneity and varying findings at the level of changes in α and β diversity and enrichment or depletion in phylum, gene, species, and operational taxonomic units in the neonatal gut microbiota of infants born to mothers with GDM. The ways in which the microbiota of neonates and infants are altered due to GDM remain largely unclear and require further investigation. Future studies are needed to explore and clarify these mechanisms.
vB_CacS-HV1 as a Novel Pahexavirus Bacteriophage with Lytic and Anti-Biofilm Potential against Cutibacterium acnes
Authors: Li Xu , Ding Wenyan , Li Zicheng , Yan Yi , Tong Yigang , Xu Jialiang , Li Mengzhe
Published: July 2024

Acne vulgaris is a prevalent chronic inflammatory skin disease, most common in adolescence and often persisting into adulthood, leading to severe physical and psychological impacts. The primary etiological factor is Cutibacterium acnes infection. The overuse of antibiotics for acne treatment over recent decades has led to the emergence of antibiotic-resistant Cutibacterium acnes strains. In this study, we isolated and characterized a novel bacteriophage, vB_CacS-HV1, from saliva samples. The average nucleotide identity analysis indicated that vB_CacS-HV1 is a new species within the Pahexavirus genus, enhancing our understanding of this underexplored group. vB_CacS-HV1 demonstrates favorable stability, lacks potentially harmful genetic elements (virulence factors, antibiotic resistance genes, transposons, and integrases), and exhibits potent lytic and anti-biofilm activities against Cutibacterium acnes at low concentrations. These advantages highlight vB_CacS-HV1’s potential as a promising antibacterial agent that could possibly be complementary to antibiotics or other treatments for acne therapy.
Design of Fragrance Formulations with Antiviral Activity Using Bayesian Optimization
Authors: Zhang Fan , Hirama Yui , Onishi Shintaro , Mori Takuya , Ono Naoaki , Kanaya Shigehiko
Published: July 2024

In case of future viral threats, including the proposed Disease X that has been discussed since the emergence of the COVID-19 pandemic in March 2020, our research has focused on the development of antiviral strategies using fragrance compounds with known antiviral activity. Despite the recognized antiviral properties of mixtures of certain fragrance compounds, there has been a lack of a systematic approach to optimize these mixtures. Confronted with the significant combinatorial challenge and the complexity of the compound formulation space, we employed Bayesian optimization, guided by Gaussian Process Regression (GPR), to systematically explore and identify formulations with demonstrable antiviral efficacy. This approach required the transformation of the characteristics of formulations into quantifiable feature values using molecular descriptors, subsequently modeling these data to predict and propose formulations with likely antiviral efficacy enhancements. The predicted formulations underwent experimental testing, resulting in the identification of combinations capable of inactivating 99.99% of viruses, including a notably efficacious formulation of five distinct fragrance types. This model demonstrates high predictive accuracy (coefficient determination Rcv2 > 0.7) and suggests a new frontier in antiviral strategy development. Our findings indicate the powerful potential of computational modeling to surpass human analytical capabilities in the pursuit of complex, fragrance-based antiviral formulations.
Microbial Diversity of Soil in a Mediterranean Biodiversity Hotspot: Parque Nacional La Campana, Chile
Authors: Quinteros-Urquieta Carolina , Francois Jean-Pierre , Aguilar-Muñoz Polette , Orellana Roberto , Villaseñor Rodrigo , Moreira-Muñoz Andres , Molina Verónica
Published: July 2024

Parque Nacional La Campana (PNLC) is recognized worldwide for its flora and fauna, rather than for its microbial richness. Our goal was to characterize the structure and composition of microbial communities (bacteria, archaea and fungi) and their relationship with the plant communities typical of PNLC, such as sclerophyllous forest, xerophytic shrubland, hygrophilous forest and dry sclerophyllous forest, distributed along topoclimatic variables, namely, exposure, elevation and slope. The plant ecosystems, the physical and chemical properties of organic matter and the soil microbial composition were characterized by massive sequencing (iTag-16S rRNA, V4 and ITS1-5F) from the DNA extracted from the soil surface (5 cm, n = 16). A contribution of environmental variables, particularly related to each location, is observed. Proteobacteria (35.43%), Actinobacteria (32.86%), Acidobacteria (10.07%), Ascomycota (76.11%) and Basidiomycota (15.62%) were the dominant phyla. The beta diversity (~80% in its axes) indicates that bacteria and archaea are linked to their plant categories, where the xerophytic shrub stands out with the most particular microbial community. More specifically, Crenarchaeote, Humicola and Mortierella were dominant in the sclerophyllous forest; Chloroflexi, Cyanobacteria and Alternaria in the xerophytic shrubland; Solicoccozyma in the dry sclerophyllous forest; and Cladophialophora in the hygrophilous forest. In conclusion, the structure and composition of the microbial consortia is characteristic of PNLC’s vegetation, related to its topoclimatic variables, which suggests a strong association within the soil microbiome.
How Do Polyphenol-Rich Foods Prevent Oxidative Stress and Maintain Gut Health?
Authors: Jawhara Samir
Published: July 2024

Inflammatory bowel disease (IBD), which includes Crohn’s disease and ulcerative colitis, involves chronic inflammatory disorders of the digestive tract. Oxidative stress, associated with increased reactive oxygen species generation, is a major risk factor for IBD pathogenesis. Industrialized lifestyles expose us to a variety of factors that contribute to deteriorating gut health, especially for IBD patients. Many alternative therapeutic strategies have been developed against oxidative stress along with conventional therapy to alleviate IBD pathogenesis. Polyphenol-rich foods have attracted growing interest from scientists due to their antioxidant properties. Polyphenols are natural compounds found in plants, fruits, vegetables, and nuts that exhibit antioxidant properties and protect the body from oxidative damage. This review presents an overview of polyphenol benefits and describes the different types of polyphenols. It also discusses polyphenols’ role in inhibiting oxidative stress and fungal growth prevention. Overall, this review highlights how a healthy and balanced diet and avoiding the industrialized lifestyles of our modern society can minimize oxidative stress damage and protect against pathogen infections. It also highlights how polyphenol-rich foods play an important role in protecting against oxidative stress and fungal growth.
Characteristics and Deep Mineralization Prediction of the Langmuri Copper–Nickel Sulfide Deposit in the Eastern Kunlun Orogenic Belt, China
Authors: Ma Cai , Li Baochun , Li Jie , Wang Peng , Dong Ji’en , Cui Zhaoyu , Yang Shunlong
Published: July 2024

The discovery of a Cu-Ni sulfide deposit in Langmuri of the Eastern Kunlun Orogenic Belt holds significant geological implications. This study, based on the examination of the metallogenic geological body, metallogenic structure, and metallogenic process characteristics, suggests that the deposit is a magmatic Cu-Ni sulfide deposit formed in the collision of orogenic and post-extension processes of the Late Ordovician. The early mineralization of the deposit was primarily derived from the differentiation of sulfides in the mafic–ultramafic rock (450–439 Ma) of the Late Ordovician, while the late-stage mineralization underwent significant superimposed modification by the magmatic–hydrothermal activity of crustal-contaminated biotite granite (415 Ma). In addition, this article analyzes the measurements of the geochemical studies of sediments, and the magnetic and gravity measurements carried out in the area, focusing on the geochemical and geophysical anomaly characteristics in the study area, and selects favorable exploration areas, which have been confirmed to have multiple mineral bodies. By integrating comprehensive gravity, magnetic, induced polarization, and audio-frequency magnetotelluric profile measurements, this study analyzes delineated mineralized zones and the deep extensions of surface mineral bodies to assess deep mineralization potential and identify deep ore-finding targets. It suggests that diverse and scattered mafic–ultramafic complexes in the Langmuri mining area have a large-scale distribution of ore-bearing rocks in the deep. Through the analysis and inverse of the geophysical data, a deep mineralization predictive model was established in the basic–ultrabasic rock mass. The study presents prospects for the delineation of the deep-seated mineralization in the Langmuri deposit.
Reply to Yin, J. Comment on “Zhang et al. New Age Constraints of the Bilong Co Oil Shale in the Qiangtang Basin, Northern Tibet: Evidence from In Situ U–Pb Dating and Palaeontology. Minerals 2024, 14, 246”
Authors: Zhang Haowei , Wang Jian , Mansour Ahmed , Zhang Jianyong , Wei Hengye , Fu Xiugen , Shen Lijun , Xiong Shaoyun , Ahmed Mohamed S. , Gentzis Thomas , Mu Lin
Published: July 2024

The comment by Yin (2024) referred to the systematic morphology and identification of the newly recovered in situ ammonite assemblage Tiltoniceras sp. and Hildoceratidae sp. from the Bilong Co section in the Qiangtang Basin. Yin (2024) suggests that Tiltoniceras sp. should be assigned to Oxycerites aspidoides. Upon re-examination of our paper and the reply to the released comment, it is demonstrated that the morphologic characteristics of the recovered ammonites are more consistent with Tiltoniceras rather than Oxycerites aspidoides. These ammonites, along with in situ calcite U–Pb age (ca. 181 Ma), carbon isotope stratigraphy, and age-diagnostic palynomorphs, constrain the age of the Bilong Co oil shale to the Lower Jurassic (Toarcian) with plausible credentials.
Copper, Zinc, and Lead Recovery from Jarosite Pb–Ag Tailings Waste (Part 2)
Authors: Conić Vesna , Janošević Miloš , Božić Dragana S. , Avramović Ljiljana , Jovanović Ivana , Bugarin Dejan M. , Đorđievski Stefan
Published: July 2024

The present paper describes the technological solution for obtaining Cu, Zn, Pb, and Ag from jarosite waste raw material, with its simultaneous separation from In and Fe. By roasting at low temperatures, iron was transformed from the Fe2(SO4)3 form into Fe2O3, which is insoluble in water and slightly soluble in acid. Copper sulfate and zinc sulfate are present in jarosite as sulfates. During temperature roasting, the copper and zinc were still in the form of CuSO4 and ZnSO4, i.e., they were easily dissolved in water. This procedure led to good selectivity of Cu and Zn compared to Fe. After water leaching, PbSO4 and Ag2SO4 remained in the solid residue. By treating jarosite with a content of 0.7% Cu, 5.39% Zn, and 5.68% Pb, products of commercial quality were obtained. By roasting jarosite in an electric furnace and leaching the roasted sample in water, leaching degrees of 91.07%, 91.97%, and 9.60% were obtained for Cu, Zn, and Fe, respectively. Using 1 M NaOH in the leaching solution, 99.93% Fe was precipitated to pH = 4. Cu in the form of CuSO4 was further treated by cementation with Zn, after which cement copper was obtained as a commercial product. Zn in the form of ZnSO4 was further treated by precipitation with Na2CO3 to obtain ZnCO3 concentrate of commercial grade. The total recovery of Pb and Ag, which were treated by chloride leaching, was 96.05% and 87.5%, respectively. The resulting NaPbCl3 solution was further treated with Na2CO3 solution, whereby PbCO3 was obtained as a commercial product. The produced PbCO3 could be further subjected to roasting to obtain soluble PbO. In these investigations, PbCO3 was smelted where a Pb anode was obtained; this was electrolytically refined to a Pb cathode. The proposed process does not pollute the environment with As and Cd.
Identify Regioselective Residues of Ginsenoside Hydrolases by Graph-Based Active Learning from Molecular Dynamics
Authors: Li Yi , Peng Hong-Qian , Wen Meng-Liang , Yang Li-Quan
Published: July 2024

Identifying the catalytic regioselectivity of enzymes remains a challenge. Compared to experimental trial-and-error approaches, computational methods like molecular dynamics simulations provide valuable insights into enzyme characteristics. However, the massive data generated by these simulations hinder the extraction of knowledge about enzyme catalytic mechanisms without adequate modeling techniques. Here, we propose a computational framework utilizing graph-based active learning from molecular dynamics to identify the regioselectivity of ginsenoside hydrolases (GHs), which selectively catalyze C6 or C20 positions to obtain rare deglycosylated bioactive compounds from Panax plants. Experimental results reveal that the dynamic-aware graph model can excellently distinguish GH regioselectivity with accuracy as high as 96–98% even when different enzyme–substrate systems exhibit similar dynamic behaviors. The active learning strategy equips our model to work robustly while reducing the reliance on dynamic data, indicating its capacity to mine sufficient knowledge from short multi-replica simulations. Moreover, the model’s interpretability identified crucial residues and features associated with regioselectivity. Our findings contribute to the understanding of GH catalytic mechanisms and provide direct assistance for rational design to improve regioselectivity. We presented a general computational framework for modeling enzyme catalytic specificity from simulation data, paving the way for further integration of experimental and computational approaches in enzyme optimization and design.
Incorporation of an Isohexide Subunit into the Endochin-like Quinolone Scaffold
Authors: Senkina Julia , Knapp Spencer
Published: July 2024

In order to improve the drug-likeness qualities, the antimalarial endochin-like quinolone (ELQ) scaffold has been modified by replacing the 4-(trifluoromethoxy)phenyl portion with an isoidide unit that is further adjustable by varying the distal O-substituents. As expected, the water solubilities of the new analogs are greatly improved, and the melting points are lower. However, the antimalarial potency of the new analogs is reduced to EC50 > 1 millimolar, a result ascribable to the hydrophilic nature of the new substitution.
Assessment of Selected Chemical and Morphological Properties of Lonicera var. kamtschatica and Lonicera var. emphyllocalyx Treated with Gaseous Ozone
Authors: Basara Oskar , Gorzelany Józef
Published: July 2024

Lonicera caerulea L. fruits are a rich source of vitamins, organic acids, and phenolic compounds, which are characterised by their health-promoting properties. The content of bioactive compounds in this fruit may vary depending on the cultivar and the harvest date. This study analysed the effect of applying 5 ppm gaseous ozone for 1, 3, and 5 min on the chemical properties of L. kamtschatica varieties and newly created clones of L. emphyllocalyx for three years of cultivation. The fruits harvested from L. emphyllocalyx, depending on the year of harvest, had significantly larger size and weight compared to L. kamtschatica. On average, the acidity of the L. emphyllocalyx clones was 6% higher than other tested varieties. The average content of ascorbic acid was highest in L. emphyllocalyx clone ‘21-17’—57.80 mg·100 g−1; the year of harvest will significantly affect the content of vitamin C, reaching the highest level in 2022—53.92 mg·100 g−1. The total content of polyphenols was significantly dependent on the year of cultivation; reaching, on average, 54.8% more in 2022 compared to the rest of the years. The total antioxidant value using the FRAP, DPPH, and ABTS methods varied depending on the variety; exposure to ozone significantly increased the antioxidant value in each case. On the basis of the study, both botanical varieties can be used in food processing. Gaseous ozone exposure can significantly influence chemical composition, increasing the health-promoting value of fruit.
The Salt-Induced Diffusiophoresis of Nonionic Micelles—Does the Salt-Induced Growth of Micelles Influence Diffusiophoresis?
Authors: Annunziata Onofrio
Published: July 2024

Salt-induced diffusiophoresis is the migration of a colloidal particle in water due to a directional salt concentration gradient. An important example of colloidal particles is represented by micelles, generated by surfactant self-assembly in water. For non-ionic surfactants containing polyethylene glycol (PEG) groups, PEG preferential hydration at the micelle–water interface is expected to drive micelle diffusiophoresis from high to low salt concentration. However, micelles are reversible supramolecular assemblies, with salts being able to promote a significant change in micelle size. This phenomenon complicates the description of diffusiophoresis. Specifically, it is not clear to what extent the salt-induced growth of micelles affects micelle diffusiophoresis. In this paper, a multiple-equilibrium model is developed for assessing the contribution of the micelle growth and preferential hydration mechanisms to the diffusiophoresis of non-ionic micelles. The available experimental data characterizing the effect of NaCl on Triton X-100 aggregation number are combined with data on diffusiophoresis and the preferential hydration of PEG chains to show that the contribution of the micelle growth mechanism to overall diffusiophoresis is small compared to that of preferential hydration.
Regulating Drug Release Performance of Acid-Triggered Dimeric Prodrug-Based Drug Self-Delivery System by Altering Its Aggregation Structure
Authors: Yang Chen , Liu Peng
Published: July 2024

Dimeric prodrugs have been investigated intensely as carrier-free drug self-delivery systems (DSDSs) in recent decades, and their stimuli-responsive drug release has usually been controlled by the conjugations between the drug molecules, including the stimuli (pH or redox) and responsive sensitivity. Here, an acid-triggered dimeric prodrug of doxorubicin (DOX) was synthesized by conjugating two DOX molecules with an acid-labile ketal linker. It possessed high drug content near the pure drug, while the premature drug leakage in blood circulation was efficiently suppressed. Furthermore, its aggregation structures were controlled by fabricating nanomedicines via different approaches, such as fast precipitation and slow self-assembly, to regulate the drug release performance. Such findings are expected to enable better anti-tumor efficacy with the desired drug release rate, beyond the molecular structure of the dimeric prodrug.
Halogenated Analogs to Natural A-Type Proanthocyanidins: Evaluation of Their Antioxidant and Antimicrobial Properties and Possible Application in Food Industries
Authors: Cobo Antonio , Alejo-Armijo Alfonso , Cruz Daniel , Altarejos Joaquín , Salido Sofía , Ortega-Morente Elena
Published: July 2024

A description of new antimicrobial agents suitable for food industries has become necessary, and natural compounds are being considered as promising sources of new active derivatives to be used with the aim of improving food safety. We have previously described desirable antimicrobial and antibiofilm activities against foodborne bacteria by analogs to A-type proanthocyanidins (PACs) with a nitro (NO2) group at carbon 6 of the A-ring. We report herein the synthesis of eight additional analogs with chloro and bromo atoms at the A-ring and the systematic study of their antimicrobial and antioxidant activities in order to evaluate their possible application as biocides or food preservatives, as well as to elucidate new structure–activity relationships. The results from this study show that halogenated analogs to natural A-type proanthocyanidins rise above the nitro derivatives previously reported in their antimicrobial activities. Gram-positive bacteria are the most sensitive to all the analogs and combinations assayed, showing MICs from 10 to 50 μg/mL in most cases, as well as reductions in biofilm formation and the disruption of preformed biofilms of at least 75%. Some structure–activity relationships previously described have also been corroborated. Analogs with just one OH group at the B-ring show better antimicrobial activities than those with two OH groups, and those analogs with two or three OH groups in the whole structure are more active than those with four OH groups. In addition, the analogs with two OH groups at the B-ring and chloro at the A-ring are the most effective when antibiofilm activities are studied, especially at low concentrations.
Advancing Metallic Lithium Anodes: A Review of Interface Design, Electrolyte Innovation, and Performance Enhancement Strategies
Authors: Shi Junwei , Jiang Kailin , Fan Yameng , Zhao Lingfei , Cheng Zhenxiang , Yu Peng , Peng Jian , Wan Min
Published: July 2024

Lithium (Li) metal is one of the most promising anode materials for next-generation, high-energy, Li-based batteries due to its exceptionally high specific capacity and low reduction potential. Nonetheless, intrinsic challenges such as detrimental interfacial reactions, significant volume expansion, and dendritic growth present considerable obstacles to its practical application. This review comprehensively summarizes various recent strategies for the modification and protection of metallic lithium anodes, offering insight into the latest advancements in electrode enhancement, electrolyte innovation, and interfacial design, as well as theoretical simulations related to the above. One notable trend is the optimization of electrolytes to suppress dendrite formation and enhance the stability of the electrode–electrolyte interface. This has been achieved through the development of new electrolytes with higher ionic conductivity and better compatibility with Li metal. Furthermore, significant progress has been made in the design and synthesis of novel Li metal composite anodes. These composite anodes, incorporating various additives such as polymers, ceramic particles, and carbon nanotubes, exhibit improved cycling stability and safety compared to pure Li metal. Research has used simulation computing, machine learning, and other methods to achieve electrochemical mechanics modeling and multi-field simulation in order to analyze and predict non-uniform lithium deposition processes and control factors. In-depth investigations into the electrochemical reactions, interfacial chemistry, and physical properties of these electrodes have provided valuable insights into their design and optimization. It systematically encapsulates the state-of-the-art developments in anode protection and delineates prospective trajectories for the technology’s industrial evolution. This review aims to provide a detailed overview of the latest strategies for enhancing metallic lithium anodes in lithium-ion batteries, addressing the primary challenges and suggesting future directions for industrial advancement.
Immunomodulatory, Antioxidant, and Potential Anticancer Activity of the Polysaccharides of the Fungus Fomitiporia chilensis
Authors: Abdala-Díaz Roberto T. , Casas-Arrojo Virginia , Castro-Varela Pablo , Riquelme Cristian , Carrillo Paloma , Medina Miguel Ángel , Cárdenas Casimiro , Becerra José , Pérez Manríquez Claudia
Published: July 2024

Fomitiporia species have aroused the interest of numerous investigations that reveal their biological activity and medicinal potential. The present investigation shows the antioxidant, anticancer, and immunomodulatory activity of acidic polysaccharides obtained from the fungus Fomitiporia chilensis. The acidic polysaccharides were obtained for acidic precipitation with 2% O-N-cetylpyridinium bromide. Chemical analysis was performed using FT-IR and GC-MS methods. The antioxidant capacity of acidic polysaccharides from F. chilensis was evaluated by scavenging free radicals with an ABTS assay. Macrophage proliferation and cytokine production assays were used to determine the immunomodulatory capacity of the polysaccharides. Anti-tumor and cytotoxicity activity was evaluated with an MTT assay in the U-937, HTC-116, and HGF-1 cell lines. The effect of polysaccharides on the cell cycle of the HCT-116 cell line was determined for flow cytometry. Fourier Transform-infrared characterization revealed characteristic absorption peaks for polysaccharides, whereas the GC-MS analysis detected three peaks corresponding to D-galactose, galacturonic acid, and D-glucose. The secreted TNF-α concentration was increased when the cell was treated with 2 mg mL−1 polysaccharides, whereas the IL-6 concentration was increased with all of the evaluated polysaccharide concentrations. A cell cycle analysis of HTC-116 treated with polysaccharides evidenced that the acidic polysaccharides from F. chilensis induce an increase in the G0/G1 cell cycle phase, increasing the apoptotic cell percentage. Results from a proteomic analysis suggest that some of the molecular mechanisms involved in their antioxidant and cellular detoxifying effects and justify their traditional use in heart diseases. Proteomic data are available through ProteomeXchange under identifier PXD048361. The study on acidic polysaccharides from F. chilensis has unveiled their diverse biological activities, including antioxidant, anticancer, and immunomodulatory effects. These findings underscore the promising therapeutic applications of acidic polysaccharides from F. chilensis, warranting further pharmaceutical and medicinal research exploration.
Surface Charge-Modulated Toxicity of Cysteine-Stabilized Silver Nanoparticles
Authors: Oćwieja Magdalena , Barbasz Anna , Wasilewska Monika , Smoleń Piotr , Duraczyńska Dorota , Napruszewska Bogna D. , Kozak Mikołaj , Węgrzynowicz Adam
Published: July 2024

The toxicity of silver nanoparticles (AgNPs) depends on their physicochemical properties. The ongoing research aims to develop effective methods for modifying AgNPs using molecules that enable control over the processes induced by nanoparticles in both normal and cancerous cells. Application of amino acid-stabilized nanoparticles appears promising, exhibiting tunable electrokinetic properties. Therefore, this study focused on determining the influence of the surface charge of cysteine (CYS)-stabilized AgNPs on their toxicity towards human normal B (COLO-720L) and T (HUT-78) lymphocyte cell lines. CYS-AgNPs were synthesized via the chemical reduction. Transmission electron microcopy (TEM) imaging revealed that they exhibited a quasi-spherical shape with an average size of 18 ± 3 nm. CYS-AgNPs remained stable under mild acidic (pH 4.0) and alkaline (7.4 and 9.0) conditions, with an isoelectric point observed at pH 5.1. Following a 24 h treatment of lymphocytes with CYS-AgNPs, concentration-dependent alterations in cell morphology were observed. Positively charged CYS-AgNPs notably decreased lymphocyte viability. Furthermore, they exhibited grater genotoxicity and more pronounced disruption of biological membranes compared to negatively charged CYZ-AgNPs. Despite both types of AgNPs interacting similarly with fetal bovine serum (FBS) and showing comparable profiles of silver ion release, the biological assays consistently revealed that the positively charged CYS-AgNPs exerted stronger effects at all investigated cellular levels. Although both types of CYS-AgNPs have the same chemical structure in their stabilizing layers, the pH-induced alterations in their surface charge significantly affect their biological activity.