bluuebunny/crossref_metadata_2025 huggingface dataset:
Physico-Chemical Characterization of an Exocellular Sugars Tolerant Β-Glucosidase from Grape Metschnikowia pulcherrima Isolates
Authors: Mateo José Juan
Published: April 2023

A broad variety of microorganisms with useful characteristics in the field of biotechnology live on the surface of grapes; one of these microorganisms is Metschnikowia pulcherrima. This yeast secretes a β-glucosidase that can be used in fermentative processes to liberate aromatic compounds. In this work, the synthesis of an exocellular β-glucosidase has been demonstrated and the optimal conditions to maximize the enzyme’s effectiveness were determined. There was a maximum enzymatic activity at 28 °C and pH 4.5. Furthermore, the enzyme presents a great glucose and fructose tolerance, and to a lesser extent, ethanol tolerance. In addition, its activity was stimulated by calcium ions and low concentrations of ethanol and methanol. The impact of terpene content in wine was also determined. Because of these characteristics, β-glucosidase is a good candidate for use in enology.
Protective Effect of Novel Lactobacillus plantarum KC3 Isolated from Fermented Kimchi on Gut and Respiratory Disorders
Authors: Park Min-Seon , Kim Yu-Jeong , Shin Han-Jae , Kwon Yoo Jin , Chu Jaeryang , Lee Inock , Kim Kyung Hwan , Kim Byoung Kook , Kim Seung-Hyung , Seo Hwi Won , Kim Tae-Won
Published: April 2023

Probiotics have been shown to possess anti-inflammatory effects in the gut by directly reducing the production of pro-inflammatory cytokines and by secreting anti-inflammatory molecules. However, their systemic anti-inflammatory effects have not been thoroughly investigated. In this study, we aimed to develop probiotics that have efficacy in both intestinal and lung inflammation. Lactobacillus plantarum KC3 (KC3), which was isolated from kimchi, was selected as a pre-candidate based on its inhibitory effects on the production of pro-inflammatory cytokines in vitro. To further validate the effectiveness of KC3, we used ear edema, DSS-induced colitis, and ambient particulate-matter-induced lung inflammation models. First, KC3 exhibited direct anti-inflammatory effects on intestinal cells with the inhibition of IL-1β and TNF-α production. Additionally, KC3 treatment alleviated ear edema and DSS-induced colic inflammation, improving colon length and increasing the number of regulatory T cells. Beyond its local intestinal anti-inflammatory activity, KC3 inhibited pro-inflammatory cytokines in the bronchoalveolar fluid and prevented neutrophil infiltration in the lungs. These results suggest that KC3 could be a potential functional ingredient with respiratory protective effects against air-pollutant-derived inflammation, as well as for the treatment of local gut disorders.
Genome Mining and Screening for Secondary Metabolite Production in the Endophytic Fungus Dactylonectria alcacerensis CT-6
Authors: Ming Qianliang , Huang Xiuning , He Yimo , Qin Lingyue , Tang Yu , Liu Yanxia , Huang Yuting , Zhang Hongwei , Li Peng
Published: April 2023

Endophytic fungi are a treasure trove of natural products with great chemical diversity that is largely unexploited. As an alternative to the traditional bioactivity-guided screening approach, the genome-mining-based approach provides a new methodology for obtaining novel natural products from endophytes. In our study, the whole genome of an endophyte, Dactylonectria alcacerensis CT-6, was obtained for the first time. Genomic analysis indicated that D. alcacerensis CT-6 has one 61.8 Mb genome with a G+C content of 49.86%. Gene annotation was extensively carried out using various BLAST databases. Genome collinearity analysis revealed that D. alcacerensis CT-6 has high homology with three other strains of the Dactylonectria genus. AntiSMASH analysis displayed 45 secondary metabolite biosynthetic gene clusters (BGCs) in D. alcacerensis CT-6, and most of them were unknown and yet to be unveiled. Furthermore, only six known substances had been isolated from the fermented products of D. alcacerensis CT-6, suggesting that a great number of cryptic BGCs in D. alcacerensis CT-6 are silent and/or expressed at low levels under conventional conditions. Therefore, our study provides an important basis for further chemical study of D. alcacerensis CT-6 using the gene-mining strategy to awaken these cryptic BGCs for the production of bioactive secondary metabolites.
PreS1 Containing HBc VLPs for the Development of a Combined Therapeutic/Prophylactic Hepatitis B Vaccine
Authors: Dishlers Andris , Petrovskis Ivars , Skrastina Dace , Zarina Ieva , Lieknina Ilva , Jansons Juris , Akopjana Inara , Zakova Jelena , Ose Velta , Sominskaya Irina
Published: April 2023

The available HBV vaccines based on the HBV surface protein are manufactured in yeasts and demonstrate excellent prophylactic but no therapeutic activity and are thus ineffective against chronic HBV infection. Five different HBV core proteins (HBc)—full length and C-terminally truncated—were used for the insertion of the short, preS1,aa 20–47 and long, preS1phil, aa 12–60 + 89–119 fragments. Modified virus-like particles (VLPs) were compared for their biotechnological and immunological properties. The expression level of HBc-preS1 proteins was high for all investigated proteins, allowing us to obtain 10–20 mg of purified VLPs from a gram of biomass with the combination of gel filtration and ion-exchange chromatography to reach approximately 90% purity of target proteins. The immunogenicity of chimeric VLPs was tested in BALB/c mice, showing a high anti-preS1 response and substantial T-cell proliferation after stimulation with HBc protein. Targeted incorporation of oligonucleotide ODN 1668 in modified HBc-preS1 VLPs was demonstrated.
The First Swedish Outbreak with VIM-2-Producing Pseudomonas aeruginosa, Occurring between 2006 and 2007, Was Probably Due to Contaminated Hospital Sinks
Authors: Fraenkel Carl-Johan , Starlander Gustaf , Tano Eva , Sütterlin Susanne , Melhus Åsa
Published: April 2023

Multidrug-resistant Pseudomonas aeruginosa is an increasing clinical problem worldwide. The aim of this study was to describe the first outbreak of a Verona integron-borne metallo-ß-lactamase (VIM)-2-producing P. aeruginosa strain in Sweden and its expansion in the region. A cluster of multidrug-resistant P. aeruginosa appeared at two neighbouring hospitals in 2006. The isolates were characterized by PCR, pulsed-field gel electrophoresis (PFGE), and whole-genome sequencing. Patient charts, laboratory records, and hygiene routines were reviewed, and patients, staff, and the environment were screened. The investigation revealed a clonal outbreak of a VIM-2-producing P. aeruginosa strain belonging to the high-risk clonal complex 111, susceptible only to gentamicin and colistin. No direct contact between patients could be established, but most of them had stayed in certain rooms/wards weeks to months apart. Cultures from two sinks yielded growth of the same strain. The outbreak ended when control measures against the sinks were taken, but new cases occurred in a tertiary care hospital in the region. In conclusion, when facing prolonged outbreaks with this bacterium, sinks and other water sources in the hospital environment should be considered. By implementing proactive control measures to limit the bacterial load in sinks, the waterborne transmission of P. aeruginosa may be reduced.
Biological Activities and Biochemical Composition of Endemic Achillea fraasii
Authors: Tunca-Pinarli Yagmur , Benek Atakan , Turu Dilay , Bozyel Mustafa Eray , Canli Kerem , Altuner Ergin Murat
Published: April 2023

In this study, we investigated the antimicrobial, antioxidant, and antibiofilm activities and the biochemical composition of Achillea fraasii. The antimicrobial activity of A. fraasii ethanol extract (AFEt) was tested against 48 strains, and this is the first study testing the antimicrobial activity of this plant to this extent. The antioxidant activity was determined using the DPPH assay, and the antibiofilm activity of A. fraasii aqueous extract (AFAq) against five strains was assessed. The chemical composition of the plant extract was determined using GC-MS with artemisia ketone (19.41%) as the main component. The findings indicated that AFEt displayed antimicrobial activity against 38 strains, with a particular efficacy observed against various Staphylococcus aureus strains, such as S. aureus ATCC 25923, clinically isolated, multidrug resistant (MDR), and methicillin-resistant (MRSA) strains. In addition, the highest activity was observed against Enterococcus faecium. Moreover, the extract demonstrated activity against Candida strains. The plant extract also showed relatively good antioxidant activity compared to ascorbic acid, with an EC50 value of 55.52 µg/mL. However, AFAq acted as a biofilm activator against Escherichia coli ATCC 25922, increasing the biofilm formation by 2.63-fold. In conclusion, our study demonstrates the potential of A. fraasii as a source of antimicrobial and antioxidant agents.
The Role of Microbiota in Upper and Lower Gastrointestinal Functional Disorders
Authors: Mandarino Francesco Vito , Sinagra Emanuele , Raimondo Dario , Danese Silvio
Published: April 2023

Functional gastrointestinal disorders (FGIDs), also known as disorders of gut–brain interaction, are a group of disorders characterized by chronic gastrointestinal symptoms in the absence of demonstrable pathology on conventional testing [...]
Special Issue “Multidrug-Resistant Bacteria in the Environment, Their Resistance and Transfer Mechanisms”
Authors: Grohmann Elisabeth
Published: April 2023

Multidrug-resistant bacteria are an emerging issue which is not restricted to clinics and the health care sector, but is increasingly affecting the environment [...]
Preparation of Foamed Ceramics from Graphite Tailings Using A Self-Foaming Method
Authors: Hu Suhua , Li Daorong , Li Yongli , Guo Qiang , Tian Dengchao , Zhang Ling , Li Huilin
Published: April 2023

Graphite tailings were used as the raw materials for the preparation of foamed ceramics via a high-temperature self-foaming method. The residual carbon in the tailings acted as the foaming agent and no additional foaming agents were required. The residual carbon reacted with Fe2O3 and produced gas that was wrapped by the liquid phase to form a porous structure. The effects of sintering temperature, holding time, carbon content, flux on the bulk density, water absorption, and mean pore size of the foamed ceramics were investigated. The bulk density, compressive strength, thermal conductivity, and water absorption of the foamed ceramic prepared using the optimal sample D100 (100 wt% graphite tailings) and sintered at 1200 °C for 20 min were 1.36 g/cm3, 0.35%, 12.03 MPa, and 0.51 W/(m·K), respectively. The raw material contained CaO, Fe2O3, and SiO2, which formed augite with a low fusibility point. In contrast, the molten decomposition products of potassium feldspar and CaSiO3 ions formed anorthite, which has a high fusibility point. Therefore, potassium feldspar is not recommended for use as a flux in tailing systems with high calcium content. Foamed ceramics were prepared using up to 100 wt% graphite tailings. This is a new approach for the economical disposal of graphite tailings.
Controls on Critical Metal Enrichments in Ferromanganese Nodules from the Philippine Sea, at Water Depths of 4400–6000 m
Authors: Li Chao , Song Weiyu , Sun Zhenjun , Hu Gang , Yuan Xiaojun , Kao Shuh-Ji
Published: April 2023

Enrichments of critical metals in ferromanganese (Fe–Mn) nodules have received increasing attention in both deep-sea research and mineral exploration. To better assess the controls on the resource potential of Fe–Mn nodules, we conducted a comprehensive and detailed study of twelve nodules from the Philippine Sea collected from water depths of 4400 to 6000 m by investigating their microstructures, bulk geochemistry, and in situ Fe–Mn oxyhydroxide geochemistry, using XRF, ICP-MS, EMPA, and LA-ICP-MS coupled with BSE images. We successfully resolved different controls on the element enrichments, of which significant selective enrichment of metal elements in seawater is similar to that of typical hydrogenetic nodules. An enhanced supply of iron hydroxide due to calcite dissolution resulted in a dilution effect on Co, Ni, and Mn but an enrichment effect on rare earth elements plus yttrium (REE + Y) and Fe in nodules near topographic highs close to the carbonate compensation depth. While the supply of diagenetic Mn resulted in a dilution on Co and REE + Y, it resulted in enrichment on Ni, Cu, Li, and Mn on nodules on the seafloor. Moreover, via micro-layer analyses we confirmed the growth rate is a major determinant for the correlations of Co and REE with Fe-oxyhydroxides in these Philippine Sea nodules.
Role of the Polar Proportion of Compound Collectors in Low-Rank Coal Flotation Upgrading: Insights from the Molecular Scale
Authors: Liu Junling , Bao Xicheng , Hao Yesheng , Liu Jincheng , Cheng Yulong , Zhang Rui , Xing Yaowen , Gui Xiahui , Li Jihui , Avid Budeebazar
Published: April 2023

The compound collector, composed of polar and nonpolar parts, is a current research hotspot in low-rank coal (LRC) flotation because of its outstanding flotation efficiency and cost-effectiveness. However, the selection of compound proportions lacks theoretical guidance. In this study, we comprehensively investigate the internal mechanism underlying the influence of the compound proportion (oleic acid (OA):dodecane (DD)) on LRC flotation. The molecular dynamics (MD) simulation between bubble and oil film was simultaneously employed to study the surface interactions between three phases in contact. The compound proportion of OA:DD = 1:3 was found to be the most conductive for Zhuanlongwan coal flotation, which provides a robust collecting capacity while minimizing excessive interaction with water. Thus, the spreading area is the largest and the interaction energy between collectors and LRC is the highest. Additionally, the oil film formed at this ratio has the best hydrophobicity, resulting in the fastest adhesion speed of the bubble and the most stable bubble adhesion. Proportions of OA:DD above 1:3 promote self-aggregation of polar collectors, leading to a worsened spreading of the oil film. Conversely, proportions below 1:3 result in weak interaction with LRC, leading to a smaller spreading area and reduced hydrophobicity. Ultimately, we propose the LRC–compound collector matching principle, which suggests that the best proportion of compound collectors fits well with the oxygen-containing sites on the LRC surface.
Natural Experiment on the Extraction and Quenching of Rapakivi-like Magmas: Traces of Interaction with the Mafic Melts and Their Derivatives, Salmi Batholith (Karelia, Russia)
Authors: Konyshev Artem
Published: April 2023

The origin of the anorthosite-rapakivi granite-bearing rock complexes was a topic of research for geologists for more than a century. Magmatic systems that produce these complexes were widely developed in the Precambrian and have no direct analogues in modern times. The main goal of this study was to characterize the conditions under which primitive granitoids formed and to shed light on the history of ore matter transport during these stages. The object of the research was granite porphyry dikes—a subeffusive analogue of rapakivi granite from the Salmi batholith in the Fennoscandian Shield. Characteristic solid-phase inclusions of a mineral paragenesis of mafic rocks, as well as inclusions of sulfide melts, were found in zircon from this type of rock. These sulfide inclusions were homogenized by heating, and subsequently, the trace element composition was determined by the LA-ICP-MS method. The geochemistry of zircons was studied by the SIMS method, and the temperature of their formation was determined using a Ti-geothermometer. The temperature of the studied zircon grain formation varied from 925 to 765 °C. The values of ƒO2 for the early stages of the rock formation were in the region below the boundary of the FMQ buffer. The presence of two sulfide melts at the time at which the sulfide inclusions were captured by the zircon, pyrrhotite-chalcopyrite, and sphalerite-chalcopyrite compositions was established. The capture of sulfide inclusions from the pyrrhotite-chalcopyrite composition occurred above 841 °C, while in sphalerite-chalcopyrite, they occurred at a lower temperature of 765 °C. The connection between the formation of granite porphyry with mafic melts that form rocks of the gabbro and anorthosite types was established.
Self-Organizing Maps Analysis of Chemical–Mineralogical Gold Ore Characterization in Support of Geometallurgy
Authors: Costa Fabrizzio Rodrigues , Carneiro Cleyton de Carvalho , Ulsen Carina
Published: April 2023

Few studies have been published on the analysis and correlation of data from process mineralogical studies of gold ore employing artificial neural networks (ANNs). This study aimed to analyse and investigate the correlations obtained by the technological characterization of auriferous ore using an ANN called self-organizing map (SOM) to support geometallurgical studies. The SOM is a data analysis technique in which patterns and relationships within a database are internally derived and the outputs are visual, assisting in the understanding of data in the representation of 2D maps. In the representation generated, it was possible to establish that the variables of accessibility, exposed perimeter, median gold grain diameter (D50), and SiO2 and arsenic contents have strong positive correlations. Regarding geometallurgy, this study shows that SOM can identify large-scale spatial chemical–mineralogical gold ore patterns, which can help define the most relevant indicator variables for mineral processing.
Inhibitory Potential of the Ocimum sanctum Phytochemicals on Bruton’s Tyrosine Kinase, a Well-Known Drug Target for Treatment of Chronic Lymphocytic Leukemia: An In Silico Investigation
Authors: Mir Shabir Ahmad , Madkhali Yahya , Firoz Ahmad , Al Othaim Ayoub , Alturaiki Wael , Almalki Sami G. , Algarni Abdulrahman , Alsagaby Suliman A.
Published: April 2023

Chronic lymphocytic leukemia (CLL) is an incurable neoplasm of B-lymphocytes, which accounts for about one-third of all leukemias. Ocimum sanctum, an herbaceous perennial, is considered as one of the important sources of drugs for the treatment of various diseases, including cancers and autoimmune diseases. The present study was designed to screen various phytochemicals of O. sanctum for discovering their potential to inhibit Bruton’s tyrosine kinase (BTK), a well-known drug target of CLL. Various phytochemicals of O. sanctum were screened for their potential to inhibit BTK using several in silico protocols. First, the molecular docking approach was used to calculate the docking scores of the selected phytochemicals. Then, the selected top-ranked phytochemicals were screened for their physicochemical characteristics using ADME analysis. Finally, the stability of the selected compounds in their corresponding docking complexes with BTK was analysed using molecular dynamics simulations. Primarily, our observations revealed that, out of the 46 phytochemicals of O. sanctum, six compounds possessed significantly better docking scores (ranging from −9.2 kcal/mol to −10 kcal/mol). Their docking scores were comparable to those of the control inhibitors, acalabrutinib (−10.3 kcal/mol), and ibrutinib (−11.3 kcal/mol). However, after ADME analysis of these top-ranked six compounds, only three compounds (Molludistin, Rosmarinic acid, and Vitexin) possessed drug likeliness characteristics. During the MD analysis, the three compounds Molludistin, Rosmarinic acid, and Vitexin were found to remain stable in the binding pocket in their corresponding docking complexes with BTK. Therefore, among the 46 phytochemicals of O. sanctum tested in this study, the three compounds, Molludistin, Rosmarinic acid, and Vitexin are the best inhibitors of BTK. However, these findings need to be confirmed by biological experiments in the laboratory.
Unearthing of the Antidiabetic Potential of Aqueous Extract of Solanum betaceum Cav. Leaves
Authors: Martins Raquel , Fernandes Fátima , Valentão Patrícia
Published: April 2023

Solanum betaceum Cav., commonly known as tamarillo or Brazilian tomato, belongs to the Solanaceae family. Its fruit is used in traditional medicine and food crops due to its health benefits. Despite the numerous studies involving the fruit, there is no scientific knowledge about the tamarillo tree leaves. In this work, the phenolic profile of aqueous extract obtained from S. betaceum leaves was unveiled for the first time. Five hydroxycinnamic phenolic acids were identified and quantified, including 3-O-caffeoylquinic acid, 4-O-caffeoylquinic acid, chlorogenic acid, caffeic acid and rosmarinic acid. While the extract displayed no effect on α-amylase, the extract inhibited the activity of α-glucosidase (IC50 = 1617 mg/mL), and it was particularly effective for human aldose reductase (IC50 = 0.236 mg/mL): a key enzyme in glucose metabolism. Moreover, the extract exhibited interesting antioxidant properties, such as a potent capacity to intercept the in vitro-generated reactive species O2•− (IC50 = 0.119 mg/mL) and •NO (IC50 = 0.299 mg/mL), as well as to inhibit the first stages of lipid peroxidation (IC50 = 0.080 mg/mL). This study highlights the biological potential of S. betaceum leaves. The scarcity of research on this natural resource underscores the need for additional studies in order to fully explore its antidiabetic properties and to promote the value of a species currently at risk of extinction.
Design, Synthesis, In Vitro, and In Silico Insights of 5-(Substituted benzylidene)-2-phenylthiazol-4(5H)-one Derivatives: A Novel Class of Anti-Melanogenic Compounds
Authors: Yoon Dahye , Kang Min Kyung , Jung Hee Jin , Ullah Sultan , Lee Jieun , Jeong Yeongmu , Noh Sang Gyun , Kang Dongwan , Park Yujin , Chun Pusoon , Chung Hae Young , Moon Hyung Ryong
Published: April 2023

(Z)-5-Benzylidene-2-phenylthiazol-4(5H)-one ((Z)-BPT) derivatives were designed by combining the structural characteristics of two tyrosinase inhibitors. The double-bond geometry of trisubstituted alkenes, (Z)-BPTs 1–14, was determined based on the 3JC,Hβ coupling constant of 1H-coupled 13C NMR spectra. Three (Z)-BPT derivatives (1–3) showed stronger tyrosinase inhibitory activities than kojic acid; in particular, 2 was to be 189-fold more potent than kojic acid. Kinetic analysis using mushroom tyrosinase indicated that 1 and 2 were competitive inhibitors, whereas 3 was a mixed-type inhibitor. The in silico results revealed that 1–3 could strongly bind to the active sites of mushroom and human tyrosinases, supporting the kinetic results. Derivatives 1 and 2 decreased the intracellular melanin contents in a concentration-dependent manner in B16F10 cells, and their anti-melanogenic efficacy exceeded that of kojic acid. The anti-tyrosinase activity of 1 and 2 in B16F10 cells was similar to their anti-melanogenic effects, suggesting that their anti-melanogenic effects were primarily owing to their anti-tyrosinase activity. Western blotting of B16F10 cells revealed that the derivatives 1 and 2 inhibited tyrosinase expression, which partially contributes to their anti-melanogenic ability. Several derivatives, including 2 and 3, exhibited potent antioxidant activities against ABTS cation radicals, DPPH radicals, ROS, and peroxynitrite. These results suggest that (Z)-BPT derivatives 1 and 2 have promising potential as novel anti-melanogenic agents.
New Insight into the Reactivity of S,S-Bis-ylide
Authors: Authesserre Ugo , Swamy V. , Saffon-Merceron Nathalie , Baceiredo Antoine , Kato Tsuyoshi , Maerten Eddy
Published: April 2023

The present work focuses on the reactivity of S,S-bis-ylide 2, which presents a strong nucleophilic character, as evidenced by reactions with methyl iodide and CO2, affording C-methylated salts 3 and betaine 4, respectively. The derivatization of betaine 4 affords the corresponding ester derivative 6, which is fully characterized by using NMR spectroscopy and X-ray diffraction analysis. Furthermore, an original reaction with phosphenium ions leads to the formation of a transient push–pull phosphino(sulfonio)carbene 8, which rearranges to give stabilized sulfonium ylide derivative 7.
Effect of Different Accumulative Temperate Zones in Heilongjiang on Glycine Soja Metabolites as Analyzed by Non-Target Metabolomics
Authors: Bao Guofeng , Mu Liqiang , Wang Ying
Published: April 2023

To study the effect of growth temperature on the nutritional components and metabolites of the wild soybean (Glycine soja), we analyzed the nutritional components and metabolic gases of the wild soybean in six accumulated temperature regions of the Heilongjiang Province, China, by gas chromatography–time-of-flight mass spectrometry (GC-TOF-MS). A total of 430 metabolites, including organic acids, organic oxides, and lipids, were identified and analyzed using multivariate statistical analysis, orthogonal partial least squares discriminant analysis, principal component analysis, and cluster analysis. Eighty-seven metabolites significantly differed in the sixth accumulated temperature region compared with the other five accumulated temperature regions. The 40 metabolites (such as threonine (Thr) and lysine (Lys)) were found to be elevated in soybeans from the sixth accumulated temperature zone compared with the other five accumulated temperature zones. Through analyzing the metabolic pathways of these metabolites, amino acid metabolism had the greatest influence on wild soybean quality. The results of the amino acid analysis were consistent with those of the GC-TOF-MS and showed that amino acids in wild soybeans from the sixth accumulated temperature zone significantly differed from those of the other zones. Threonine and lysine were the main substances driving these differences. The growth temperature affected the type and concentrations of metabolites in wild soybeans, and the GC-TOF-MS analysis of the effect of growth temperature on wild soybean metabolites was shown to be feasible.
Between the Devil and the Deep Blue Sea—Resveratrol, Sulfotransferases and Sulfatases—A Long and Turbulent Journey from Intestinal Absorption to Target Cells
Authors: Szymkowiak Izabela , Kucinska Malgorzata , Murias Marek
Published: April 2023

For nearly 30 years, resveratrol has attracted the scientific community’s interest. This has happened thanks to the so-called French paradox, that is, the paradoxically low mortality from cardiovascular causes in the French population despite a diet rich in saturated fat. This phenomenon has been linked to the consumption of red wine, which contains a relatively high level of resveratrol. Currently, resveratrol is valued for its versatile, beneficial properties. Apart from its anti-atherosclerotic activity, resveratrol’s antioxidant and antitumor properties deserve attention. It was shown that resveratrol inhibits tumour growth at all three stages: initiation, promotion, and progression. Moreover, resveratrol delays the ageing process and has anti-inflammatory, antiviral, antibacterial, and phytoestrogenic properties. These favorable biological properties have been demonstrated in vitro and in vivo in animal and human models. Since the beginning of the research on resveratrol, its low bioavailability, mainly due to its rapid metabolism, especially the first-pass effect that leaves almost no free resveratrol in the peripheral circulation, has been indicated as a drawback that has hindered its use. The elucidation of such issues as pharmacokinetics, stability, and the biological activity of resveratrol metabolites is therefore crucial for understanding the biological activity of resveratrol. Second-phase metabolism enzymes are mainly involved in RSV metabolism, e.g., UDP-glucuronyl transferases and sulfotransferases. In the present paper, we took a closer look at the available data on the activity of resveratrol sulfate metabolites and the role of sulfatases in releasing active resveratrol in target cells.
Simulation Study on Molecular Adsorption of Coal in Chicheng Coal Mine
Authors: Yan Jingxue , Jia Baoshan , Liu Baogang , Zhang Jinyi
Published: April 2023

To study the importance of the adsorption mechanism of methane (CH4) and carbon dioxide (CO2) in coal for coalbed methane development, we aimed to reveal the influence mechanism of adsorption pressure, temperature, gas properties, water content, and other factors on gas molecular adsorption behavior from the molecular level. In this study, we selected the nonsticky coal in Chicheng Coal Mine as the research object. Based on the coal macromolecular model, we used the molecular dynamics (MD) and Monte Carlo (GCMC) methods to simulate and analyze the conditions of different pressure, temperature, and water content. The change rule and microscopic mechanism of the adsorption amount, equal adsorption heat, and interaction energy of CO2 and CH4 gas molecules in the coal macromolecular structure model establish a theoretical foundation for revealing the adsorption characteristics of coalbed methane in coal and provide technical support for further improving coalbed methane extraction.
Metalorganic Chemical Vapor Deposition Approach to the Synthesis of Perovskite BaCeO3 and BaCe0.8Y0.2O3 Thin Films
Authors: Pellegrino Anna L. , Lo Presti Francesca , Malandrino Graziella
Published: April 2023

In the present energetic scenario, the development of materials with high potentiality in the technological fields of energy conversion processes, production and storage of hydrogen, are of great interest in the scientific community. In particular, we report for the first time the fabrication of crystalline and homogeneous barium-cerate-based materials in the form of thin films on various substrates. Starting from the β-diketonate precursor sources Ce(hfa)3diglyme, Ba(hfa)2tetraglyme and Y(hfa)3diglyme (Hhfa = 1,1,1,5,5,5-hexafluoroacetylacetone; diglyme = bis(2-methoxyethyl)ether; tetraglyme = 2,5,8,11,14-pentaoxapentadecane), a metalorganic chemical vapor deposition (MOCVD) approach has been successfully applied to the fabrication of BaCeO3 and doped BaCe0.8Y0.2O3 systems in the form of thin films. Structural, morphological and compositional analyses allowed for an accurate determination of the properties of deposited layers. The present approach represents a simple, easily scalable, and industrially appealing process for the production of compact and homogeneous barium cerate thin films.
Innovative Metrics for Reporting and Comparing the Glycan Structural Profile in Biotherapeutics
Authors: Mastrangeli Renato , Satwekar Abhijeet , Bierau Horst
Published: April 2023

Glycosylation is a critical quality attribute in biotherapeutics, impacting properties such as protein stability, solubility, clearance rate, efficacy, immunogenicity, and safety. Due to the heterogenic and complex nature of protein glycosylation, comprehensive characterization is demanding. Moreover, the lack of standardized metrics for evaluating and comparing glycosylation profiles hinders comparability studies and the establishment of manufacturing control strategies. To address both challenges, we propose a standardized approach based on novel metrics for a comprehensive glycosylation fingerprint which greatly facilitates the reporting and objective comparison of glycosylation profiles. The analytical workflow is based on a liquid chromatography–mass spectrometry-based multi-attribute method. Based on the analytical data, a matrix of glycosylation-related quality attributes, both at site-specific and whole molecule level, are computed, which provide metrics for a comprehensive product glycosylation fingerprint. Two case studies illustrate the applicability of the proposed indices as a standardized and versatile approach for reporting all dimensions of the glycosylation profile. The proposed approach further facilitates the assessments of risks associated with changes in the glycosylation profile that may affect efficacy, clearance, and immunogenicity.
Effect of Microencapsulated Basil Extract on Cream Cheese Quality and Stability
Authors: Popescu Liliana , Cojocari Daniela , Lung Ildiko , Kacso Irina , Ciorîţă Alexandra , Ghendov-Mosanu Aliona , Balan Greta , Pintea Adela , Sturza Rodica
Published: April 2023

The antimicrobial and antioxidant effects of plant extracts are well known, but their use is limited because they affect the physicochemical and sensory characteristics of products. Encapsulation presents an option to limit or prevent these changes. The paper presents the composition of individual polyphenols (HPLC–DAD-ESI-MS) from basil (Ocimum basilicum L.) extracts (BE), and their antioxidant activity and inhibitory effects against strains of Staphylococcus aureus, Geobacillus stearothermophilus, Bacillus cereus, Candida albicans, Enterococcus faecalis, Escherichia coli, and Salmonella Abony. The BE was encapsulated in sodium alginate (Alg) using the drop technique. The encapsulation efficiency of microencapsulated basil extract (MBE) was 78.59 ± 0.01%. SEM and FTIR analyses demonstrated the morphological aspect of the microcapsules and the existence of weak physical interactions between the components. Sensory, physicochemical and textural properties of MBE-fortified cream cheese were evaluated over a 28-day storage time at 4 °C. In the optimal concentration range of 0.6–0.9% (w/w) MBE, we determined the inhibition of the post-fermentation process and the improvement in the degree of water retention. This led to the improvement of the textural parameters of the cream cheese, contributing to the extension of the shelf life of the product by 7 days.
Preparation of Polyoxometalate-Based Composite by Solidification of Highly Active Cobalt-Containing Polytungstate on Polymeric Ionic Liquid for the Efficient Isolation of Proteinase K
Authors: Yang Jiaxuan , Chu Ning , Chen Xuwei
Published: April 2023

A novel porous polyoxometalate (POM)-based composite (Co4PW–PDDVAC) was prepared via the solidification of water-soluble polytungstate (Co4PW) on the polymeric ionic liquid dimethyldodecyl-4-polyethylene benzyl ammonium chloride (PDDVAC) via a cation-exchange reaction. The solidification was confirmed by EDS, SEM, FT-IR, TGA, and so on. The strong covalent coordination and hydrogen-bonding interaction between the highly active Co2+ of the Co4PW and the aspartic acid residues of proteinase K endowed the obtained Co4PW–PDDVAC composite with excellent proteinase K adsorption properties. Thermodynamic investigations indicate that the adsorption behavior of proteinase K was consistent with the linear Langmuir isothermal model, giving an adsorption capacity as high as 1428 mg g−1. The Co4PW–PDDVAC composite was applied in the selective isolation of highly active proteinase K from Tritirachium album Limber crude enzyme fluid.
Chiral Separation of Apremilast by Capillary Electrophoresis Using Succinyl-β-Cyclodextrin—Reversal of Enantiomer Elution Order by Cationic Capillary Coating
Authors: Szabó Zoltán-István , Benkő Beáta-Mária , Bartalis-Fábián Ágnes , Iványi Róbert , Varga Erzsébet , Szőcs Levente , Tóth Gergő
Published: April 2023

A stereospecific capillary electrophoresis method was developed for the separation of the novel, antipsoriatic agent, apremilast (APR). Six anionic cyclodextrin (CD) derivatives were screened for their ability to discriminate between the uncharged enantiomers. Only succinyl-β-CD (Succ-β-CD) presented chiral interactions; however, the enantiomer migration order (EMO) was unfavorable, and the eutomer, S-APR, migrated faster. Despite the optimization of all possible parameters (pH, cyclodextrin concentration, temperature, and degree of substitution of CD), the method was unsuccessful for purity control due to the low resolution and the unfavorable enantiomer migration order. Changing the direction of electroosmotic flow (EOF) by the dynamic coating of the inner surface of the capillary with poly(diallyldimethylammonium) chloride or polybrene resulted in EMO reversal, and the developed method could be applied for the determination of R-APR as the enantiomeric purity. Thus, the application of the dynamic capillary coating offers a general opportunity for enantiomeric migration order reversal in particular cases when the chiral selector is a weak acid.
In Vitro α-Amylase and α-Glucosidase Inhibitory Effects, Antioxidant Activities, and Lutein Content of Nine Different Cultivars of Marigold Flowers (Tagetes spp.)
Authors: Parklak Wason , Ounjaijean Sakaewan , Kulprachakarn Kanokwan , Boonyapranai Kongsak
Published: April 2023

Marigolds (Tagetes spp.) are major sources of bioactive compounds. The flowers are used to treat a variety of illnesses and have both antioxidant and antidiabetic effects. However, marigolds exhibit a wide range of genetic variations. Because of this, both the bioactive compounds and biological activities of the plants differ between cultivars. In the present study, nine marigold cultivars grown in Thailand were evaluated for their bioactive compound content, as well as for their antioxidant and antidiabetic activities, using spectrophotometric methods. The results showed that the Sara Orange cultivar possessed the highest total carotenoid content (431.63 mg/100 g). However, Nata 001 (NT1) had the highest amount of total phenolic compounds (161.17 mg GAE/g), flavonoids (20.05 mg QE/g), and lutein (7.83 mg/g), respectively. NT1 exhibited strong activities against the DPPH radical and ABTS radical cation, and had the highest FRAP value as well. Moreover, NT1 demonstrated the most significant (p < 0.05) α-amylase and α-glucosidase inhibitory effects (IC50 values of 2.57 and 3.12 mg/mL, respectively). The nine marigold cultivars had reasonable correlations between lutein content and the capacity to inhibit α-amylase and α-glucosidase activities. Hence, NT1 may be a good source of lutein; it may also be beneficial in both functional food production and medical applications.
Flowers Like α-MoO3/CNTs/PANI Nanocomposites as Anode Materials for High-Performance Lithium Storage
Authors: Kiran Laraib , Aydınol Mehmet Kadri , Ahmad Awais , Shah Syed Sakhawat , Bahtiyar Doruk , Shahzad Muhammad Imran , Eldin Sayed M. , Bahajjaj Aboud Ahmed Awadh
Published: April 2023

Lithium-ion batteries (LIBs) have been explored to meet the current energy demands; however, the development of satisfactory anode materials is a bottleneck for the enhancement of the electrochemical performance of LIBs. Molybdenum trioxide (MoO3) is a promising anode material for lithium-ion batteries due to its high theoretical capacity of 1117 mAhg−1 along with low toxicity and cost; however, it suffers from low conductivity and volume expansion, which limits its implementation as the anode. These problems can be overcome by adopting several strategies such as carbon nanomaterial incorporation and polyaniline (PANI) coating. Co-precipitation method was used to synthesize α-MoO3, and multi-walled CNTs (MWCNTs) were introduced into the active material. Moreover, these materials were uniformly coated with PANI using in situ chemical polymerization. The electrochemical performance was evaluated by galvanostatic charge/discharge, cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). XRD analysis revealed the presence of orthorhombic crystal phase in all the synthesized samples. MWCNTs enhanced the conductivity of the active material, reduced volume changes and increased contact area. MoO3-(CNT)12% exhibited high discharge capacities of 1382 mAhg−1 and 961 mAhg−1 at current densities of 50 mAg−1 and 100 mAg−1, respectively. Moreover, PANI coating enhanced cyclic stability, prevented side reactions and increased electronic/ionic transport. The good capacities due to MWCNTS and the good cyclic stability due to PANI make these materials appropriate for application as the anode in LIBs.
Novel Crown Ether Amino Acids as Fluorescent Reporters for Metal Ions
Authors: Batista Patrícia M. R. , Martins Cátia D. F. , Raposo M. Manuela M. , Costa Susana P. G.
Published: April 2023

Unnatural amino acids with enhanced properties, such as increased complexing ability and luminescence, are considered to be highly attractive building blocks for bioinspired frameworks, such as probes for biomolecule dynamics, sensitive fluorescent chemosensors, and peptides for molecular imaging, among others. Therefore, a novel series of highly emissive heterocyclic alanines bearing a benzo[d]oxazolyl unit functionalized with different heterocyclic π-spacers and (aza)crown ether moieties was synthesized. The new compounds were completely characterized using the usual spectroscopic techniques and evaluated as fluorimetric chemosensors in acetonitrile and aqueous mixtures in the presence of various alkaline, alkaline-earth, and transition metal ions. The different crown ether binding moieties as well as the electronic nature of the π-bridge allowed for fine tuning of the sensory properties of these unnatural amino acids towards Pd2+ and Fe3+, as seen by spectrofluorimetric titrations.
Isolation of Two New Phenolic Glycosides from Castanopsis chinensis Hance by Combined Multistep CC and HSCCC Separation and Evaluation of Their Antioxidant Activity
Authors: Wang Ya-Feng , Lin Ping , Huang Yong-Lin , He Rui-Jie , Yang Bing-Yuan , Liu Zhang-Bin
Published: April 2023

The characteristics of high polarity and susceptibility to oxidation in phenolic glycosides increase the difficulty of their separation from natural products. In the present study, two new phenolic glycosides with similar structures were isolated from Castanopsis chinensis Hance using a combination of multistep CC and high-speed countercurrent chromatography. Preliminary separation of the target fractions was carried out by Sephadex LH-20 chromatography (100–0% EtOH in H2O). High-speed countercurrent chromatography with an optimized solvent system of N-Hexane/Ethyl acetate/Methanol/Water (1:6:3:4, v/v/v/v) with a satisfactory stationary phase retention and separation factor was used for further separation and purification of the phenolic glycosides. Consequently, two new phenolic glycoside compounds were obtained with purities of 93.0% and 95.7%. 1D-NMR and 2D-NMR spectroscopy, mass spectrometry, and optical rotation were employed to identify their structures, which were assigned as chinensin D and chinensin E. The antioxidant and α-glucosidase inhibitory activities of these two compounds were evaluated using a DPPH antioxidant assay and a α-glucosidase inhibitory assay. Both compounds showed good antioxidant activity with IC50 values of 54.5 ± 0.82 µg/mL and 52.5 ± 0.47 µg/mL. The α-glucosidase inhibitory activity of the compounds was poor. The successful isolation and structure identification of the two new compounds provides materials not only for a systematic isolation method of phenolic glycosides with similar structures, but also for the screening of antioxidants and enzyme inhibitors.
Molecular Dynamics Simulation of Helium Barrier Performance of Modified Polyamide 6 Lining of IV Hydrogen Storage Tank with Montmorillonite
Authors: Wu Ping , Zhang Jiaming , Yang Zhenhan , Zhao Jianping
Published: April 2023

In order to investigate the type IV hydrogen storage bottle with better hydrogen storage capacity, the polymer lining of the hydrogen storage bottle was further developed. In this paper, the molecular dynamics method was used to simulate the helium adsorption and diffusion processes within a modified montmorillonite (OMMT)-filled polyamide 6 (PA6) system. The effects of the barrier properties of the composites were investigated at different filler contents (3%, 4%, 5%, 6% and 7%), different temperatures (288 K and 328 K) and different pressures (0.1 MPa, 41.6 MPa, 52 MPa and 60 MPa) for certain contents. It was found that when the filler content was 5%, the permeability coefficient of the material was lower than 2 × 10−13 cm3∙cm/(cm2∙s∙Pa) and the barrier performance was the best. The modified filler with 5% OMMT/PA6 at 328 K still had the strongest barrier performance. When the pressure increased, the permeability coefficient of the modified material first decreased and then increased. In addition to this, the effect of the fractional free volume on the barrier properties of the materials was also investigated. This study provides a basis and reference for the selection and preparation of polymer linings for high-barrier hydrogen storage cylinders.
A Multifunctional Coating on Sulfur-Containing Carbon-Based Anode for High-Performance Sodium-Ion Batteries
Authors: Zhu Lin , Yin Bo , Zhang Yuting , Wu Qian , Xu Hongqiang , Duan Haojie , Shi Meiqin , He Haiyong
Published: April 2023

A sulfur doping strategy has been frequently used to improve the sodium storage specific capacity and rate capacity of hard carbon. However, some hard carbon materials have difficulty in preventing the shuttling effect of electrochemical products of sulfur molecules stored in the porous structure of hard carbon, resulting in the poor cycling stability of electrode materials. Here, a multifunctional coating is introduced to comprehensively improve the sodium storage performance of a sulfur-containing carbon-based anode. The physical barrier effect and chemical anchoring effect contributed by the abundant C-S/C-N polarized covalent bond of the N, S-codoped coating (NSC) combine to protect SGCS@NSC from the shuttling effect of soluble polysulfide intermediates. Additionally, the NSC layer can encapsulate the highly dispersed carbon spheres inside a cross-linked three-dimensional conductive network, improving the electrochemical kinetic of the SGCS@NSC electrode. Benefiting from the multifunctional coating, SGCS@NSC exhibits a high capacity of 609 mAh g−1 at 0.1 A g−1 and 249 mAh g−1 at 6.4 A g−1. Furthermore, the capacity retention of SGCS@NSC is 17.6% higher than that of the uncoated one after 200 cycles at 0.5 A g−1.
Electrodeposition of High-Quality Ni/SiC Composite Coatings by Using Binary Non-Ionic Surfactants
Authors: Rao Han , Li Weiping , Zhao Fuzhen , Song Yongfa , Liu Huicong , Zhu Liqun , Chen Haining
Published: April 2023

In order to increase the hardness, wear resistance and corrosion resistance of nickel-based coatings, pure nickel is often co-electrodeposited with silicon carbide (SiC) particles. However, SiC particles tend to agglomerate and precipitate in the bath, which reduces the amounts of nanoparticles and causes nonuniformity. Herein, we solve these problems by using binary non-ionic surfactants (Span 80 and Tween 60) to effectively disperse SiC particles (binary-SiC) in the bath, which suppresses nanoparticles agglomeration and leads to uniformly distributed SiC particles in the composite coatings. In comparison to the Ni/SiC coatings electrodeposited from the commonly used SDS-modified SiC, the coatings prepared with binary-SiC (Ni/binary-SiC) show finer crystallization and a smoother surface. In addition, the Ni/binary-SiC coatings exhibit higher hardness (556 Hv) and wear resistance (2.95 mg cm−2). Furthermore, higher corrosion resistance is also achieved by the Ni/binary-SiC coatings.