bluuebunny/crossref_metadata_2025 huggingface dataset:
New Model and Finite Element Analysis of the Anti-Extrusion Strength of Backfill Drilling Pipelines
Authors: Li Hao , Wang Hongjiang , Liu Chunkang
Published: March 2024

Currently, in some domestic and foreign mines, the backfill drilling pipeline experiences a rupture phenomenon even when the wear degree is low. This results in a delay in production due to the filling becoming ‘sick’. This paper presents, for the first time, the damage mechanism from a mechanical perspective and re-derives the anti-extrusion strength model of the backfill drilling pipeline. We investigate the influence of the law on the anti-extrusion strength of pipelines from the perspective of strata and cement rings. We then verify the theoretical and simulation results through engineering examples. The results demonstrate that the Mises stress criterion is a suitable modification principle for the anti-extrusion strength model of the backfill drilling pipeline. The anti-extrusion strength of the pipeline is related to the elastic modulus and Poisson’s ratio of the stratum, and the thickness of the cement ring. It is negatively affected by the depth of the stratum. For hard strata, a cement ring with a smaller elastic modulus is suitable, while for soft stratum, a cement ring with a larger elastic modulus is recommended. When the missing angle of the cement ring is less than 60°, the stress concentration factor increases up to 2.2. The stress unloading capacity of the cement ring ranges from 32.7% to 37.8%, and optimal performance of the cement ring is achieved when it has high strength and low rigidity. The backfill filling pipeline of a copper mine abroad was destroyed due to external extrusion force exceeding its anti-extrusion strength value. The modified pipeline anti-extrusion strength model is 18.2% higher than the pipeline API strength value. This finding can inform the design of the backfill filling pipeline for China’s kilometer-deep wells in the future.
The Zircon U-Pb Age, Hf Isotopes, and Lithogeochemistry of Ore-Bearing Rocks from the Archean Hongtoushan Volcanogenic Massive Sulfide Deposit in the North China Craton: Implications for Tectonic Setting
Authors: You Xinwei , Wang Ende , Men Yekai , Fu Jianfei , Song Kun , Ma Sishun
Published: March 2024

Volcanogenic massive sulfide (VMS) deposits are globally significant sources of metals. The Hongtoushan VMS deposit is the only large Archean Cu-Zn VMS deposit in the North China Craton, carrying substantial economic value. Significant deformation and metamorphism have made the tectonic setting of the Hongtoushan VMS deposit the subject of extensive debate. This study investigates the petrogenesis and chronology of the ore-bearing host rocks from the Hongtoushan Cu-Zn VMS deposit in the North China Craton. By utilizing whole-rock geochemical analyses and zircon dating, this research sheds light on the origin and evolution of the ore-bearing rocks within the deposit. The whole-rock geochemical analysis data indicate that the Hongtoushan ore-bearing rock series is mainly composed of amphibole plagioclase gneiss (basalt protolith) and biotite plagioclase gneiss (andesite and rhyolite protolith), suggesting a complete volcanic cycle from basic to medium-acidic volcanic rocks. The amphibole plagioclase gneiss has slight LREE enrichment patterns with unremarkable depletions of Nb, Ta, and Ti and belongs to contaminated ocean plateau basalt (OPB) in terms of composition, which is generally interpreted as being generated from the mantle plume head. Meanwhile, the biotite plagioclase gneiss has relatively steep LREE enrichment distribution patterns with remarkable negative Ta, Nb, and Ti anomalies and a wide range of Zr/Y ratios, indicating their classification as FI- and FII-type felsic rocks; they were likely formed through the fractional crystallization of basic magma combined with crustal assimilation. When combined with the zircon dating results, the ore-bearing host rocks of the Hongtoushan VMS deposit were generated via a continuous magmatic evolution process. The zircon dating of the host rocks indicates a formation age of between 2609 and 2503 Ma, with metamorphic events between 2540 and 2466 Ma, which is consistent with the 2.5 Ga-related global mantle plume event. Further research shows that the ore-bearing host rocks are more likely to have been formed in a mantle plume-related stretching environment, possibly a margin rift.
Process Mineralogy of Lithium and Rubidium in the Diantan Polymetallic Mining Area, Tengchong, Southwest China
Authors: Ouyang Liming , Zhou Jianqi , Li Huan , Ghaderi Majid , Sun Wenbo , Xie Yiming , Li Xiaofan
Published: March 2024

Highly differentiated granite often contains abundant key metal resources, such as lithium and rubidium. The Tengchong area of Yunnan hosts a large number of highly differentiated granites from the Cretaceous age. Among these, granite samples from the Diantan tin–lead–zinc polymetallic mining area exhibit Li contents exceeding 0.02% and Rb contents surpassing 0.1%. This suggests a promising potential for Li and Rb mineralization. However, the occurrence status and process mineralogical characteristics of Li and Rb remain unclear, directly impacting the assessment of the region’s comprehensive utilization potential for these key metals. This study focuses on representative granite samples from the Diantan mining area to conduct petrographic and process mineralogical research, examining single mineral chemical composition, physical properties, element occurrence state, and mineral embedding particle size. The results indicate that mica minerals primarily contain Li, while both feldspar and mica minerals are the main carriers of Rb. Zinnwaldite not only contains the highest Rb proportion among the samples but also plays a significant role in Li occurrence. Based on the dissociation characteristics, it is recommended to grind the material to a fineness of −0.075 mm, comprising 80% of the particles, before proceeding to the final flotation process. This would result in approximately 95% dissociation of the mica in the sample. Since mica is predominantly distributed between quartz and feldspar particles, with relatively low binding force, it facilitates mineral dissociation during the grinding process. Therefore, the actual beneficiation process may consider a moderately coarser grinding fineness based on the aforementioned findings.
Data-Driven Classification and Logging Prediction of Mudrock Lithofacies Using Machine Learning: Shale Oil Reservoirs in the Eocene Shahejie Formation, Bonan Sag, Bohai Bay Basin, Eastern China
Authors: Chang Qiuhong , Ruan Zhuang , Yu Bingsong , Bai Chenyang , Fu Yanli , Hou Gaofeng
Published: March 2024

As the world’s energy demand continues to expand, shale oil has a substantial influence on the global energy reserves. The third submember of the Mbr 3 of the Shahejie Fm, characterized by complicated mudrock lithofacies, is one of the significant shale oil enrichment intervals of the Bohai Bay Basin. The classification and identification of lithofacies are key to shale oil exploration and development. However, the efficiency and reliability of lithofacies identification results can be compromised by qualitative classification resulting from an incomplete workflow. To address this issue, a comprehensive technical workflow for mudrock lithofacies classification and logging prediction was designed based on machine learning. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were conducted to realize the automatic classification of lithofacies, which can classify according to the internal relationship of the data without the disturbance of human factors and provide an accurate lithofacies result in a much shorter time. The PCA and HCA results showed that the third submember can be split into five lithofacies: massive argillaceous limestone lithofacies (MAL), laminated calcareous claystone lithofacies (LCC), intermittent lamellar argillaceous limestone lithofacies (ILAL), continuous lamellar argillaceous limestone lithofacies (CLAL), and laminated mixed shale lithofacies (LMS). Then, random forest (RF) was performed to establish the identification model for each of the lithofacies and the obtained model is optimized by grid search (GS) and K-fold cross validation (KCV), which could then be used to predict the lithofacies of the non-coring section, and the three validation methods showed that the accuracy of the GS–KCV–RF model were all above 93%. It is possible to further enhance the performance of the models by resampling, incorporating domain knowledge, and utilizing the mechanism of attention. Our method solves the problems of the subjective and time-consuming manual interpretation of lithofacies classification and the insufficient generalization ability of machine-learning methods in the previous works on lithofacies prediction research, and the accuracy of the model for mudrocks lithofacies prediction is also greatly improved. The lithofacies machine-learning workflow introduced in this study has the potential to be applied in the Bohai Bay Basin and comparable reservoirs to enhance exploration efficiency and reduce economic costs.
Acridine–Isoxazole and Acridine–Azirine Hybrids: Synthesis, Photochemical Transformations in the UV/Visible Radiation Boundary Region, and Anticancer Activity
Authors: Galenko Ekaterina E. , Novikov Mikhail S. , Bunev Alexander S. , Khlebnikov Alexander F.
Published: March 2024

Easy-to-handle N-hydroxyacridinecarbimidoyl chloride hydrochlorides were synthesized as convenient nitrile oxide precursors in the preparation of 3-(acridin-9/2-yl)isoxazole derivatives via 1,3-dipolar cycloaddition with terminal alkynes, 1,1-dichloroethene, and acrylonitrile. Azirines with an acridin-9/2-yl substituent attached directly or via the 1,2,3-triazole linker to the azirine C2 were also synthesized. The three-membered rings of the acridine–azirine hybrids were found to be resistant to irradiation in the UV/visible boundary region, despite their long-wave absorption at 320–420 nm, indicating that the acridine moiety cannot be used as an antenna to transfer light energy to generate nitrile ylides from azirines for photoclick cycloaddition. The acridine–isoxazole hybrids linked at the C9–C3 or C2–C3 atoms under blue light irradiation underwent the addition of such hydrogen donor solvents, such as, toluene, o-xylene, mesitylene, 4-chlorotoluene, THF, 1,4-dioxane, or methyl tert-butyl ether (MTBE), to the acridine system to give the corresponding 9-substituted acridanes in good yields. The synthesized acridine–azirine, acridine–isoxazole, and acridane–isoxazole hybrids exhibited cytotoxicity toward both all tested cancer cell lines (HCT 116, MCF7, and A704) and normal cells (WI-26 VA4).
Lipase-Catalyzed Preparation and Optimization of Structured Phosphatidylcholine Containing Nervonic Acid
Authors: Ang Xun , Chen Hong , Xiang Jiqian , Wei Fang , Quek Siew Young
Published: March 2024

This study investigated the incorporation of nervonic acid into the chemical structure of phosphatidylcholine via a lipase-catalyzed acidolysis reaction to obtain a functional phospholipid. Lipase immobilization was conducted, and Amberlite XAD7-HP was selected as a carrier to immobilize phospholipase A1 (PLA1) for subsequent experiments. The main acidolysis reaction parameters, including enzyme load, substrate ratio, temperature, and water content, were studied against the reaction time. The optimum reaction conditions obtained were enzyme load, 20%; reaction temperature, 55 °C; water content, 1%; and reaction time, 9 h. The maximum incorporation of nervonic acid into phosphatidylcholine was 48 mol%, with PC recovery at 61.6 mol%. The positional distribution of structured phosphatidylcholine shows that nervonic acid was found in the sn-1 position due to enzyme specificity and in the sn-2 position, possibly due to acyl migration.
Synergetic Effects of Aloe Vera Extract with Trimethylglycine for Targeted Aquaporin 3 Regulation and Long-Term Skin Hydration
Authors: Filatov Viktor , Sokolova Anna , Savitskaya Natalya , Olkhovskaya Mariya , Varava Andrey , Ilin Egor , Patronova Elizaveta
Published: March 2024

Aquaporin 3 (AQP3) channels are tetrameric membrane-bound channels that facilitate the transport of water and other small solutes across cell membranes in the skin. Decreased AQP3 expression is associated with skin dryness, skin aging, psoriasis, and delayed wound healing. Thus, our study focused on a novel combination based on Aloe barbadensis leaf extract and trimethylglycine for targeted AQP3 regulation in skin keratinocytes and deep skin moisturization. Firstly, a dose-finding cytotoxicity assay of the selected substances was performed with a 2,5-diphenyl-2H-tetrazolium bromide (MTT) indicator on HaCaT cells. The substances’ ability to increase the amount of AQP3 in keratinocytes was evaluated in a keratinocyte cell culture by means of ELISA. Additionally, the deep skin hydration effect was confirmed in clinical research with healthy volunteers. According to the results, the maximum tolerated doses providing viability at 70% (MTDs) values for Aloe barbadensis leaf extract and trimethylglycine were 24.50% and 39.00%, respectively. Following the research and development, a complex based on Aloe barbadensis leaf extract and trimethylglycine in a 1:1 mass ratio exhibited a good cytotoxicity profile, with an MTDs value of 37.90%. Furthermore, it was shown that the combination had a clear synergetic effect and significantly increased AQP3 by up to 380% compared to the negative control and glyceryl glucoside (p < 0.001). It was clinically confirmed that the developed shower gel containing Aloe barbadensis leaf extract and trimethylglycine safely improved skin hydration after one use and over 28 days. Thus, this novel plant-based combination has promising potential for AQP3 regulation in the skin epidermis and a role in the development of dermatological drugs for the treatment of skin xerosis and atopic-related conditions.
TDDFT Study on the ESIPT Properties of 2-(2′-Hydroxyphenyl)-Benzothiazole and Sensing Mechanism of a Derived Fluorescent Probe for Fluoride Ion
Authors: Wang Tingting , Lv Meiheng , Zhang Yuhang , Gao Yue , Cai Zexu , Zhang Yifan , Song Jiaqi , Liu Jianyong , Yin Hang , Shang Fangjian
Published: March 2024

The level of fluoride ions (F−) in the human body is closely related to various pathological and physiological states, and the rapid detection of F− is important for studying physiological processes and the early diagnosis of diseases. In this study, the detailed sensing mechanism of a novel high-efficiency probe (PBT) based on 2-(2′-hydroxyphenyl)-benzothiazole derivatives towards F− has been fully investigated based on density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods. F− attacks the O-P bond of PBT to cleavage the dimethylphosphinothionyl group, and the potential products were evaluated by Gibbs free energy and spectroscopic analyses, which ultimately identified the product as HBT-Enol1 with an intramolecular hydrogen bond. Bond parameters, infrared vibrational spectroscopy and charge analysis indicate that the hydrogen bond is enhanced at the excited state (S1), favoring excited state intramolecular proton transfer (ESIPT). The mild energy barrier further evidences the occurrence of ESIPT. Combined with frontier molecular orbital (FMO) analysis, the fluorescence quenching of PBT was attributed to the photoinduced electron transfer (PET) mechanism and the fluorescence turn-on mechanism of the product was attributed to the ESIPT process of HBT-Enol1.
A Metabolomics Study of the Effects of Eleutheroside B on Glucose and Lipid Metabolism in a Zebrafish Diabetes Model
Authors: Dong Xuelian , Chen Qiang , Chi Wenyan , Qiu Zhidong , Qiu Ye
Published: March 2024

(1) Background: Diabetes is a common metabolic disease that seriously endangers human health. In the present study, we investigated the therapeutic effects of the active ingredient Eleutheroside B (EB) from the traditional Chinese medicine Eleutheroside on diabetes mellitus in a zebrafish model. Concomitant hepatic injury was also analysed, along with the study of possible molecular mechanisms using metabolomics technology. This work should provide some theoretical references for future experimental studies. (2) Methods: A zebrafish diabetes model was constructed by soaking in a 1.75% glucose solution and feeding a high-fat diet. The intervention drug groups were metformin (100 μg∙mL−1) and EB (50, 100, and 150 μg∙mL−1) via water-soluble exposure for 30 days. Glucose, TG, TC, LDL-C, and HDL-C were evaluated in different treatment groups. GLUT4 protein expression was also evaluated in each group, and liver injury was observed by HE staining. Metabolomics techniques were used to investigate the mechanism by which EB regulates endogenous markers and metabolic pathways during the development of diabetes. (3) Results: All EB treatment groups in diabetic zebrafish showed significantly reduced body mass index (BMI) and improved blood glucose and lipid profiles. EB was found to upregulate GLUT4 protein expression and ameliorate the liver injury caused by diabetes. Metabolomics studies showed that EB causes changes in the metabolic profile of diabetic zebrafish. These were related to the regulation of purine metabolism, cytochrome P450, caffeine metabolism, arginine and proline metabolism, the mTOR signalling pathway, insulin resistance, and glycerophospholipid metabolism. (4) Conclusions: EB has a hypoglycaemic effect in diabetic zebrafish as well as significantly improving disorders of glycolipid metabolism. The mechanism of action of EB may involve regulation of the mTOR signalling pathway, purine metabolism, caffeine metabolism, and glycerophospholipid metabolism.
Channel Expansion in the Ligand-Binding Domain of the Glucocorticoid Receptor Contributes to the Activity of Highly Potent Glucocorticoid Analogues
Authors: Seaton Wesley B. , Burke Susan J. , Fisch Alexander R. , Schilletter William A. , Beck Mary Grace A. , Cassagne Gabrielle A. , Harvey Innocence , Fontenot Molly S. , Collier J. Jason , Campagna Shawn R.
Published: March 2024

Glucocorticoids (GCs) act through the glucocorticoid receptor (GR) and are commonly used as anti-inflammatory and immunosuppressant medications. Chronic GC use has been linked with unwanted complications such as steroid-induced diabetes mellitus (SIDM), although the mechanisms for these effects are not completely understood. Modification of six GC parent molecules with 2-mercaptobenzothiazole resulted in consistently less promoter activity in transcriptional activation assays using a 3xGRE reporter construct while constantly reducing inflammatory pathway activity. The most selective candidate, DX1, demonstrated a significant reduction (87%) in transactivation compared to commercially available dexamethasone. DX1 also maintained 90% of the anti-inflammatory potential of dexamethasone while simultaneously displaying a reduced toxicity profile. Additionally, two novel and highly potent compounds, DX4 and PN4, were developed and shown to elicit similar mRNA expression at attomolar concentrations that dexamethasone exhibits at nanomolar dosages. To further explain these results, Molecular Dynamic (MD) simulations were performed to examine structural changes in the ligand-binding domain of the glucocorticoid receptor in response to docking with the top ligands. Differing interactions with the transcriptional activation function 2 (AF-2) region of the GR may be responsible for lower transactivation capacity in DX1. DX4 and PN4 lose contact with Arg611 due to a key interaction changing from a stronger hydrophilic to a weaker hydrophobic one, which leads to the formation of an unoccupied channel at the location of the deacylcortivazol (DAC)-expanded binding pocket. These findings provide insights into the structure–function relationships important for regulating anti-inflammatory activity, which has implications for clinical utility.
Chemometric Analysis Evidencing the Variability in the Composition of Essential Oils in 10 Salvia Species from Different Taxonomic Sections or Phylogenetic Clades
Authors: Tomou Ekaterina-Michaela , Fraskou Panagiota , Dimakopoulou Konstantina , Dariotis Eleftherios , Krigas Nikos , Skaltsa Helen
Published: March 2024

Essential oil (EO) of Salvia spp. has been widely used for culinary purposes and in perfumery and cosmetics, as well as having beneficial effects on human health. The present study aimed to investigate the quantitative and qualitative variations in EOs in wild-growing and cultivated pairs of samples from members in four Salvia sections or three clades, namely S. argentea L. (Sect. Aethiopis; Clade I-C), S. ringens Sm. (Sect. Eusphace; Clade I-D), S. verticillata L. (Sect. Hemisphace; Clade I-B), S. amplexicaulis Lam., and S. pratensis L. (Sect. Plethiosphace; Clade I-C). Furthermore, the natural variability in EO composition due to different genotypes adapted in different geographical and environmental conditions was examined by employing members of three Salvia sections or two phylogenetic clades, namely S. sclarea L. (six samples; Sect. Aethiopis or Clade I-C), S. ringens (three samples; Sect. Eusphace or Clade I-D), and S. amplexicaulis (five samples; Sect. Plethiosphace or Clade I-C). We also investigated the EO composition of four wild-growing species of two Salvia sections, i.e., S. aethiopis L., S. candidissima Vahl, and S. teddii of Sect. Aethiopis, as well as the cultivated material of S. virgata Jacq. (Sect. Plethiosphace), all belonging to Clade I-C. The EO composition of the Greek endemic S. teddii is presented herein only for the first time. Taken together, the findings of previous studies are summarized and critically discussed with the obtained results. Chemometric analysis (PCA, HCA, and clustered heat map) was used to identify the sample relationships based on their chemical classes, resulting in the classification of two distinct groups. These can be further explored in assistance of classical or modern taxonomic Salvia studies.
Temperature Dependence of the Number of Defect-Structures in Poly(vinylidene fluoride)
Authors: Schwaderer Jan , Drache Marco , Beuermann Sabine
Published: March 2024

Poly(vinylidene fluoride) (PVDF) is predominantly characterized by alternating CH2 and CF2 units in a polymer backbone, originating from the head-to-tail addition of monomers or regular propagation. Due, to a small extent, to inverse monomer addition, so-called defect structures occur which influence the macroscopic properties of PVDF significantly. The amount of defect structures in the material is determined by the polymerization conditions. Here, the temperature dependence of the fraction of defect structures in PVDF obtained from polymerizations between 45 and 90 °C is reported. We utilized 19F-NMR spectroscopy to determine the fraction of defect structures as a function of temperature. To derive kinetic data, the polymerization of VDF is considered a quasi-copolymerization described by the Terminal Model involving four different propagation reactions. Based on the experimentally determined temperature-dependent fractions of defect structures, the known overall propagation rate coefficient, and taking into account the self-healing behavior of the macroradical, the Arrhenius parameters of the individual propagation rate coefficients were determined using the Monte Carlo methods.
Streptococcus thermophilus: A Source of Postbiotics Displaying Anti-Inflammatory Effects in THP 1 Macrophages
Authors: Allouche Rania , Hafeez Zeeshan , Dary-Mourot Annie , Genay Magali , Miclo Laurent
Published: March 2024

In addition to traditional use in fermented dairy products, S. thermophilus also exhibits anti-inflammatory properties both in live and heat-inactivated form. Recent studies have highlighted that some hydrolysates from surface proteins of S. thermophilus could be responsible partially for overall anti-inflammatory activity of this bacterium. It was hypothesized that anti-inflammatory activity could also be attributed to peptides resulting from the digestion of intracellular proteins of S. thermophilus. Therefore, total intracellular proteins (TIP) from two phenotypically different strains, LMD-9 and CNRZ-21N, were recovered by sonication followed by ammonium sulphate precipitation. The molecular masses of the TIP of both strains were very close to each other as observed by SDS-PAGE. The TIP were fractionated by size exclusion fast protein liquid chromatography to obtain a 3–10 kDa intracellular protein (IP) fraction, which was then hydrolysed with pancreatic enzyme preparation, Corolase PP. The hydrolysed IP fraction from each strain exhibited anti-inflammatory activity by modulating pro-inflammatory mediators, particularly IL-1β in LPS-stimulated THP-1 macrophages. However, a decrease in IL-8 secretion was only observed with hydrolysed IP fraction from CNRZ-21N, indicating that strain could be an important parameter in obtaining active hydrolysates. Results showed that peptides from the 3–10 kDa IP fraction of S. thermophilus could therefore be considered as postbiotics with potential beneficial effects on human health. Thus, it can be used as a promising bioactive ingredient for the development of functional foods to prevent low-grade inflammation.
Stabilizing BiVO4 Photoanode in Bicarbonate Electrolyte for Efficient Photoelectrocatalytic Alcohol Oxidation
Authors: Gong Haorui , An Sai , Qin Weilong , Kuang Yongbo , Liu Deyu
Published: March 2024

In order to expand the application of bismuth vanadate (BiVO4) to the field of photoelectrochemistry, researchers have explored the potential of BiVO4 in catalyzing or degrading organic substances, potentially presenting a green and eco-friendly solution. A study was conducted to investigate the impact of electrolytes on the photocatalysis of benzyl alcohol by BiVO4. The research discovered that, in an acetonitrile electrolyte (pH 9) with sodium bicarbonate, BiVO4 catalyzed benzyl alcohol by introducing saturated V5+. This innovation addressed the issue of benzyl alcohol being susceptible to catalysis in an alkaline setting, as V5+ was prone to dissolution in pH 9 on BiVO4. The concern of the photocorrosion of BiVO4 was mitigated through two approaches. Firstly, the incorporation of a non-aqueous medium inhibited the formation of active material intermediates, reducing the susceptibility of the electrode surface to photocorrosion. Secondly, the presence of saturated V5+ further deterred the leaching of V5+. Concurrently, the production of carbonate radicals by bicarbonate played a vital role in catalyzing benzyl alcohol. The results show that, in this system, BiVO4 has the potential to oxidize benzyl alcohol by photocatalysis.
Study on the Antitumor Mechanism of Tanshinone IIA In Vivo and In Vitro through the Regulation of PERK-ATF4-HSPA5 Pathway-Mediated Ferroptosis
Authors: Guo Chunxiang , Zhao Wei , Wang Wei , Yao Zheng , Chen Wenhui , Feng Xiaoyi
Published: March 2024

As a traditional Chinese medicine, Salvia miltiorrhiza Bunge was first recorded in the Shennong Materia Medica Classic and is widely used to treat “the accumulation of symptoms and masses”. The main active ingredient of Salvia miltiorrhiza Bunge, Tanshinone IIA (TIIA), has shown anti-inflammatory, antitumor, antifibrosis, antibacterial, and antioxidative activities, etc. In this study, the results showed that TIIA could inhibit the proliferation and migration of HepG2 cells and downregulate glutathione (GSH) and Glutathione Peroxidase 4 (GPX4) levels; besides, TIIA induced the production of Reactive Oxygen Species (ROS), and upregulated the total iron content. Based on network pharmacology analysis, the antitumor effect of TIIA was found to be focused on the endoplasmic reticulum (ER)-mediated ferroptosis signaling pathway, with protein kinase R (PKR)-like ER kinase (PERK)-activating transcription factor 4 (ATF4)-heat shock 70 kDa protein 5 (HSPA5) as the main pathway. Herein, TIIA showed typical ferroptosis characteristics, and a ferroptosis inhibitor (ferrostatin-1) was used to verify the effect. The antitumor effects of TIIA, occurring through the inhibition of the PERK-ATF4-HSPA5 pathway, were further observed in vivo as significantly inhibited tumor growth and the improved pathological morphology of tumor tissue in H22-bearing mice. In summary, the antitumor mechanism of TIIA might be related to the downregulation of the activation of PERK-ATF4-HSPA5 pathway-mediated ferroptosis.
Synthesis and Reduction Processes of Silver Nanowires in a Silver(I) Sulfamate–Poly (Vinylpyrrolidone) Hydrothermal System
Authors: Ying Yongling , Zheng Rongbo , Zheng Yongjun , Wang Hongyan , Niu Junfeng , Xia Housheng
Published: March 2024

Silver (Ag) nanowires, as an important one-dimensional (1D) nanomaterial, have garnered wide attention, owing to their applications in electronics, optoelectronics, sensors, and other fields. In this study, an alternative hydrothermal route was developed to synthesize Ag nanowires via modified reduction of Ag+. Silver sulfamate plays an important role in the formation of Ag nanowires via controlled release of free Ag+. Results of controlled experiments and characterizations such as UV–vis spectroscopy, FTIR, XPS, and 1H NMR revealed that sulfamic acid does not function as a reductant, supporting by the generation of free Ag+ instead of Ag nanostructures in hydrothermally treated silver sulfamate solution. The initial reduction of Ag+ was induced by the combination of poly (vinylpyrrolidone) (PVP) end group and degradation products. This phenomenon was supported by abundant free Ag+ in the mixed preheated silver sulfamatic and preheated PVP aqueous solutions, indicating a second and distinct Ag+ autocatalytic reduction. Thus, the roles of different reagents and Ag+ reduction must be studied for nanomaterial syntheses.
Antioxidant Activity of Humulus lupulus Phenolic Hop Extracts in Creating a New Pâté: An Element Affecting Fat Stability and Microbiological Quality during Storage
Authors: Bilska Agnieszka , Kobus-Cisowska Joanna , Wojtczak Janusz , Kowalski Ryszard , Kaczmarek Ewelina
Published: March 2024

The aim of this study was to evaluate the effect of hop extracts on changes in the primary and secondary fat oxidation products, physicochemical properties, and microbiological quality of pâté-type offal sausages obtained through the partial replacement of animal fat with vegetable fat. This study demonstrated that the extraction efficiency varied among hop cone varieties, with the highest efficiency observed for the Lubelski variety and the lowest for the Magnum variety. The phenolic compound content was higher in the Magnum cones (2.74 ± 0.11 mg/g dry matter) compared to the Lubelska cones (2.27 ± 0.05 mg/g of product). Additionally, the DPPH radical scavenging activity was greater in the extract from the Magnum cones (4.21 ± 0.09 mg TE/g d.w.) than in the extract from the Lublelski cones (3.87 ± 0.05 mg TE/ g d.w.). Similarly, the extracts from the Lubelski cones exhibited a higher antiradical activity against the ABTS radical compared to the extract from Magnum cones. Throughout storage, a significant increase in the pH value was observed in the control sample and in the samples with a 20% replacement of animal fat with rapeseed oil and Magnum hop extract. However, the addition of Lubelski hop extract resulted in a decrease in the pH value during the 15-day storage period. The samples with a 20% replacement of animal fat with rapeseed oil and 0.1% Lubelski hop extract showed the least changes in water activity during storage. The samples with a 20% replacement of animal fat with rapeseed oil and the addition of 0.2% Lubelski hop extract had the lowest peroxide value and TBARS index throughout the storage period. The addition of hop extract inhibited the growth of the total number of microorganisms in the tested sausages. In the samples with a 20% replacement of animal fat with rapeseed oil, the content of aerobic microorganisms, compared to the control sample, was statistically significantly lower.
Recovery of Cembratrien-Diols from Waste Tobacco (Nicotiana tabacum L.) Flowers by Microwave-Assisted Deep Eutectic Solvent Extraction: Optimization, Separation, and In Vitro Bioactivity
Authors: Yu Tao , Yang Long , Shang Xianchao , Bian Shiquan
Published: March 2024

Deep eutectic solvents (DESs) are novel solvents with physicochemical properties similar to those of ionic liquids, and they have attracted extensive attention for the extraction of bioactive compounds from different plant materials in the context of green chemistry and sustainable development. In this study, seven DESs with different polarities were explored as green extraction solvents for cembratrien-diols (CBT-diols) from waste tobacco flowers. The best solvent, DES-3 (choline chloride: lactic acid (1:3)), which outperformed conventional solvents (methanol, ethanol, and ethyl acetate), was selected and further optimized for microwave-assisted DES extraction using the response surface methodology. The maximum yield of CBT-diols (6.23 ± 0.15 mg/g) was achieved using a microwave power of 425 W, microwave time of 32 min, solid/liquid ratio of 20 mg/mL, and microwave temperature of 40 °C. Additionally, the isolated CBT-diols exhibited strong antimicrobial activity against Salmonella, Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Pseudomonas aeruginosa and antitumor activity in the human liver cancer HepG2 and SMMC-7721 cell lines. This study highlights the feasibility of recovering CBT-diols from tobacco flower waste using DESs and provides opportunities for potential waste management using green technologies.
4-[(E)-2-(1-Pyrenyl)Vinyl]Pyridine Complexes: How to Modulate the Toxicity of Heavy Metal Ions to Target Microbial Infections
Authors: Schwarte Justine V. , Crochet Aurélien , Fromm Katharina M.
Published: March 2024

Pyrene derivatives are regularly proposed for use in biochemistry as dyes due to their photochemical characteristics. Their antibacterial properties are, however, much less well understood. New complexes based on 4-[(E)-2-(1-pyrenyl)vinyl]pyridine (PyPe) have been synthesized with metal ions that are known to possess antimicrobial properties, such as zinc(II), cadmium(II), and mercury(II). The metal ion salts, free ligand, combinations thereof, and the coordination compounds themselves were tested for their antibacterial properties through microdilution assays. We found that the ligand is able to modulate the antibacterial properties of transition metal ions, depending on the complex stability, the distance between the ligand and the metal ions, and the metal ions themselves. The coordination by the ligand weakened the antibacterial properties of heavy metal ions (Cd(II), Hg(II), Bi(III)), allowing the bacteria to survive higher concentrations thereof. Mixing the ligand and the metal ion salts without forming the complex beforehand enhanced the antibacterial properties of the cations. Being non-cytotoxic itself, the ligand therefore balances the biological consequences of heavy metal ions between toxicity and therapeutic weapons, depending on its use as a coordinating ligand or simple adjuvant.
Atomistic Insights into the Influence of High Concentration H2O2/H2O on Al Nanoparticles Combustion: ReaxFF Molecules Dynamics Simulation
Authors: Yu Xindong , Zhang Pengtu , Zhang Heng , Yuan Shiling
Published: March 2024

The combination of Al nanoparticles (ANPs) as fuel and H2O2 as oxidizer is a potential green space propellant. In this research, reactive force field molecular dynamics (ReaxFF-MD) simulations were used to study the influence of water addition on the combustion of Al/H2O2. The MD results showed that as the percentage of H2O increased from 0 to 30%, the number of Al-O bonds on the ANPs decreased, the number of Al-H bonds increased, and the adiabatic flame temperature of the system decreased from 4612 K to 4380 K. Since the Al-O bond is more stable, as the simulation proceeds, the number of Al-O bonds will be significantly higher than that of Al-H and Al-OH bonds, and the Al oxides (Al[O]x) will be transformed from low to high coordination. Subsequently, the combustion mechanism of the Al/H2O2/H2O system was elaborated from an atomic perspective. Both H2O2 and H2O were adsorbed and chemically activated on the surface of ANPs, resulting in molecular decomposition into free radicals, which were then captured by ANPs. H2 molecules could be released from the ANPs, while O2 could not be released through this pathway. Finally, it was found that the coverage of the oxide layer reduced the rate of H2O2 consumption and H2 production significantly, simultaneously preventing the deformation of the Al clusters’ morphology.
Improvement in Electrochemical Performance of Waste Sugarcane Bagasse-Derived Carbon via Hybridization with SiO2 Nanospheres
Authors: Alwi Muhammad Mudassir Ahmad , Singh Jyoti , Choudhury Arup , Hossain SK Safdar , Butt Akbar Niaz
Published: March 2024

Sugar industries generate substantial quantities of waste biomass after the extraction of sugar water from sugarcane stems, while biomass-derived porous carbon has currently received huge research attention for its sustainable application in energy storage systems. Hence, we have investigated waste sugarcane bagasse (WSB) as a cheap and potential source of porous carbon for supercapacitors. The electrochemical capacitive performance of WSB-derived carbon was further enhanced through hybridization with silicon dioxide (SiO2) as a cost-effective pseudocapacitance material. Porous WSB-C/SiO2 nanocomposites were prepared via the in situ pyrolysis of tetraethyl orthosilicate (TEOS)-modified WSB biomass. The morphological analysis confirms the pyrolytic growth of SiO2 nanospheres on WSB-C. The electrochemical performance of WSB-C/SiO2 nanocomposites was optimized by varying the SiO2 content, using two different electrolytes. The capacitance of activated WSB-C was remarkably enhanced upon hybridization with SiO2, while the nanocomposite electrode demonstrated superior specific capacitance in 6 M KOH electrolyte compared to neutral Na2SO4 electrolyte. A maximum specific capacitance of 362.3 F/g at 0.25 A/g was achieved for the WSB-C/SiO2 105 nanocomposite. The capacitance retention was slightly lower in nanocomposite electrodes (91.7–86.9%) than in pure WSB-C (97.4%) but still satisfactory. A symmetric WSB-C/SiO2 105//WSB-C/SiO2 105 supercapacitor was fabricated and achieved an energy density of 50.3 Wh kg−1 at a power density of 250 W kg−1, which is substantially higher than the WSB-C//WSB-C supercapacitor (22.1 Wh kg−1).
A Red-Emission Fluorescent Probe for Intracellular Biothiols and Hydrogen Sulfide Imaging in Living Cells
Authors: Wang Yuanfan , Zhang Shengxiang , Liu Tianle , Chen Junning , Yuan Bingrui , Lu Cuntao , Bo Xiumei , Xu Zhou
Published: March 2024

This research centers on the development and synthesis of a longwave fluorescence probe, labeled as 60T, designed for the simultaneous detection of hydrogen sulfide, cysteine/homocysteine, and glutathione. The probe showcases a swift response, good linearity range, and heightened sensitivity, boasting that the detection limits of the probe for Cys, Hcy, GSH and H2S were 0.140, 0.202, 0.259 and 0.396 μM, respectively. Notably, its efficacy in monitoring thiol status changes in live MCF-7 cells is underscored by a substantial decrease in fluorescence intensity upon exposure to the thiol trapping reagent, N-ethyl maleimide (NEM). With an impressive red emission signal at 630 nm and a substantial Stokes shift of 80 nm, this probe exhibits remarkable sensitivity and selectivity for biothiols and H2S, indicating promising applications in the diagnosis and surgical navigation of relevant cancers.
Gentiopicrin-Loaded Chitosan Nanoparticles as a Topical Agent for the Treatment of Psoriasis
Authors: Cheng Guohua , Zhang Xiaojie , Zhang Huiling , Feng Zhixuan , Cai Jiaxiu , Li Jingjing , Du Libo , Liu Ke
Published: March 2024

Psoriasis, a chronic inflammatory skin disease induced by various factors, including genetic factors, immune factors, environmental factors, and psychological factors, is characterized by thickening of the epidermis, excessive proliferation of keratinocytes, abnormal differentiation, and an excessive inflammatory response. Traditional treatments for psoriasis still face challenges because of limited curative effects, notable side effects, and a tendency for recurrence. In contrast, topical therapy provides a favorable option for psoriasis treatment because of its noninvasive and self-administered method. In this study, gentiopicrin (Gen) is encapsulated in the liposomes to form a nanodrug, and then chitosan is covered on the nanodrug to assemble the nanodrug delivery system (CS@Gen), which is used as a topical agent for treating psoriasis. Then M5 (a mixture of five pro-inflammatory cytokines, i.e., IL-17A, IL-22, IL-1α, oncostatin M, and TNF-α)-induced HacaT cells and imiquimod-induced psoriasis mouse models are established, whose results show that CS@Gen induces apoptosis and inhibits the proliferation and cell migration of psoriasis keratinocytes. Additionally, the application of CS@Gen cream can significantly reduce epidermal thickness, diminish skin scaling, and improve other related mechanisms in mice affected by psoriasis. Meanwhile, the prepared CS@Gen can significantly reduce the expression levels of IL-17a, Cxcl2, S100a, Mki67, and other related inflammatory factors, resulting in indirectly inhibiting the inflammation of keratinocytes. In summary, the present study provides an ideal loading for an anti-inflammatory and immunomodulatory drug delivery system for the treatment of psoriasis.
Effects of the ZrO2 Crystalline Phase and Morphology on the Thermocatalytic Decomposition of Dimethyl Methylphosphonate
Authors: Wang Xuwei , Sun Peng , Zhao Ziwang , Liu Yimeng , Zhou Shuyuan , Yang Piaoping , Dong Yanchun
Published: March 2024

Thermocatalytic decomposition is an efficient purification technology that is potentially applicable to degrading chemical warfare agents and industrial toxic gases. In particular, ZrO2 has attracted attention as a catalyst for the thermocatalytic decomposition of dimethyl methylphosphonate (DMMP), which is a simulant of the nerve gas sarin. However, the influence of the crystal phase and morphology on the catalytic performance of ZrO2 requires further exploration. In this study, monoclinic- and tetragonal-phase ZrO2 (m- and t-ZrO2, respectively) with nanoparticle, flower-like shape and hollow microsphere morphologies were prepared via hydrothermal and solvothermal methods, and their thermocatalytic decomposition of DMMP was systematically investigated. For a given morphology, m-ZrO2 performed better than t-ZrO2. For a given crystalline phase, the morphology of hollow microspheres resulted in the longest protection time. The exhaust gases generated by the thermocatalytic decomposition of DMMP mainly comprised H2, CO2, H2O and CH3OH, and the by-products were phosphorus oxide species. Thus, the deactivation of ZrO2 was attributed to the deposition of these phosphorous oxide species on the catalyst surface. These results are expected to help guide the development of catalysts for the safe disposal of chemical warfare agents.
First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor
Authors: He Lan , Lang Shuai , Zhang Wei , Song Shun , Lyu Juan , Gong Jian
Published: March 2024

Two-dimensional (2D) materials have received significant attention for their potential use in next-generation electronics, particularly in nonvolatile memory and neuromorphic computing. This is due to their simple metal–insulator–metal (MIM) sandwiched structure, excellent switching performance, high-density capability, and low power consumption. In this work, using comprehensive material simulations and device modeling, the thinnest monolayer hexagonal boron nitride (h-BN) atomristor is studied by using a MIM configuration with Ta electrodes. Our first-principles calculations predicted both a high resistance state (HRS) and a low resistance state (LRS) in this device. We observed that the presence of van der Waals (vdW) gaps between the Ta electrodes and monolayer h-BN with a boron vacancy (VB) contributes to the HRS. The combination of metal electrode contact and the adsorption of Ta atoms onto a single VB defect (TaB) can alter the interface barrier between the electrode and dielectric layer, as well as create band gap states within the band gap of monolayer h-BN. These band gap states can shorten the effective tunneling path for electron transport from the left electrode to the right electrode, resulting in an increase in the current transmission coefficient of the LRS. This resistive switching mechanism in monolayer h-BN atomristors can serve as a theoretical reference for device design and optimization, making them promising for the development of atomristor technology with ultra-high integration density and ultra-low power consumption.
Functions of RNAi Pathways in Ribosomal RNA Regulation
Authors: Shatskikh Aleksei S. , Fefelova Elena A. , Klenov Mikhail S.
Published: March 2024

Argonaute proteins, guided by small RNAs, play crucial roles in gene regulation and genome protection through RNA interference (RNAi)-related mechanisms. Ribosomal RNAs (rRNAs), encoded by repeated rDNA units, constitute the core of the ribosome being the most abundant cellular transcripts. rDNA clusters also serve as sources of small RNAs, which are loaded into Argonaute proteins and are able to regulate rDNA itself or affect other gene targets. In this review, we consider the impact of small RNA pathways, specifically siRNAs and piRNAs, on rRNA gene regulation. Data from diverse eukaryotic organisms suggest the potential involvement of small RNAs in various molecular processes related to the rDNA transcription and rRNA fate. Endogenous siRNAs are integral to the chromatin-based silencing of rDNA loci in plants and have been shown to repress rDNA transcription in animals. Small RNAs also play a role in maintaining the integrity of rDNA clusters and may function in the cellular response to rDNA damage. Studies on the impact of RNAi and small RNAs on rRNA provide vast opportunities for future exploration.
Minerals and the Menstrual Cycle: Impacts on Ovulation and Endometrial Health
Authors: Kapper Celine , Oppelt Peter , Ganhör Clara , Gyunesh Ayberk Alp , Arbeithuber Barbara , Stelzl Patrick , Rezk-Füreder Marlene
Published: March 2024

The role of minerals in female fertility, particularly in relation to the menstrual cycle, presents a complex area of study that underscores the interplay between nutrition and reproductive health. This narrative review aims to elucidate the impacts of minerals on key aspects of the reproductive system: hormonal regulation, ovarian function and ovulation, endometrial health, and oxidative stress. Despite the attention given to specific micronutrients in relation to reproductive disorders, there is a noticeable absence of a comprehensive review focusing on the impact of minerals throughout the menstrual cycle on female fertility. This narrative review aims to address this gap by examining the influence of minerals on reproductive health. Each mineral’s contribution is explored in detail to provide a clearer picture of its importance in supporting female fertility. This comprehensive analysis not only enhances our knowledge of reproductive health but also offers clinicians valuable insights into potential therapeutic strategies and the recommended intake of minerals to promote female reproductive well-being, considering the menstrual cycle. This review stands as the first to offer such a detailed examination of minerals in the context of the menstrual cycle, aiming to elevate the understanding of their critical role in female fertility and reproductive health.