bluuebunny/crossref_metadata_2025 huggingface dataset:
Process Development for Batch Production of Micro-Milling Tools Made of Silicon Carbide by Means of the Dry Etching Process
Authors: Wittek Christian-G. R. , Steinhoff Lukas , Raumel Selina , Reißfelder Michael , Dencker Folke , Wurz Marc C.
Published: February 2023

Downsized and complex micro-machining structures have to meet quality requirements concerning geometry and convince through increasing functionality. The development and use of cutting tools in the sub-millimeter range can meet these demands and contribute to the production of intelligent components in biomedical technology, optics or electronics. This article addresses the development of double-edged micro-cutters, which consist of a two-part system of cutter head and shaft. The cutting diameters are between 50 and 200 μm. The silicon carbide cutting heads are manufactured from the solid material using microsystem technology. The substrate used can be structured uniformly via photolithography, which means that 5200 homogeneous micro-milling heads can be produced simultaneously. This novel batch approach represents a contrast to conventionally manufactured micro-milling cutters. The imprint is taken by means of reactive ion etching using a mask made of electroplated nickel. Within this dry etching process, characteristic values such as the etch rate and flank angle of the structures are critical and will be compared in a parameter analysis. At optimal parameters, an anisotropy factor of 0.8 and an etching rate of 0.34 µm/min of the silicon carbide are generated. Finally, the milling heads are diced and joined. In the final machining tests, the functionality is investigated and any signs of wear are evaluated. A tool life of 1500 mm in various materials could be achieved. This and the milling quality achieved are in the range of conventional micro-milling cutters, which gives a positive outlook for further development.
Increase of Glycoalkaloid Content in Potato Tubers by Greening as a Method to Reduce the Spread of Pectobacterium and Dickeya spp. in Seed Production Systems
Authors: Sołtys-Kalina Dorota , Grupa-Urbańska Anna , Lebecka Renata , Tallant Maud , Kellenberger Isabelle , Dupuis Brice
Published: February 2023

Dickeya and Pectobacterium species are the causal agents of blackleg and soft rot diseases. This article explores the possibility of using the glycoalkaloids (GAs) naturally produced by the potato tuber after the greening process as a blackleg control method. We first tested the effect of GAs extracted from four potato cultivars on the growth and viability of one Dickeya and one Pectobacterium strain in growth media. Then, four years of field experiments were performed in which the incidence of blackleg was assessed in plants grown from the seed tubers of cv. Agria that were subjected to various greening treatments. In the growth media, all GAs isolated from the four cultivars appeared to be bacteriostatic and bactericidal against both bacteria strains. The inhibitory effect varied among GAs from different cultivars. Except for a one-year field trial, the blackleg incidence was lower in plants grown from green seed tubers without the yield being affected. The blackleg control was marginal, probably due to the low production of GAs by the tubers of cv. Agria after greening. Based on our findings, seed tuber greening has a good potential for blackleg control after the identification of varieties that present optimal GA composition after greening.
Effects of Static Pressure on Failure Modes and Degree of Fracturing of Sandstone Subjected to Inter-Hole Pulsed High-Voltage Discharge
Authors: Peng Jianyu , Xu Hongpeng , Zhang Fengpeng , Wang Haonan , Li Jiaqiang
Published: February 2023

This research aims to explore the fracturing behaviors of sandstone subjected to pulsed high-voltage discharge (PHVD) under different static pressures. An experimental method of rock fracturing induced by inter-hole PHVD was proposed. The static pressure was applied to the specimens, then the proposed method was applied to induce electrical breakdown testing under static loading. The microscopic fracture morphology of the sandstone was observed. The influences of the direction and level of static pressure on the crack length and fractal dimension of sandstone under the effect of PHVD were discussed. The results indicated that in the absence of static pressure, there are a discharge channel and multiple radial cracks in the sandstone after electric breakdown. The microscopic analysis implies that rock failure in the zone around the discharge channel is mainly influenced by the high temperature; while radial cracks are induced by shock waves. When static pressure is vertical to the discharge channel, tensile and compressive stresses concentrate in different parts around the discharge channel, which can remarkably alter the distribution zone and propagation path of cracks. In addition, the fractal dimension and total length of cracks first decrease, then increase with increasing static pressure. When static pressure is parallel to the discharge channel, the distribution characteristics and propagation direction of cracks are unchanged; however, under this loading mode, circularly distributed hoop tensile strains are generated at the zone around the discharge channel, which enables the fractal dimension and crack length increase with increasing static pressure.
Imputation of Gold Recovery Data from Low Grade Gold Ore Using Artificial Neural Network
Authors: Costa Fabrizzio Rodrigues , Carneiro Cleyton de Carvalho , Ulsen Carina
Published: February 2023

In a multivariate database, the missing data can be obtained through several imputation techniques, which are particularly useful for data that are difficult to obtain, for any reason, or have high uncertainties or scarce variables. A Self-Organizing Maps (SOM) neural network is an effective tool for the analysis of multidimensional data applied for the imputation of data. In this paper, data from drilling were used for training, testing, and validation using the variables: total Au recovery (%), which means gold recovery from a gravity concentration plus hydrometallurgical process, Au (g/t), As (ppm), S (%), Al2O3 (%), CaO (%), K2O (%), and MgO (%). After training, the partial omission of Au content and recovery was carried out, from 10% to 50%, to evaluate the data imputation performance for those variables. The results imputed by the SOM were compared with the original data values and evaluated according to descriptive statistics; the results indicated a determination coefficient of 85% when 50% of the data were omitted and 93% when 10% of the data were omitted. Once demonstrated, the correlation between the original data and SOM imputation analysis can help geologists and metallurgists to obtain results with a high degree of reliability of metallurgical recovery through related chemical variables, making it possible to implement SOM analysis as a powerful tool to input analytical data. One of the practical applications of the proposed model is to produce a pattern of imputed data that can be a good alternative in the construction or generation of a synthetic geometallurgical database with missing data.
GC-MS Analysis of the Essential Oil from Seseli mairei H. Wolff (Apiaceae) Roots and Their Nematicidal Activity
Authors: Shi Shengli , Zhang Xinsha , Liu Xianbin , Chen Zhen , Tang Hewen , Hu Dongbao , Li Hongmei
Published: February 2023

The essential oil (EO) was extracted from aerial parts with insecticidal and fungicidal activity. Herein, the hydro-distilled essential oils of Seseli mairei H. Wolff roots were determined by GC-MS. A total of 37 components were identified, (E)-beta-caryophyllene (10.49%), β-geranylgeranyl (6.64%), (E)-2-decenal (6.17%) and germacrene-D (4.28%). The essential oil of Seseli mairei H. Wolff had nematicidal toxicity against Bursaphelenchus xylophilus with a LC50 value of 53.45 μg/mL. The subsequent bioassay-guided investigation led to the isolation of three active constituents: falcarinol, (E)-2-decenal, and octanoic acid. The falcarinol demonstrated the strongest toxicity against B. Xylophilus (LC50 = 8.52 μg/mL). The octanoic acid and (E)-2-decenal also exhibited moderate toxicity against B. xylophilus (LC50 = 65.56 and 176.34 μg/mL, respectively). The LC50 of falcarinol for the toxicity of B. xylophilus was 7.7 and 21 times than that of octanoic acid and (E)-2-decenal, respectively. Our findings demonstrate that the essential oil from Seseli mairei H. Wolff roots and their isolates may be developed as a promising natural nematicide.
CSDR Coupling with Exo III for Ultrasensitive Electrochemistry Determination of miR-145
Authors: Zhang Moli , Yang Yang , Xin Lingyi , Zhang Hua , Wu Lun , Zhu Jun , Zhu Jing , Liu Shiyun , Wang Zhaohui , Chen Qinhua , Yang Guangyi
Published: February 2023

Recently, miRNAs have become a promising biomarker for disease diagnostics. miRNA-145 is closely related to strokes. The accuracy determination of miRNA-145 (miR-145) in stroke patients still remains challenging due to its heterogeneity and low abundance, as well as the complexity of the blood matrix. In this work, we developed a novel electrochemical miRNA-145 biosensor via subtly coupling the cascade strand displacement reaction (CSDR), exonuclease III (Exo III), and magnetic nanoparticles (MNPs). The developed electrochemical biosensor can quantitatively detect miRNA-145 ranging from 1 × 102 to 1 × 106 aM with a detection limit as low down as 100 aM. This biosensor also exhibits excellent specificity to distinguish similar miRNA sequences even with single-base differences. It has been successfully applied to distinguish healthy people from stroke patients. The results of this biosensor are consistent with the results of the reverse transcription quantitative polymerase chain reaction (RT-qPCR). The proposed electrochemical biosensor has great potential applications for biomedical research on and clinical diagnosis of strokes.
Feasibility of a Heterogeneous Nanoscale Zero-Valent Iron Fenton-like Process for the Removal of Glyphosate from Water
Authors: Ahmed Naveed , Vione Davide , Rivoira Luca , Castiglioni Michele , Beldean-Galea Mihail S. , Bruzzoniti Maria Concetta
Published: February 2023

Glyphosate is a widely used herbicide, and it is an important environmental pollutant that can have adverse effects on human health. Therefore, remediation and reclamation of contaminated streams and aqueous environments polluted by glyphosate is currently a worldwide priority. Here, we show that the heterogeneous nZVI–Fenton process (nZVI + H2O2; nZVI: nanoscale zero-valent iron) can achieve the effective removal of glyphosate under different operational conditions. Removal of glyphosate can also take place in the presence of excess nZVI, without H2O2, but the high amount of nZVI needed to remove glyphosate from water matrices on its own would make the process very costly. Glyphosate removal via nZVI–-Fenton was investigated in the pH range of 3–6, with different H2O2 concentrations and nZVI loadings. We observed significant removal of glyphosate at pH values of 3 and 4; however, due to a loss in efficiency of Fenton systems with increasing pH values, glyphosate removal was no longer effective at pH values of 5 or 6. Glyphosate removal also occurred at pH values of 3 and 4 in tap water, despite the occurrence of several potentially interfering inorganic ions. Relatively low reagent costs, a limited increase in water conductivity (mostly due to pH adjustments before and after treatment), and low iron leaching make nZVI–Fenton treatment at pH 4 a promising technique for eliminating glyphosate from environmental aqueous matrices.
New Carbamoyl Surface-Modified ZrO2 Nanohybrids for Selective Au Extraction from E-Waste
Authors: Asaad Sarah , Hamandi Marwa , Arrachart Guilhem , Pellet-Rostaing Stéphane , Kimbel Serge , Daniele Stéphane
Published: February 2023

Efficient and selective extractions of precious and critical metal ions such as Au(III) and Pd(II) were investigated using zirconia nanoparticles surface modified with different organic mono- and di-carbamoyl phosphonic acid ligands. The modification is made on the surface of commercial ZrO2 that is dispersed in aqueous suspension and was achieved by optimizing the Bronsted acid–base reaction in ethanol/H2O solution (1:2), resulting in inorganic–organic systems of ZrO2-Ln (Ln: organic carbamoyl phosphonic acid ligand). The presence, binding, amount, and stability of the organic ligand on the surface of zirconia nanoparticles were confirmed by different characterizations such as TGA, BET, ATR-FTIR, and 31P-NMR. Characterizations showed that all the prepared modified zirconia had a similar specific surface area (50 m2.g−1) and the same amount of ligand on the zirconia surface in a 1:50 molar ratio. ATR-FTIR and 31P-NMR data were used to elucidate the most favorable binding mode. Batch adsorption results showed that (i) ZrO2 surface modified with di-carbamoyl phosphonic acid ligands had the highest adsorption efficiency to extract metals than mono-carbamoyl ligands, and (ii) higher hydrophobicity of the ligand led to better adsorption efficiency. The surface-modified ZrO2 with di-N,N-butyl carbamoyl pentyl phosphonic acid ligand (ZrO2-L6) showed promising stability, efficiency, and reusability in industrial applications for selective gold recovery. In terms of thermodynamic and kinetic adsorption data, ZrO2-L6 fits the Langmuir adsorption model and pseudo-second-order kinetic model for the adsorption of Au(III) with maximum experimental adsorption capacity qmax = 6.4 mg.g−1.
Untargeted Metabolomics Combined with Sensory Analysis to Evaluate the Chemical Changes in Coppa Piacentina PDO during Different Ripening Times
Authors: Rocchetti Gabriele , Scansani Alessandra , Leni Giulia , Sigolo Samantha , Bertuzzi Terenzio , Prandini Aldo
Published: February 2023

Ripening time is known to drive the chemical and sensory profiles of dry meat products, thus potentially affecting the final quality of the product. Starting from these background conditions, the aim of this work was to shed light, for the first time, on the chemical modifications of a typical Italian PDO meat product—namely, Coppa Piacentina—during ripening, to find correlations between its sensory quality and the biomarker compounds related to the progress of ripening. The ripening time (from 60 to 240 days) was found to deeply modify the chemical composition of this typical meat product, providing potential biomarkers of both oxidative reactions and sensory attributes. The chemical analyses revealed that there is typically a significant decrease in the moisture content during ripening, likely due to increased dehydration. In addition, the fatty acid profile showed that the distribution of polyunsaturated fatty acids significantly (p < 0.05) decreased during ripening, because of their high susceptibility to oxidation and conversion to intermediate and secondary molecules. An untargeted metabolomics approach, coupled with unsupervised and supervised multivariate statistics, highlighted a significant impact (prediction scores > 1) of lipid oxidation during ripening time, with some metabolites (such as γ -glutamyl-peptides, hydroperoxy-fatty acids, and glutathione) being particularly discriminant in predicting the changes observed. The discriminant metabolites were coherent with the progressive increase of peroxide values determined during the entire ripening period. Finally, the sensory analysis outlined that the highest degree of ripening provided greater color intensity of the lean part, slice firmness, and chewing consistency, with glutathione and γ-glutamyl-glutamic acid establishing the highest number of significant correlations with the sensory attributes evaluated. Taken together, this work highlights the importance and validity of untargeted metabolomics coupled with sensory analysis to investigate the comprehensive chemical and sensory changes to dry meat during ripening.
Insight into the Speciation of Heavy Metals in the Contaminated Soil Incubated with Corn Cob-Derived Biochar and Apatite
Authors: Vuong Truong Xuan , Stephen Joseph , Nguyen Thi Thu Thuy , Cao Viet , Pham Dung Thuy Nguyen
Published: February 2023

Soil heavy metal contamination is a severe issue. The detrimental impact of contaminated heavy metals on the ecosystem depends on the chemical form of heavy metals. Biochar produced at 400 °C (CB400) and 600 °C (CB600) from corn cob was applied to remediate Pb and Zn in contaminated soil. After a one month amendment with biochar (CB400 and CB600) and apatite (AP) with the ratio of 3%, 5%, 10%, and 3:3% and 5:5% of the weight of biochar and apatite, the untreated and treated soil were extracted using Tessier’s sequence extraction procedure. The five chemical fractions of the Tessier procedure were the exchangeable fraction (F1), carbonate fraction (F2), Fe/Mn oxide fraction (F3), organic matter (F4), and residual fraction (F5). The concentration of heavy metals in the five chemical fractions was analyzed using inductively coupled plasma mass spectroscopy (ICP-MS). The results showed that the total concentration of Pb and Zn in the soil was 3023.70 ± 98.60 mg kg−1 and 2034.33 ± 35.41 mg kg−1, respectively. These figures were 15.12 and 6.78 times higher than the limit standard set by the United States Environmental Protection Agency (U.S. EPA 2010), indicating the high level of contamination of Pb and Zn in the studied soil. The treated soil’s pH, OC, and EC increased significantly compared to the untreated soil (p > 0.05). The chemical fraction of Pb and Zn was in the descending sequence of F2 (67%) > F5 (13%) > F1 (10%) > F3 (9%) > F4 (1%) and F2~F3 (28%) > F5 (27%) > F1 (16%) > F4 (0.4%), respectively. The amendment of BC400, BC600, and apatite significantly reduced the exchangeable fraction of Pb and Zn and increased the other stable fractions including F3, F4, and F5, especially at the rate of 10% of biochar and a combination of 5:5% of biochar and apatite. The effects of CB400 and CB600 on the reduction in the exchangeable fraction of Pb and Zn were almost the same (p > 0.05). The results showed that CB400, CB600, and the mixture of these biochars with apatite applied at 5% or 10% (w/w) could immobilize lead and zinc in soil and reduce the threat to the surrounding environment. Therefore, biochar derived from corn cob and apatite could be promising materials for immobilizing heavy metals in multiple-contaminated soil.
Analytical Method Cluster Development for Comprehensive Characterisation of Suberinic Acids Derived from Birch Outer Bark
Authors: Godina Daniela , Makars Raimonds , Paze Aigars , Rizhikovs Janis
Published: February 2023

Suberin is a complex polyester biopolymer, and it is practically impossible to estimate the real content of suberin in suberised plant tissues. This indicates the importance of the development of instrumental analytical methods for the comprehensive characterisation of suberin derived from plant biomass for the successful integration of suberinic products into biorefinery production chains. In this study, we optimised two GC-MS methods—one with direct sylilation, and the second with additional depolymerisation, using GPC methods with RI detector and polystyrene calibration and with a three-angle light scattering detector and an eighteen-angle light scattering detector. We also performed MALDI-Tof analysis for non-degraded suberin structure determination. We characterised suberinic acid (SA) samples obtained from birch outer bark after alkaline depolymerisation. The samples were particularly rich in diols, fatty acids and their esters, hydroxyacids and their corresponding esters, diacids and their corresponding esters, as well as extracts (mainly betulin and lupeol) and carbohydrates. To remove phenolic-type admixtures, treatment with ferric chloride (FeCl3) was used. The SA treatment with FeCl3 allows the possibility to obtain a sample that has a lower content of phenolic-type compounds and a lower molecular weight than an untreated sample. It was possible to identify the main free monomeric units of SA samples by GC-MS system using direct silylation. By performing an additional depolymerisation step before silylation, it was possible to characterise the complete potential monomeric unit composition in the suberin sample. For the molar mass distribution determination, it is important to perform GPC analysis. Even though chromatographic results can be obtained using a three- laser MALS detector, they are not fully correct because of the fluorescence of the SA samples. Therefore an 18-angle MALS detector with filters was more suitable for SA analysis. MALDI-Tof analysis is a great tool for the polymeric compound structural identification, which cannot be done using GC-MS. Using the MALDI data, we discovered that the main monomeric units that makes up the SA macromolecular structure are octadecanedioic acid and 2-(1,3-dihydroxyprop-2-oxy)decanedioic acid. This corresponds with GC-MS results, showing that after depolymerisation hydroxyacids and diacids were the dominant type of compounds found in the sample.
Fabrication of Porous Carbon Nanofibers from Polymer Blends Using Template Method for Electrode-Active Materials in Supercapacitor
Authors: Wang He , Yao Lan , Zuo Hongmei , Ruan Fangtao , Wang Hongjie
Published: February 2023

Porous carbon nanofibers (PCNFs) with excellent physical and chemical properties have been considered candidate materials for electrodes used in supercapacitors. Herein, we report a facile procedure to fabricate PCNFs through electrospinning blended polymers into nanofibers followed by pre-oxidation and carbonization. Polysulfone (PSF), high amylose starch (HAS), and phenolic resin (PR) are used as three different kinds of template pore-forming agents. The effects of pore-forming agents on the structure and properties of PCNFs have been systematically studied. The surface morphology, chemical components, graphitized crystallization, and pore characteristics of PCNFs are analyzed by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and nitrogen adsorption and desorption test, respectively. The pore-forming mechanism of PCNFs is analyzed by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Fabricated PCNF-R have a specific surface area as high as ~994 m2/g, a total pore volume as high as ~0.75 cm3/g, and a good graphitization degree. When PCNF-R are used as active materials to fabricate into electrodes, the PCNF-R electrodes show a high specific capacitance ~350 F/g, a good rate capability ~72.6%, a low internal resistance ~0.55 Ω, and an excellent cycling stability ~100% after 10,000 charging and discharging cycles. The design of low-cost PCNFs is expected to be widely applicable for the development of high-performance electrodes for an energy storage field.
Bufalin-Mediated Regulation of Cell Signaling Pathways in Different Cancers: Spotlight on JAK/STAT, Wnt/β-Catenin, mTOR, TRAIL/TRAIL-R, and Non-Coding RNAs
Authors: Farooqi Ammad Ahmad , Rakhmetova Venera S. , Kapanova Gulnara , Tashenova Gulnara , Tulebayeva Aigul , Akhenbekova Aida , Ibekenov Onlassyn , Turgambayeva Assiya , Xu Baojun
Published: February 2023

The renaissance of research into natural products has unequivocally and paradigmatically shifted our knowledge about the significant role of natural products in cancer chemoprevention. Bufalin is a pharmacologically active molecule isolated from the skin of the toad Bufo gargarizans or Bufo melanostictus. Bufalin has characteristically unique properties to regulate multiple molecular targets and can be used to harness multi-targeted therapeutic regimes against different cancers. There is burgeoning evidence related to functional roles of signaling cascades in carcinogenesis and metastasis. Bufalin has been reported to regulate pleiotropically a myriad of signal transduction cascades in various cancers. Importantly, bufalin mechanistically regulated JAK/STAT, Wnt/β-Catenin, mTOR, TRAIL/TRAIL-R, EGFR, and c-MET pathways. Furthermore, bufalin-mediated modulation of non-coding RNAs in different cancers has also started to gain tremendous momentum. Similarly, bufalin-mediated targeting of tumor microenvironments and tumor macrophages is an area of exciting research and we have only started to scratch the surface of the complicated nature of molecular oncology. Cell culture studies and animal models provide proof-of-concept for the impetus role of bufalin in the inhibition of carcinogenesis and metastasis. Bufalin-related clinical studies are insufficient and interdisciplinary researchers require detailed analysis of the existing knowledge gaps.
Polygonati Rhizoma Polysaccharide Prolongs Lifespan and Healthspan in Caenorhabditis elegans
Authors: Luan Yage , Jiang Yu , Huang Rong , Wang Xuan , He Xiujuan , Liu Yonggang , Tan Peng
Published: February 2023

Polygonati Rhizoma is the dried rhizome of Polygonatum kingianum coll.et hemsl., Polygonatum sibiricum Red. or Polygonatum cyrtonema Hua, and has a long history of medication. Raw Polygonati Rhizoma (RPR) numbs the tongue and stings the throat, while prepared Polygonati Rhizoma (PPR) can remove the numbness of the tongue, and at the same time enhance its functions of invigorating the spleen, moistening the lungs and tonifying the kidneys. There are many active ingredients in Polygonati Rhizoma (PR), among which polysaccharide is one of the most important active ingredients. Therefore, we studied the effect of Polygonati Rhizoma polysaccharide (PRP) on the lifespan of Caenorhabditis elegans (C. elegans) and found that polysaccharide in PPR (PPRP) was more effective than Polysaccharide in RPR (RPRP) in prolonging the lifespan of C. elegans, reducing the accumulation of lipofuscin, and increasing the frequency of pharyngeal pumping and movement. The further mechanism study found that PRP can improve the anti-oxidative stress ability of C. elegans, reduce the accumulation of reactive oxygen species (ROS) in C. elegans, and improve the activity of antioxidant enzymes. The results of quantitative real-time PCR(q-PCR) experiments suggested that PRP may prolong the lifespan of C. elegans by down-regulating daf-2 and activating daf-16 and sod-3, and the transgenic nematode experiments were consistent with its results, so it was hypothesized that the mechanism of age delaying effect of PRP was related to daf-2, daf-16 and sod-3 of the insulin signaling pathway. In short, our research results provide a new idea for the application and development of PRP.
Lipopolysaccharide Activated NF-kB Signaling by Regulating HTRA1 Expression in Human Retinal Pigment Epithelial Cells
Authors: Pan Shengliu , Liu Min , Xu Huijuan , Chuan Junlan , Yang Zhenglin
Published: February 2023

Inflammation and elevated expression of high temperature requirement A serine peptidase 1 (HTRA1) are known high risk factors for age-related macular degeneration (AMD). However, the specific mechanism that HTRA1 causes AMD and the relationship between HTRA1 and inflammation remains unclear. We found that lipopolysaccharide (LPS) induced inflammation enhanced the expression of HTRA1, NF-κB, and p-p65 in ARPE-19 cells. Overexpression of HTRA1 up-regulated NF-κB expression, and on the other hand knockdown of HTRA1 down-regulated the expression of NF-κB. Moreover, NF-κB siRNA has no significant effect on the expression of HTRA1, suggesting HTRA1 works upstream of NF-κB. These results demonstrated that HTRA1 plays a pivotal role in inflammation, explaining possible mechanism of overexpressed HTRA1-induced AMD. Celastrol, a very common anti-inflammatory and antioxidant drug, was found to suppress inflammation by inhibiting phosphorylation of p65 protein efficaciously in RPE cells, which may be applied to the therapy of age-related macular degeneration.
Oral Bioactive Self-Nanoemulsifying Drug Delivery Systems of Remdesivir and Baricitinib: A Paradigmatic Case of Drug Repositioning for Cancer Management
Authors: Kazi Mohsin , Alanazi Yousef , Kumar Ashok , Shahba Ahmad Abdul-Wahhab , Rizwan Ahamad Syed , Alghamdi Khalid M.
Published: February 2023

Oral anticancer therapy mostly faces the challenges of low aqueous solubility, poor and irregular absorption from the gastrointestinal tract, food-influenced absorption, high first-pass metabolism, non-targeted delivery, and severe systemic and local adverse effects. Interest has been growing in bioactive self-nanoemulsifying drug delivery systems (bio-SNEDDSs) using lipid-based excipients within nanomedicine. This study aimed to develop novel bio-SNEDDS to deliver antiviral remdesivir and baricitinib for the treatment of breast and lung cancers. Pure natural oils used in bio-SNEDDS were analyzed using GC-MS to examine bioactive constituents. The initial evaluation of bio-SNEDDSs were performed based on self-emulsification assessment, particle size analysis, zeta potential, viscosity measurement, and transmission electron microscopy (TEM). The single and combined anticancer effects of remdesivir and baricitinib in different bio-SNEDDS formulations were investigated in MDA-MB-231 (breast cancer) and A549 (lung cancer) cell lines. The results from the GC-MS analysis of bioactive oils BSO and FSO showed pharmacologically active constituents, such as thymoquinone, isoborneol, paeonol and p-cymenene, and squalene, respectively. The representative F5 bio-SNEDDSs showed relatively uniform, nanosized (247 nm) droplet along with acceptable zeta potential values (+29 mV). The viscosity of the F5 bio-SNEDDS was recorded within 0.69 Cp. The TEM suggested uniform spherical droplets upon aqueous dispersions. Drug-free, remdesivir and baricitinib-loaded bio-SNEDDSs (combined) showed superior anticancer effects with IC50 value that ranged from 1.9–4.2 µg/mL (for breast cancer), 2.4–5.8 µg/mL (for lung cancer), and 3.05–5.44 µg/mL (human fibroblasts cell line). In conclusion, the representative F5 bio-SNEDDS could be a promising candidate for improving the anticancer effect of remdesivir and baricitinib along with their existing antiviral performance in combined dosage form.
Mechanochemistry Frees Thiourea Dioxide (TDO) from the ‘Veils’ of Solvent, Exposing All Its Reactivity
Authors: Basoccu Francesco , Cuccu Federico , Caboni Pietro , De Luca Lidia , Porcheddu Andrea
Published: February 2023

The synthesis of nitrogen-based heterocycles has always been considered essential in developing pharmaceuticals in medicine and agriculture. This explains why various synthetic approaches have been proposed in recent decades. However performing as methods, they often imply harsh conditions or the employment of toxic solvents and dangerous reagents. Mechanochemistry is undoubtedly one of the most promising technologies currently used for reducing any possible environmental impact, addressing the worldwide interest in counteracting environmental pollution. Following this line, we propose a new mechanochemical protocol for synthesizing various heterocyclic classes by exploiting thiourea dioxide (TDO)’s reducing proprieties and electrophilic nature. Simultaneously exploiting the low cost of a component of the textile industry such as TDO and all the advantages brought by a green technique such as mechanochemistry, we plot a route towards a more sustainable and eco-friendly methodology for preparing heterocyclic moieties.
Bio-Inspired Iron Pentadentate Complexes as Dioxygen Activators in the Oxidation of Cyclohexene and Limonene
Authors: Rydel-Ciszek Katarzyna , Pacześniak Tomasz , Chmielarz Paweł , Sobkowiak Andrzej
Published: February 2023

The use of dioxygen as an oxidant in fine chemicals production is an emerging problem in chemistry for environmental and economical reasons. In acetonitrile, the [(N4Py)FeII]2+ complex, [N4Py—N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amine] in the presence of the substrate activates dioxygen for the oxygenation of cyclohexene and limonene. Cyclohexane is oxidized mainly to 2-cyclohexen-1-one, and 2-cyclohexen-1-ol, cyclohexene oxide is formed in much smaller amounts. Limonene gives as the main products limonene oxide, carvone, and carveol. Perillaldehyde and perillyl alcohol are also present in the products but to a lesser extent. The investigated system is twice as efficient as the [(bpy)2FeII]2+/O2/cyclohexene system and comparable to the [(bpy)2MnII]2+/O2/limonene system. Using cyclic voltammetry, it has been shown that, when the catalyst, dioxgen, and substrate are present simultaneously in the reaction mixture, the iron(IV) oxo adduct [(N4Py)FeIV=O]2+ is formed, which is the oxidative species. This observation is supported by DFT calculations.
Updated Progress of the Copper-Catalyzed Borylative Functionalization of Unsaturated Molecules
Authors: Li Bingru , Liang Huayu , Vignesh Arumugam , Zhou Xiaoyu , Liu Yan , Ke Zhuofeng
Published: February 2023

Borylation has become a powerful method to synthesize organoboranes as versatile building blocks in organic synthesis, medicinal chemistry, and materials science. Copper-promoted borylation reactions are extremely attractive due to the low cost and non-toxicity of the copper catalyst, mild reaction conditions, good functional group tolerance, and convenience in chiral induction. In this review, we mainly updated recent advances (from 2020 to 2022) in the synthetic transformations in C=C/C≡C multiple bonds, and C=E multiple bonds mediated by copper boryl systems.
Mechanism of Skyrmion Attraction in Chiral Magnets near the Ordering Temperatures
Authors: Leonov Andrey O. , Rößler Ulrich K.
Published: February 2023

Isolated chiral skyrmions are investigated within the phenomenological Dzyaloshinskii model near the ordering temperatures of quasi-two-dimensional chiral magnets with Cnv symmetry and three-dimensional cubic helimagnets. In the former case, isolated skyrmions (IS) perfectly blend into the homogeneously magnetized state. The interaction between these particle-like states, being repulsive in a broad low-temperature (LT) range, is found to switch into attraction at high temperatures (HT). This leads to a remarkable confinement effect: near the ordering temperature, skyrmions exist only as bound states. This is a consequence of the coupling between the magnitude and the angular part of the order parameter, which becomes pronounced at HT. The nascent conical state in bulk cubic helimagnets, on the contrary, is shown to shape skyrmion internal structure and to substantiate the attraction between them. Although the attracting skyrmion interaction in this case is explained by the reduction of the total pair energy due to the overlap of skyrmion shells, which are circular domain boundaries with the positive energy density formed with respect to the surrounding host phase, additional magnetization “ripples” at the skyrmion outskirt may lead to attraction also at larger length scales. The present work provides fundamental insights into the mechanism for complex mesophase formation near the ordering temperatures and constitutes a first step to explain the phenomenon of multifarious precursor effects in that temperature region.
Harmonic-Gaussian Symmetric and Asymmetric Double Quantum Wells: Magnetic Field Effects
Authors: Kasapoglu Esin , Yücel Melike Behiye , Duque Carlos A.
Published: February 2023

In this study, we considered the linear and non-linear optical properties of an electron in both symmetrical and asymmetrical double quantum wells, which consist of the sum of an internal Gaussian barrier and a harmonic potential under an applied magnetic field. Calculations are in the effective mass and parabolic band approximations. We have used the diagonalization method to find eigenvalues and eigenfunctions of the electron confined within the symmetric and asymmetric double well formed by the sum of a parabolic and Gaussian potential. A two-level approach is used in the density matrix expansion to calculate the linear and third-order non-linear optical absorption and refractive index coefficients. The potential model proposed in this study is useful for simulating and manipulating the optical and electronic properties of symmetric and asymmetric double quantum heterostructures, such as double quantum wells and double quantum dots, with controllable coupling and subjected to externally applied magnetic fields.
The Effect of a Novel Mica Nanoparticle, STB-MP, on an Alzheimer’s Disease Patient-Induced PSC-Derived Cortical Brain Organoid Model
Authors: Kim Nam Gyo , Jung Dong Ju , Jung Yeon-Kwon , Kang Kyung-Sun
Published: February 2023

Alzheimer’s disease (AD) is one of the most well-known neurodegenerative diseases, with a substantial amount of advancements in the field of neuroscience and AD. Despite such progress, there has been no significant improvement in AD treatments. To improve in developing a research platform for AD treatment, AD patient-derived induced pluripotent stem cell (iPSC) was employed to generate cortical brain organoids, expressing AD phenotypes, with the accumulation of amyloid-beta (Aβ) and hyperphosphorylated tau (pTau). We have investigated the use of a medical grade mica nanoparticle, STB-MP, as a treatment to decrease the expression of AD’s major hallmarks. STB-MP treatment did not inhibit the expression of pTau; however, accumulated Aβ plaques were diminished in STB-MP treated AD organoids. STB-MP seemed to activate the autophagy pathway, by mTOR inhibition, and also decreased γ-secretase activity by decreasing pro-inflammatory cytokine levels. To sum up, the development of AD brain organoids successfully mimics AD phenotype expressions, and thus it could be used as a screening platform for novel AD treatment assessments.
Amorphous As2S3 Doped with Transition Metals: An Ab Initio Study of Electronic Structure and Magnetic Properties
Authors: Kuznetsov Vladimir G. , Gavrikov Anton A. , Krbal Milos , Trepakov Vladimir A. , Kolobov Alexander V.
Published: February 2023

Crystalline transition-metal chalcogenides are the focus of solid state research. At the same time, very little is known about amorphous chalcogenides doped with transition metals. To close this gap, we have studied, using first principle simulations, the effect of doping the typical chalcogenide glass As2S3 with transition metals (Mo, W and V). While the undoped glass is a semiconductor with a density functional theory gap of about 1 eV, doping results in the formation of a finite density of states (semiconductor-to-metal transformation) at the Fermi level accompanied by an appearance of magnetic properties, the magnetic character depending on the nature of the dopant. Whilst the magnetic response is mainly associated with d-orbitals of the transition metal dopants, partial densities of spin-up and spin-down states associated with arsenic and sulphur also become slightly asymmetric. Our results demonstrate that chalcogenide glasses doped with transition metals may become a technologically important material.
Cation Vacancies in Feroxyhyte Nanosheets toward Fast Kinetics in Lithium–Sulfur Batteries
Authors: Niu Aimin , Mu Jinglin , Zhou Jin , Tang Xiaonan , Zhuo Shuping
Published: February 2023

Lithium–sulfur batteries have attracted extensive attention owing to their environmental friendliness, abundant reserves, high specific discharge capacity, and energy density. The shuttling effect and sluggish redox reactions confine the practical application of Li–S batteries. Exploring the new catalyst activation principle plays a key role in restraining polysulfide shuttling and improving conversion kinetics. In this respect, vacancy defects have been demonstrated to enhance the polysulfide adsorption and catalytic ability. However, inducing active defects has been mostly created by anion vacancies. In this work, an advanced polysulfide immobilizer and catalytic accelerator is developed by proposing FeOOH nanosheets with rich Fe vacancies (FeVs). The work provides a new strategy for the rational design and facile fabrication of cation vacancies to improve the performance of Li–S batteries.
Putting the Personalized Metabolic Avatar into Production: A Comparison between Deep-Learning and Statistical Models for Weight Prediction
Authors: Abeltino Alessio , Bianchetti Giada , Serantoni Cassandra , Riente Alessia , De Spirito Marco , Maulucci Giuseppe
Published: February 2023

Nutrition is a cross-cutting sector in medicine, with a huge impact on health, from cardiovascular disease to cancer. Employment of digital medicine in nutrition relies on digital twins: digital replicas of human physiology representing an emergent solution for prevention and treatment of many diseases. In this context, we have already developed a data-driven model of metabolism, called a “Personalized Metabolic Avatar” (PMA), using gated recurrent unit (GRU) neural networks for weight forecasting. However, putting a digital twin into production to make it available for users is a difficult task that as important as model building. Among the principal issues, changes to data sources, models and hyperparameters introduce room for error and overfitting and can lead to abrupt variations in computational time. In this study, we selected the best strategy for deployment in terms of predictive performance and computational time. Several models, such as the Transformer model, recursive neural networks (GRUs and long short-term memory networks) and the statistical SARIMAX model were tested on ten users. PMAs based on GRUs and LSTM showed optimal and stable predictive performances, with the lowest root mean squared errors (0.38 ± 0.16–0.39 ± 0.18) and acceptable computational times of the retraining phase (12.7 ± 1.42 s–13.5 ± 3.60 s) for a production environment. While the Transformer model did not bring a substantial improvement over RNNs in term of predictive performance, it increased the computational time for both forecasting and retraining by 40%. The SARIMAX model showed the worst performance in term of predictive performance, though it had the best computational time. For all the models considered, the extent of the data source was a negligible factor, and a threshold was established for the number of time points needed for a successful prediction.
The Role of Phytochemicals and Gut Microbiome in Atherosclerosis in Preclinical Mouse Models
Authors: Centner Ann M. , Khalili Leila , Ukhanov Vladimir , Kadyan Saurabh , Nagpal Ravinder , Salazar Gloria
Published: February 2023

Gut microbiome alterations have recently been linked to many chronic conditions including cardiovascular disease (CVD). There is an interplay between diet and the resident gut microbiome, where the food eaten affects populations of certain microbes. This is important, as different microbes are associated with various pathologies, as they can produce compounds that are disease-promoting or disease-protecting. The Western diet negatively affects the host gut microbiome, ultimately resulting in heightened arterial inflammation and cell phenotype changes as well as plaque accumulation in the arteries. Nutritional interventions including whole foods rich in fiber and phytochemicals as well as isolated compounds including polyphenols and traditional medicinal plants show promise in positively influencing the host gut microbiome to alleviate atherosclerosis. This review investigates the efficacy of a vast array of foods and phytochemicals on host gut microbes and atherosclerotic burden in mice. Reduction in plaque by interventions was associated with increases in bacterial diversity, reduction in the Firmicutes/Bacteroidetes (F/B) ratio, and upregulation of Akkermansia. Upregulation in CYP7 isoform in the liver, ABC transporters, bile acid excretion, and the level of acetic acid, propionic acid, and butyric acid were also noted in several studies reducing plaque. These changes were also associated with attenuated inflammation and oxidative stress. In conclusion, an increase in the abundance of Akkermansia with diets rich in polyphenols, fiber, and grains is likely to reduce plaque burden in patients suffering from CVD.
Body Composition and Nutritional Status of the Spanish National Breaking Team Aspiring to the Paris 2024 Olympic Games
Authors: Montalbán-Méndez Cristina , Giménez-Blasi Nuria , García-Rodríguez Inés Aurora , Latorre José Antonio , Conde-Pipo Javier , López-Moro Alejandro , Mariscal-Arcas Miguel , Gil-Antuñano Nieves Palacios
Published: February 2023

Breaking is a sports dance modality that will debut for the first time at the Paris 2024 Olympic Games. This dance form combines street dance steps with acrobatics and athletic elements. It complies with gender equality, maintains aesthetic appeal, and is practised indoors. The objective of this study is to assess the characteristics of body composition and nutritional status of the athletes that make up the Breaking national team. This national team was recruited, and they underwent an analysis of body composition using bioimpedance measurement and a nutritional interview status with the completion of a survey on the frequency of the consumption of sports supplements and ergogenic aids. In addition, they completed a consumption questionnaire for a series of food groups with specified protein, lipid, and carbohydrate content. After that, parameters were analyzed in relation to their nutritional status during a complete medical examination at the Endocrinology and Nutrition Service of the Sports Medicine Center of CSD. A descriptive analysis of the results obtained was carried out to find the mean values of the variables analyzed. The analytical parameters described an adequate nutritional status, except for the mean capillary determination of 25-OH-vitamin D3, which was 24.2 ng/dL (SD: 10.3). Bone mineral density values were higher than those of the general population. This is the first time that a study of these characteristics has been carried out on Breakers, so it is highly relevant to increase knowledge in this area in order to conduct nutritional interventions aimed at improving the sports performance of these athletes.
Diet-Induced Microbiome’s Impact on Heart Failure: A Double-Edged Sword
Authors: Rodrigues Alexandre , Gonçalves Alexandre , Morais Juliana , Araujo Ricardo , Falcão-Pires Inês
Published: February 2023

Heart failure (HF) is a debilitating disease with a significant clinical and economic impact worldwide. Multiple factors seem to increase the risk of developing HF, such as hypertension, obesity and diabetes. Since chronic inflammation plays a significant role in HF pathophysiology and gut dysbiosis is associated with low-grade chronic inflammation, the risk of cardiovascular diseases is likely modulated by the gut microbiome (GM). Considerable progress has been made in HF management. However, there is a need to find new strategies to reduce mortality and increase the quality of life, mainly of HFpEF patients, since its prevalence continues to rise. Recent studies validate that lifestyle changes, such as diet modulation, represent a potential therapeutic approach to improve several cardiometabolic diseases, although their effects on the GM and its indirect cardiac impact still warrant further research. Hence, in this paper, we aim to clarify the link between HF and the human microbiome.