bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of Hypoglycemic Activity and Sub-Acute Toxicity of the Novel Biochanin A–Chromium(III) Complex
Authors: Li Pengshou , Li Mengdan , Lou Xinhua , Zhao Baosheng , Ma Qixiang , Bian Yumiao , Mi Xiliang
Published: September 2022

The novel biochanin A–chromium(III) complex was synthesized by chelating chromium with biochanin A (BCA). The structure of the complex was determined and the complex ([CrBCA3]) was composed of chromium(III) and three ligands, and the chromium content was 55 μg/mg. The hypoglycemic activity of the complex was studied in db/db mice and C57 mice. The sub-acute toxicity test of the complex was carried out by the maximum limit method in KM mice. The hypoglycemic activity showed that the complex could reduce the weight of db/db mice and lower the fasting blood glucose and random blood glucose levels. The complex also improved the organ index, oral glucose tolerance test (OGTT) and insulin tolerance test (ITT) results of db/db mice, and some of the indicators were similar to those of the positive control group after treatment with the complex. The histopathology study showed significant improvements in the liver, kidney, pancreas and skeletal muscle compared with the diabetes model group. The complex also showed a significant improvement in serum biochemical indices and antioxidant enzyme activities, as well as glycogen levels. The sub-acute toxicity study showed that the complex did not cause death or any dangerous symptoms during the study. In addition, the sub-acute toxicity study showed that the complex had no significant effect on the serum biochemical indices, antioxidant capacity and organs of normal mice. This study showed that [CrBCA3] had good hypoglycemic activity in vivo and had no sub-acute toxicity. This work provides an important reference for the development of functional hypoglycemic foods or drugs.
Chemical Composition Assessment of Structural Parts (Seeds, Peel, Pulp) of Physalis alkekengi L. Fruits
Authors: Popova Venelina , Petkova Zhana , Mazova Nadezhda , Ivanova Tanya , Petkova Nadezhda , Stoyanova Magdalena , Stoyanova Albena , Ercisli Sezai , Okcu Zuhal , Skrovankova Sona , Mlcek Jiri
Published: September 2022

In recent years there has been an extensive search for nature-based products with functional potential. All structural parts of Physalis alkekengi (bladder cherry), including fruits, pulp, and less-explored parts, such as seeds and peel, can be considered sources of functional macro- and micronutrients, bioactive compounds, such as vitamins, minerals, polyphenols, and polyunsaturated fatty acids, and dietetic fiber. The chemical composition of all fruit structural parts (seeds, peel, and pulp) of two phenotypes of P. alkekengi were studied. The seeds were found to be a rich source of oil, yielding 14–17%, with abundant amounts of unsaturated fatty acids (over 88%) and tocopherols, or vitamin E (up to 5378 mg/kg dw; dry weight). The predominant fatty acid in the seed oils was linoleic acid, followed by oleic acid. The seeds contained most of the fruit’s protein (16–19% dw) and fiber (6–8% dw). The peel oil differed significantly from the seed oil in fatty acid and tocopherol composition. Seed cakes, the waste after oil extraction, contained arginine and aspartic acid as the main amino acids; valine, phenylalanine, threonine, and isoleucine were present in slightly higher amounts than the other essential amino acids. They were also rich in key minerals, such as K, Mg, Fe, and Zn. From the peel and pulp fractions were extracted fruit concretes, aromatic products with specific fragrance profiles, of which volatile compositions (GC-MS) were identified. The major volatiles in peel and pulp concretes were β-linalool, α-pinene, and γ-terpinene. The results from the investigation substantiated the potential of all the studied fruit structures as new sources of bioactive compounds that could be used as prospective sources in human and animal nutrition, while the aroma-active compounds in the concretes supported the plant’s potential in perfumery and cosmetics.
Silver Nanoparticles Incorporated on Natural Clay as an Inhibitor against the New ISO SS Bacteria Isolated from Sewage Sludge, Involved in Malachite Green Dye Oxidation
Authors: Diana-Carmen Mirila , Dumitra Raducanu , Ana-Maria Georgescu , Ana-Maria Rosu , Andrei Ciubotariu Vlad , Valentin Zichil , Ileana-Denisa Nistor
Published: September 2022

A facile, ecofriendly, and cost-effective method was developed to prepare a microporous material based on natural chemically modified bentonite with silver ions (BN-Ag0). This material presents a good catalytic activity against Malachite Green (MG) dye and bacteriostatic activity against a newly isolated bacterium from sewage sludge named hereafter “ISO SS” and Escherichia coli (E. coli). BN-Ag0 was characterized by the following methods: energy-dispersive X-ray spectroscopy (EDX), scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET), Fourier-transform infrared (FTIR) spectroscopy, temperature programmed desorption (TPD) and X-ray Diffraction (XRD). The new bacterium ISO SS, was isolated using the technique of isolating a pure culture of anaerobically stabilized sludge. A mandatory characterization of ISO SS isolated strains from anaerobic stabilized sludge was performed in the process of identifying bacterial species. The cationic clay-based nanomaterial showed appreciable antibacterial activity against ISO SS, a Gram-negative bacterium. It also showed good activity against E. coli bacteria. As a catalyst in the catalytic ozonation of MG dye, BN-Ag0 significantly improves the oxidation time of the dye, due to its good adsorption and catalytic properties. The catalytic and antibacterial activities of the natural bentonite (BN) and of BN-Ag0 were examined using performant characterization techniques. The lifetime of the BN-Ag0 catalyst was also evaluated. Results obtained are expected to provide valuable findings for the preparation of a good microporous material with multiple functionalities.
Integration of Metabolomics and Transcriptomics Reveal the Mechanism Underlying Accumulation of Flavonols in Albino Tea Leaves
Authors: Zhang Qunfeng , Li Chunlei , Jiao Zixin , Ruan Jianyun , Liu Mei-Ya
Published: September 2022

Albino tea plants (Camellia sinensis) have been reported to possess highly inhibited metabolism of flavonoids compared to regular green tea leaves, which improves the quality of the tea made from these leaves. However, the mechanisms underlying the metabolism of catechins and flavonols in albino tea leaves have not been well elucidated. In this study, we analyzed a time series of leaf samples in the greening process from albino to green in a thermosensitive leaf-color tea mutant using metabolomics and transcriptomics. The total content of polyphenols dramatically decreased, while flavonols (such as rutin) were highly accumulated in albino leaves compared to in green leaves. After treatment with increasing environment temperature, total polyphenols and catechins were increased in albino mutant tea leaves; however, flavonols (especially ortho-dihydroxylated B-rings such as rutin) were decreased. Meanwhile, weighted gene co-expression network analysis of RNA-seq data suggested that the accumulation of flavonols was highly correlated with genes related to reactive oxygen species scavenging. Histochemical localization further demonstrated that this specific accumulation of flavonols might be related to their biological functions in stress tolerance. These findings suggest that the temperature-stimulated accumulation of total polyphenols and catechins in albino mutant tea leaves was highly induced by enhanced photosynthesis and accumulation of its products, while the initial accumulation and temperature inhibition of flavonols in albino mutant tea leaves were associated with metabolism related to oxidative stress. In conclusion, our results indicate that the biosynthesis of flavonoids could be driven by many different factors, including antioxidation and carbon skeleton storage, under favorable and unfavorable circumstances, respectively. This work provides new insights into the drivers of flavonoid biosynthesis in albino tea leaves, which will further help to increase tea quality by improving cultivation measures.
Assessment of AI-Based Protein Structure Prediction for the NLRP3 Target
Authors: Yin Jian , Lei Junkun , Yu Jialin , Cui Weiren , Satz Alexander L. , Zhou Yifan , Feng Hua , Deng Jason , Su Wenji , Kuai Letian
Published: September 2022

The recent successes of AlphaFold and RoseTTAFold have demonstrated the value of AI methods in highly accurate protein structure prediction. Despite these advances, the role of these methods in the context of small-molecule drug discovery still needs to be thoroughly explored. In this study, we evaluated whether the AI-based models can reliably reproduce the three-dimensional structures of protein–ligand complexes. The structure we chose was NLRP3, a challenging protein target in terms of obtaining a three-dimensional model both experimentally and computationally. The conformation of the binding pockets generated by the AI models was carefully characterized and compared with experimental structures. Further molecular docking results indicated that AI-predicted protein structures combined with molecular dynamics simulations offers a promising approach in small-molecule drug discovery.
Production of Mesoglycan/PCL Based Composites through Supercritical Impregnation
Authors: Liparoti Sara , Mottola Stefania , Viscusi Gianluca , Belvedere Raffaella , Petrella Antonello , Gorrasi Giuliana , Pantani Roberto , De Marco Iolanda
Published: September 2022

The development of targeted therapies for wound repair is knowing a growing interest due to the increasing aging of the population and the incidence of chronic pathologies, mainly pressure ulcers. Among molecules recruiting cell populations and promoting the formation of new vital tissue, sodium mesoglycan (MSG) has been proven to be effective in wound healing. In this work, MSG impregnation of polymer matrices has been attempted by a supercritical carbon dioxide-based process. Polymeric matrices are composed of polycaprolactone blends, where water-soluble polymers, polyethylene glycol, polyvinyl pyrrolidone, gelatin, and thermoplastic starch, have been employed to modulate the MSG release, making the devices potentially suitable for topical administrations. Two different techniques have been used to obtain the films: the first one is compression molding, producing compact and continuous structures, and the second one is electrospinning, producing membrane-like designs. A higher amount of MSG can be loaded into the polymeric matrix in the membrane-like structures since, in these films, the impregnation process is faster than in the case of compression molded films, where the carbon dioxide has firstly diffused and then released the active molecule. The type of water-soluble polymer influences the drug release rate: the blend polycaprolactone-gelatin gives a prolonged release potentially suitable for topical administration.
Multicomponent Solar Cells with High Fill Factors and Efficiencies Based on Non-Fullerene Acceptor Isomers
Authors: Wang Qiuning , Hou Yiwen , Shi Shasha , Yang Tao , Huang Ciyuan , Yao Shangfei , Zhang Ziyang , Zhao Chenfu , Liu Yudie , Huang Hui , Wang Lihong , Zhao Chaoyue , Hao Minghui , Tian Ye , Zou Bingsuo , Zhang Guangye
Published: September 2022

Multicomponent organic solar cells (OSCs), such as the ternary and quaternary OSCs, not only inherit the simplicity of binary OSCs but further promote light harvesting and power conversion efficiency (PCE). Here, we propose a new type of multicomponent solar cells with non-fullerene acceptor isomers. Specifically, we fabricate OSCs with the polymer donor J71 and a mixture of isomers, ITCF, as the acceptors. In comparison, the ternary OSC devices with J71 and two structurally similar (not isomeric) NFAs (IT-DM and IT-4F) are made as control. The morphology experiments reveal that the isomers-containing blend film demonstrates increased crystallinity, more ideal domain size, and a more favorable packing orientation compared with the IT-DM/IT-4F ternary blend. The favorable orientation is correlated with the balanced charge transport, increased exciton dissociation and decreased bimolecular recombination in the ITCF-isomer-based blend film, which contributes to the high fill factor (FF), and thus the high PCE. Additionally, to evaluate the generality of this method, we examine other acceptor isomers including IT-M, IXIC-2Cl and SY1, which show same trend as the ITCF isomers. These results demonstrate that using isomeric blends as the acceptor can be a promising approach to promote the performance of multicomponent non-fullerene OSCs.
Evaluation of the Photocatalytic Properties of Copper Oxides/Graphene/TiO2 Nanoparticles Composites
Authors: Cosma Dragos , Urda Alexandra , Radu Teodora , Rosu Marcela C. , Mihet Maria , Socaci Crina
Published: September 2022

Easy and cost-efficient modifications of titanium dioxide nanoparticles that improve their efficiency in the visible light domain represent a continuous and challenging research topic. In addition, the effect of graphene on the overall photocatalytic process is still debated. Consequently, herein, we prepared a series of TiO2 nanoparticle-based composites with different copper oxide mass content (1–3%) and co-doped with graphene of different oxidation degrees. Different characterization techniques were used to analyze the structural and physico-chemical properties of the obtained composites: Scanning Electron Microscopy (SEM)/Transmission Electron Microscopy (TEM)/Energy-dispersive X-ray spectroscopy (EDX) analysis, X-ray powder diffraction (XRD), Fourier-transformed infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS). The photocatalytic performance was evaluated by the degradation of methylene blue under both UVA and visible light irradiation. The nanocomposites show very good photocatalytic activity independent of the presence of reduced graphene oxide, due to the Cu2O/CuO-TiO2 heterojunctions. This finding has been confirmed by the very efficient visible-light-driven degradation of amoxicillin and ciprofloxacin.
Enantioselective Cyclopropanation Catalyzed by Gold(I)-Carbene Complexes
Authors: Szabo Zita , Ben Ahmed Sophia , Nagy Zoltan , Paczal Attila , Kotschy Andras
Published: September 2022

The formation of polysubstituted cyclopropane derivatives in the gold(I)-catalyzed reaction of olefins and propargylic esters is a potentially useful transformation to generate diversity, therefore any method in which its stereoselectivity could be controlled is of significant interest. We prepared and tested a series of chiral gold(I)-carbene complexes as a catalyst in this transformation. With a systematic optimization of the reaction conditions, we were able to achieve high enantioselectivity in the test reaction while the cis:trans selectivity of the transformation was independent of the catalyst. Using the optimized conditions, we reacted a series of various olefins and acetylene derivatives to find that, although the reactions proceeded smoothly and the products were usually isolated in good yield and with good to exclusive cis selectivity, the observed enantioselectivity varied greatly and was sometimes moderate at best. We were unable to establish any structure-property relationship, which suggests that for any given reagent combination, one has to identify individually the best catalyst.
Construction of Magnetic Composite Bacterial Carrier and Application in 17β-Estradiol Degradation
Authors: Wu Sicheng , Hao Peng , Lv Zongshuo , Zhang Xiqing , Wang Lixia , Basang Wangdui , Zhu Yanbin , Gao Yunhang
Published: September 2022

Estrogen contamination is widespread and microbial degradation is a promising removal method; however, unfavorable environments can hinder microbial function. In this study, a natural estrogen 17β-estradiol (E2) was introduced as a degradation target, and a new combination of bacterial carrier was investigated. We found the best combination of polyvinyl alcohol (PVA) and sodium alginate (SA) was 4% total concentration, PVA:SA = 5:5, with nano-Fe3O4 at 2%, and maltose and glycine added to promote degradation, for which the optimal concentrations were 5 g·L−1 and 10 g·L−1, respectively. Based on the above exploration, the bacterial carrier was made, and the degradation efficiency of the immobilized bacteria reached 92.3% in 5 days. The immobilized bacteria were reused for three cycles, and the degradation efficiency of each round could exceed 94%. Immobilization showed advantages at pH 5, pH 11, 10 °C, 40 °C, and 40 g·L−1 NaCl, and the degradation efficiency of the immobilized bacteria was higher than 90%. In the wastewater, the immobilized bacteria could degrade E2 to about 1 mg·L−1 on the 5th day. This study constructed a bacterial immobilization carrier using a new combination, explored the application potential of the carrier, and provided a new choice of bacterial immobilization carrier.
Mechanism of Antifungal Action of Monoterpene Isoespintanol against Clinical Isolates of Candida tropicalis
Authors: Contreras Martínez Orfa Inés , Angulo Ortíz Alberto , Santafé Patiño Gilmar
Published: September 2022

The growing increase in infections by Candida spp., non-albicans, coupled with expressed drug resistance and high mortality, especially in immunocompromised patients, have made candidemia a great challenge. The efficacy of compounds of plant origin with antifungal potential has recently been reported as an alternative to be used. Our objective was to evaluate the mechanism of the antifungal action of isoespintanol (ISO) against clinical isolates of Candida tropicalis. Microdilution assays revealed fungal growth inhibition, showing minimum inhibitory concentration (MIC) values between 326.6 and 500 µg/mL. The eradication of mature biofilms by ISO was between 20.3 and 25.8% after 1 h of exposure, being in all cases higher than the effect caused by amphotericin B (AFB), with values between 7.2 and 12.4%. Flow cytometry showed changes in the permeability of the plasma membrane, causing loss of intracellular material and osmotic balance; transmission electron microscopy (TEM) confirmed the damage to the integrity of the plasma membrane. Furthermore, ISO induced the production of intracellular reactive oxygen species (iROS). This indicates that the antifungal action of ISO is associated with damage to membrane integrity and the induction of iROS production, causing cell death.
An Investigation of the Anti-Depressive Properties of Phenylpropanoids and Flavonoids in Hemerocallis citrina Baroni
Authors: Ma Tiancheng , Sun Yu , Wang Lida , Wang Jinyu , Wu Bo , Yan Tingxu , Jia Ying
Published: September 2022

The World Health Organization predicts that over the next several years, depression will become the most important mental health issue globally. Growing evidence shows that the flower buds of Hemerocallis citrina Baroni (H. citrina) possess antidepressant properties. In the search for new anti-depression drugs, a total of 15 phenylpropanoids and 22 flavonoids were isolated and identified based on spectral data (1D and 2D NMR, HR-ESI-MS, UV) from H. citrina. Among them, compound 8 was a novel compound, while compounds 1–4, 6, 9, 10, 15, 17, 24–26, 28, and 37 were isolated for the first time from Hemerocallis genus. To study the antidepressant activity of phenylpropanoids and flavonoids fractions from H. citrina, macroporous resin was used to enrich them under the guidance of UV characteristics. UHPLC-MS/MS was applied to identify the constituents of the enriched fractions. According to behavioral tests and biochemical analyses, it showed that phenylpropanoid and flavonoid fractions from H. citrina can improve the depressive-like mental state of chronic unpredictable mild stress (CUMS) rats. This might be accomplished by controlling the amounts of the inflammatory proteins IL-6, IL-1β, and TNF-α in the hippocampus as well as corticosterone in the serum. Thus, the monomer compounds were tested for their anti-neuroinflammatory activity and their structure–activity relationship was discussed in further detail.
A Simple Model to Estimate the Number of Metal Engineered Nanoparticles in Samples Using Inductively Coupled Plasma Optical Emission Spectrometry
Authors: Hendricks Nokwanda , Olatunji Olatunde , Gumbi Bhekumuzi
Published: September 2022

Accurate determination of the size and the number of nanoparticles plays an important role in many different environmental studies of nanomaterials, such as fate, toxicity, and occurrence in general. This work presents an accurate model that estimates the number of nanoparticles from the mass and molar concentration of gold nanoparticles (AuNPs) in water. Citrate-capped AuNPs were synthesized and characterized using transmission electron microscopy (TEM) and ultraviolet–visible spectroscopy (UV-vis). A mimic of environmental matrices was achieved by spiking sediments with AuNPs, extracted with leachate, and separated from the bulk matrix using centrifuge and phase transfer separation techniques. The quantification of AuNPs’ molar concentration on the extracted residues was achieved by inductively coupled plasma optical emission spectroscopy (ICP-OES). The molar concentrations, an average diameter of 27 nm, and the colloidal suspension volumes of AuNPs enable the calculation of the number of nanoparticles in separated residues. The plot of the number of AuNPs against the mass of AuNPs yielded a simple linear model that was used to estimate the number of nanoparticles in the sample using ICP-OES. According to the authors’ knowledge, this is the first adaptation of the gravimetric method to ICP-OES for estimating the number of nanoparticles after separation with phase transfer.
Regioselective Synthesis, Structural Characterization, and Antiproliferative Activity of Novel Tetra-Substituted Phenylaminopyrazole Derivatives
Authors: Lusardi Matteo , Profumo Aldo , Rotolo Chiara , Iervasi Erika , Rosano Camillo , Spallarossa Andrea , Ponassi Marco
Published: September 2022

A small library of highly functionalized phenylaminopyrazoles, bearing different substituents at position 1, 3, and 4 of the pyrazole ring, was prepared by the one-pot condensation of active methylene reagents, phenylisothiocyanate, and substituted hydrazine (namely, methyl- and benzyl-hydrazine). The identified reaction conditions proved to be versatile and efficient. Furthermore, the evaluation of alternative stepwise protocols affected the chemo- and regio-selectivity outcome of the one-pot procedure. The chemical identities of two N-methyl pyrazole isomers, selected as prototypes of the whole series, were unambiguously identified by means of NMR and mass spectrometry studies. Additionally, semiempirical calculations provided a structural rationale for the different chromatographic behavior of the two isomers. The prepared tetra-substituted phenylaminopyrazoles were tested in cell-based assays on a panel of cancer and normal cell lines. The tested compounds did not show any cytotoxic effect on the selected cell lines, thus supporting their pharmaceutical potentials.
Production of Bioactive Peptides from Baltic Herring (Clupea harengus membras): Dipeptidyl Peptidase-4 Inhibitory, Antioxidant and Antiproliferative Properties
Authors: Mäkinen Sari , Hiidenhovi Jaakko , Huang Xin , Lima Amanda dos Santos , Azevedo Luciana , Setälä Jari , Välimaa Anna-Liisa , Mattila Pirjo , Granato Daniel
Published: September 2022

This study aimed to produce bioactive protein hydrolysates from undervalued fish, namely Baltic herring, and its filleting by-products. Protein hydrolysates were produced with Alcalase and Flavourzyme to achieve effective hydrolysis. The hydrolysates were evaluated for chemical composition, molecular weight distribution, antioxidant capacity, dipeptidyl-peptidase 4 (DPP4) inhibitory activity, effects on cell proliferation and surface hydrophobicity. The protein content of the hydrolysates was high, from 86% to 91% (dm), while the fat content was low, from 0.3% to 0.4% (dm). The hydrolysates showed high DPP4 inhibition activities with IC50 values from 5.38 mg/mL to 7.92 mg/mL. The scavenging activity of the hydrolysates towards DPPH was low, but an intermediate Folin–Ciocalteu reducing capacity and Cu2+ chelating ability was observed. The solid phase extraction with Sep-Pak C18 cartridges increased the DPP4 inhibition activity and antioxidant capacity, indicating peptides’ crucial role in the bioactivities. The cytotoxicity of the hydrolysates was evaluated on the HCT8, IMR90, and A549 cell lines. The hydrolysates inhibited cell growth in the cancer and normal cells, although they did not reduce cell viability and were not lethal. Overall, our results indicate that protein hydrolysates from Baltic herring have potential as health-promoting foods and nutraceuticals, especially for enhancing healthy blood glucose regulation.
Morin-VitaminE-β-CyclodextrinInclusionComplexLoadedChitosanNanoparticles (M-Vit.E-CD-CSNPs) Ameliorate Arsenic-Induced Hepatotoxicityina Murine Model
Authors: Mondal Sanchaita , Das Sujata , Mahapatra Pradip Kumar , Saha Krishna Das
Published: September 2022

The special features of cyclodextrins (CDs), hydrophilic outer surfaces and hydrophobic inner surfaces, allow for development of inclusion complexes. The two bioactive strong antioxidant hepatoprotective compounds, Morin and vitamin E, are water insoluble. The present study aimed to prepare Morin-vitamin E-β-cyclodextrin inclusion complex loaded chitosan nanoparticles (M-Vit.E-CD-CS NPs) and to examine their hepatoprotective efficacy against arsenic-induced toxicity in a murine model. The NPs were characterized by FTIR, DLS, NMR, DSC, XRD, AFM, and a TEM study. The NPs were spherical in shape, 178 ± 1.5 nm in size with a polydispersity index (PDI) value of 0.18 and a zeta potential value of −22.4 ± 0.31 mV, with >50% encapsulation and drug loading efficacy. Mice were exposed to arsenic via drinking water, followed by treatment without or with the NPs on every alternate day up to 30 days by oral gavaging. Administration of NPs inhibited the arsenic-induced elevation of liver function markers, inflammatory and proapoptotic factors, reactive oxygen species (ROS) production, alteration in the level of blood parameters and antioxidant factors, and liver damage, which was measured by different biochemical assays, ELISA, Western blot, and histological study. Organ distribution of nanoparticles was measured by HPLC. M-Vit.E-CD-CS NPs showing potent hepatoprotective activity may be therapeutically beneficial.
Lactic Acid Bacteria Simultaneously Encapsulate Diverse Bioactive Compounds from a Fruit Extract and Enhance Thermal Stability
Authors: Dou Fang , Rai Rewa , Nitin Nitin
Published: September 2022

This study develops an innovative cell-based carrier to simultaneously encapsulate multiple phytochemicals from a complex plant source. Muscadine grapes (MG) juice prepared from fresh fruit was used as a model juice. After incubation with inactivated bacterial cells, 66.97% of the total anthocyanins, and 72.67% of the total antioxidant compounds were encapsulated in the cells from MG juice. Confocal images illustrated a uniform localization of the encapsulated material in the cells. The spectral emission scans indicated the presence of a diverse class of phenolic compounds, which was characterized using high-performance liquid chromatography (HPLC). Using HPLC, diverse phytochemical compound classes were analyzed, including flavanols, phenolic acid, hydroxycinnamic acid, flavonols, and polymeric polyphenols. The analysis validated that the cell carrier could encapsulate a complex profile of bioactive compounds from fruit juice, and the encapsulated content and efficiencies varied by the chemical class and compound. In addition, after the heat treatment at 90 °C for 60 min, >87% total antioxidant capacity and 90% anthocyanin content were recovered from the encapsulated MG. In summary, these results highlight the significant potential of a selected bacterial strain for simultaneous encapsulation of diverse phenolic compounds from fruit juice and improving their process stability.
Dissipation and Residue of Metalaxyl-M and Azoxystrobin in Scallions and Cumulative Risk Assessment of Dietary Exposure to Hepatotoxicity
Authors: Chai Yida , Liu Rong , Du Xiaoying , Yuan Longfei
Published: September 2022

Metalaxyl-M and azoxystrobin have been used to control various fungal diseases on scallion and other crops. In view of the adverse toxic effects of both on the mammalian liver, it is necessary to conduct a cumulative risk assessment of their dietary exposure to consumers. The residues of metalaxyl-M and azoxystrobin on scallion were determined by a quick, easy, cheap, effective, rugged, and safe method (QuEChERS) combined with high-performance liquid chromatography tandem mass spectrometry (LC-MS/MS). The half-lives were about 1.15 and 3.89 days, respectively, and the final residues after a seven-day harvest interval were <0.001–0.088 mg/kg and 0.190–4.687 mg/kg, respectively. The cumulative dietary risk quotient of the two fungicides to Chinese consumers calculated by the probability model is 13.94%~41.25%. According to the results of the contribution analysis, the risk posed by azoxystrobin is much greater than that of metalaxyl-M. Although metalaxyl-M and azoxystrobin do not pose a cumulative risk to Chinese consumers, the risk to children and adolescents is significantly higher than that to adults. This suggests that in future research, more consideration should be given to the cumulative risk of compounds to vulnerable groups.
The Static Magnetic Field Regulates the Structure, Biochemical Activity, and Gene Expression of Plants
Authors: Saletnik Bogdan , Saletnik Aneta , Słysz Ewelina , Zaguła Grzegorz , Bajcar Marcin , Puchalska-Sarna Anna , Puchalski Czesław
Published: September 2022

The purpose of this paper is to review the scientific results and summarise the emerging topic of the effects of statistic magnetic field on the structure, biochemical activity, and gene expression of plants. The literature on the subject reports a wide range of possibilities regarding the use of the magnetic field to modify the properties of plant cells. MFs have a significant impact on the photosynthesis efficiency of the biomass and vigour accumulation indexes. Treating plants with SMFs accelerates the formation and accumulation of reactive oxygen species. At the same time, the influence of MFs causes the high activity of antioxidant enzymes, which reduces oxidative stress. SMFs have a strong influence on the shape of the cell and the structure of the cell membrane, thus increasing their permeability and influencing the various activities of the metabolic pathways. The use of magnetic treatments on plants causes a higher content of proteins, carbohydrates, soluble and reducing sugars, and in some cases, lipids and fatty acid composition and influences the uptake of macro- and microelements and different levels of gene expression. In this study, the effect of MFs was considered as a combination of MF intensity and time exposure, for different varieties and plant species. The following article shows the wide-ranging possibilities of applying magnetic fields to the dynamics of changes in the life processes and structures of plants. Thus far, the magnetic field is not widely used in agricultural practice. The current knowledge about the influence of MFs on plant cells is still insufficient. It is, therefore, necessary to carry out detailed research for a more in-depth understanding of the possibilities of modifying the properties of plant cells and achieving the desired effects by means of a magnetic field.
The Application of Ultrasound in Honey: Antioxidant Activity, Inhibitory Effect on α-amylase and α-glucosidase, and In Vitro Digestibility Assessment
Authors: Peláez-Acero Armando , Garrido-Islas Diana Belem , Campos-Montiel Rafael Germán , González-Montiel Lucio , Medina-Pérez Gabriela , Luna-Rodríguez Lorena , González-Lemus Uriel , Cenobio-Galindo Antonio de Jesús
Published: September 2022

In the present study, the effects of ultrasound (10, 20, and 30 min) on the bioactive compounds, antioxidant capacity, enzymatic inhibition, and in vitro digestion of six honey extracts from the Oaxaca state, Mexico, were analyzed. Significant differences were found in each honey extract with respect to the ultrasonic treatment applied (p < 0.05). In the honey extract P-A1 treated with 20 min of ultrasound, the phenols reached a maximum concentration of 29.91 ± 1.56 mg EQ/100 g, and the flavonoids of 1.92 ± 0.01 mg EQ/100 g; in addition, an inhibition of α-amylase of 37.14 ± 0.09% was noted. There were also differences in the phases of intestinal and gastric digestion, presenting a decrease in phenols (3.92 ± 0.042 mg EQ/100 g), flavonoids (0.61 ± 0.17 mg EAG/100 mg), antioxidant capacity (8.89 ± 0.56 mg EAG/100 mg), and amylase inhibition (9.59 ± 1.38%). The results obtained from this study indicate that, in some honeys, the processing method could increase the concentration of bioactive compounds, the antioxidant capacity, and the enzymatic inhibition; however, when subjected to in vitro digestion, the properties of honey are modified. The results obtained could aid in the development of these compounds for use in traditional medicine as a natural source of bioactive compounds.
Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data
Authors: Consonni Viviana , Gosetti Fabio , Termopoli Veronica , Todeschini Roberto , Valsecchi Cecile , Ballabio Davide
Published: September 2022

Mass spectrometry (MS) is widely used for the identification of chemical compounds by matching the experimentally acquired mass spectrum against a database of reference spectra. However, this approach suffers from a limited coverage of the existing databases causing a failure in the identification of a compound not present in the database. Among the computational approaches for mining metabolite structures based on MS data, one option is to predict molecular fingerprints from the mass spectra by means of chemometric strategies and then use them to screen compound libraries. This can be carried out by calibrating multi-task artificial neural networks from large datasets of mass spectra, used as inputs, and molecular fingerprints as outputs. In this study, we prepared a large LC-MS/MS dataset from an on-line open repository. These data were used to train and evaluate deep-learning-based approaches to predict molecular fingerprints and retrieve the structure of unknown compounds from their LC-MS/MS spectra. Effects of data sparseness and the impact of different strategies of data curing and dimensionality reduction on the output accuracy have been evaluated. Moreover, extensive diagnostics have been carried out to evaluate modelling advantages and drawbacks as a function of the explored chemical space.
Acid Hydrolysis of Pectin and Mucilage from Cactus (Opuntia ficus) for Identification and Quantification of Monosaccharides
Authors: Garfias Silva Vanessa , Cordova Aguilar María Soledad , Ascanio Gabriel , Aguayo Juan Pablo , Pérez-Salas Karen Y. , Susunaga Notario Ana del Carmen
Published: September 2022

Pectin and mucilage are polysaccharides from the cactus Opuntia ficus-indica, which are also known as hydrocolloids, with useful properties in industries such as food, pharmaceuticals, and construction, among others. In the present work, cactus hydrocolloids were hydrolyzed characterized using two techniques: first, thin-layer chromatography, to identify the monosaccharides present in the sample, followed by the phenol–sulfuric acid method to determine the monosaccharide content. The hydrolyzing method allowed us to reduce the processing time to 180 min and, considering the identification and quantification procedures, the proposed methodology is much simpler and more cost-effective compared to other methods, such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR), and mass spectrometry. The analysis of the results revealed that the maximum concentration of monosaccharides was obtained after hydrolyzing for 90 min. Under such conditions, with pectin being the main component contained in the cactus hydrocolloids analyzed here, galacturonic acid was found in the largest quantities.
Dosimetry of [212Pb]VMT01, a MC1R-Targeted Alpha Therapeutic Compound, and Effect of Free 208Tl on Tissue Absorbed Doses
Authors: Orcutt Kelly D. , Henry Kelly E. , Habjan Christine , Palmer Keryn , Heimann Jack , Cupido Julie M. , Gottumukkala Vijay , Cissell Derek D. , Lyon Morgan C. , Hussein Amira I. , Liu Dijie , Li Mengshi , Johnson Frances L. , Schultz Michael K.
Published: September 2022

[212Pb]VMT01 is a melanocortin 1 receptor (MC1R) targeted theranostic ligand in clinical development for alpha particle therapy for melanoma. 212Pb has an elementally matched gamma-emitting isotope 203Pb; thus, [203Pb]VMT01 can be used as an imaging surrogate for [212Pb]VMT01. [212Pb]VMT01 human serum stability studies have demonstrated retention of the 212Bi daughter within the chelator following beta emission of parent 212Pb. However, the subsequent alpha emission from the decay of 212Bi into 208Tl results in the generation of free 208Tl. Due to the 10.64-hour half-life of 212Pb, accumulation of free 208Tl in the injectate will occur. The goal of this work is to estimate the human dosimetry for [212Pb]VMT01 and the impact of free 208Tl in the injectate on human tissue absorbed doses. Human [212Pb]VMT01 tissue absorbed doses were estimated from murine [203Pb]VMT01 biodistribution data, and human biodistribution values for 201Tl chloride (a cardiac imaging agent) from published data were used to estimate the dosimetry of free 208Tl. Results indicate that the dose-limiting tissues for [212Pb]VMT01 are the red marrow and the kidneys, with estimated absorbed doses of 1.06 and 8.27 mGyRBE = 5/MBq. The estimated percent increase in absorbed doses from free 208Tl in the injectate is 0.03% and 0.09% to the red marrow and the kidneys, respectively. Absorbed doses from free 208Tl result in a percent increase of no more than 1.2% over [212Pb]VMT01 in any organ or tissue. This latter finding indicates that free 208Tl in the [212Pb]VMT01 injectate will not substantially impact estimated tissue absorbed doses in humans.
Targeted Bottom–Up Mass Spectrometry Approach for the Relative Quantification of Post-Translational Modification of Bovine κ-Casein during Milk Fermentation
Authors: Sagu Sorel Tchewonpi , Rawel Harshadrai M. , Rohn Sascha
Published: September 2022

κ-casein (κ-CN) is one of the key components in bovine milk, playing a unique role in the structuration of casein micelles. It contains in its chemical structure up to sixteen amino acid residues (mainly serine and threonine) susceptible to modifications, including glycosylation and phosphorylation, which may further be formed during milk processing. In this study, changes in post-translational modification (PTM) of κ-CN during bovine milk fermentation were investigated. One-to-five-day fermented milk samples were produced. A traditional bottom–up proteomics approach was used to establish a multiple-reaction monitoring (MRM) method for relative quantification of κ-CN PTM. Endoproteinase Glu-C was found to efficiently digest the κ-CN molecule. The developed LC-MS method was validated by performing assessments of linearity, precision, repeatability, reproducibility, limit of detection (LOD), and limit of quantification (LOQ). Among the yielded peptides, four of them containing serine and threonine residues were identified and the unmodified as well as the modified variants of each of them were relatively quantified. These peptides were (1) IPTINTIASGEPTSTTE [140, 158], (2) STVATLE [162, 168], (3) DSPE [169, 172], and (4) INTVQVTSTAV [180, 190]. Distribution analysis between unmodified and modified peptides revealed that over 50% of κ-CN was found in one of its modified forms in milk. The fermentation process further significantly altered the composition between unmodified/modified κ-CN, with glycoslaytion being predominant compared to phosphorylation (p < 0.01). Further method development towards α and β-CN fractions and their PTM behavior would be an asset to better understand the changes undergone by milk proteins and the micellar structure during fermentation.
Sono-Photocatalytic Activity of Cloisite 30B/ZnO/Ag2O Nanocomposite for the Simultaneous Degradation of Crystal Violet and Methylene Blue Dyes in Aqueous Media
Authors: Foroutan Rauf , Peighambardoust Seyed Jamaleddin , Boffito Daria Camilla , Ramavandi Bahman
Published: September 2022

A new nanocomposite based on Cloisite 30B clay modified with ZnO and Ag2O nanoparticles (Cloisite 30B/ZnO/Ag2O) was synthesized as an effective catalyst in the sono-photocatalytic process of crystal violet (CV) and methylene blue (MB) dyes simultaneously. The characteristics and catalytic activity of Cloisite 30B/ZnO/Ag2O nanocomposite were investigated under different conditions. The specific active surface for Cloisite 30B/ZnO/Ag2O nanocomposite was 18.29 m2/g. Additionally, the catalytic activity showed that Cloisite 30B/ZnO/Ag2O nanocomposite (CV: 99.21%, MB: 98.43%) compared to Cloisite 30B/Ag2O (CV: 85.38%, MB: 83.62%) and Ag2O (CV: 68.21%, MB: 66.41%) has more catalytic activity. The catalytic activity of Cloisite 30B/ZnO/Ag2O using the sono-photocatalytic process had the maximum efficiency (CV: 99.21%, MB: 98.43%) at pH 8, time of 50 min, amount of 40 mM H2O2, catalyst dose of 0.5 g/L, and the concentration of ‘CV + MB’ of 5 mg/L. The catalyst can be reused in the sono-photocatalytic process for up to six steps. According to the results, •OH and h+ were effective in the degradation of the desired dyes using the desired method. Data followed the pseudo-first-order kinetic model. The method used in this research is an efficient and promising method to remove dyes from wastewater.
Occurrence of Healthcare-Associated Infections (HAIs) by Escherichia coli and Klebsiella spp. Producing Extended-Spectrum β-lactamases (ESBL) and/or Carbapenemases in Portuguese Long-Term Care Facilities
Authors: Machado Elisabete , Costa Patrício , Carvalho Alexandre ,   on behalf of the SAREL Investigators
Published: September 2022

Extended-spectrum-β-lactamase (ESBL)- and carbapenemase-producing bacteria are widespread in hospitals, but the extent of this problem in long-term care facilities (LTCFs) is poorly understood. We aimed to elucidate, in the Portuguese regional clinical context, the relevance of LTCFs as a reservoir of Escherichia coli and Klebsiella spp. producing ESBL- and/or carbapenemases (Ec/Kp-ESBL/CARB). Fourteen LTCFs from Portugal, corresponding to units of convalescence (UC/n = 3), medium-term internment and rehabilitation (UMDR/ n = 5), or long-term internment and maintenance (ULDM/n = 6), were analyzed (2016–2019). All patients with Ec/Kp-ESBL/CARB infections acquired during LTCF stay were included, and detailed information was collected. Prevalence of patients with healthcare-associated infections (HAIs) by Ec/Kp-ESBL/CARB did not vary significantly over time (1.48% in 2016–2017, 1.89% in 2017–2018, and 1.90% in 2018–2019), but a statistically significant association with the LTCF typology (ULDM, UMDR) was observed. HAIs were caused by K. pneumoniae (n = 51/54.3%), E. coli (n = 41/43.6%), or both (n = 2/2.1%), producing ESBL (96%) or carbapenemases (4%). Prior colonization (n = 14/16%) corresponded to seven Kp-CARB and seven Ec/Kp-ESBL. The worrying prevalence of patients acquiring HAIs by Ec/Kp-ESBL/CARB, associated with the estimated rates of those already colonized at admission, highlights a relevant role for LTCFs as a reservoir of Ec/Kp-ESBL/CARB. Epidemiological surveillance should be extended to the national level, and colonization screening at LTCF admission implemented systematically.
Evolution of the Ace-1 and Gste2 Mutations and Their Potential Impact on the Use of Carbamate and Organophosphates in IRS for Controlling Anopheles gambiae s.l., the Major Malaria Mosquito in Senegal
Authors: Diallo Moussa , Kolley Ebrima SM , Dia Abdoulaye Kane , Oboh Mary Aigbiremo , Seck Fatoumata , Manneh Jarra , Sesay Abdul Karim , Diédhiou Seynabou Macote , Sarr Pape Cheikh , Sy Ousmane , Samb Badara , Gaye Oumar , Faye Ousmane , Konaté Lassana , Assogba Benoit Sessinou , Niang El Hadji Amadou
Published: September 2022

Widespread of insecticide resistance amongst the species of the Anopheles gambiae complex continues to threaten vector control in Senegal. In this study, we investigated the presence and evolution of the Ace-1 and Gste2 resistance genes in natural populations of Anopheles gambiae s.l., the main malaria vector in Senegal. Using historical samples collected from ten sentinel health districts, this study focused on three different years (2013, 2017, and 2018) marking the periods of shift between the main public health insecticides families (pyrethroids, carbamates, organophosphates) used in IRS to track back the evolutionary history of the resistance mutations on the Ace-1 and Gste2 loci. The results revealed the presence of four members of the Anopheles gambiae complex, with the predominance of An. arabiensis followed by An. gambiae, An. coluzzii, and An. gambiae–coluzzii hybrids. The Ace-1 mutation was only detected in An. gambiae and An. gambiae–coluzzii hybrids at low frequencies varying between 0.006 and 0.02, while the Gste2 mutation was found in all the species with a frequency ranging between 0.02 and 0.25. The Ace-1 and Gste2 genes were highly diversified with twenty-two and thirty-one different haplotypes, respectively. The neutrality tests on each gene indicated a negative Tajima’s D, suggesting the abundance of rare alleles. The presence and spread of the Ace-1 and Gste2 resistance mutations represent a serious threat to of the effectiveness and the sustainability of IRS-based interventions using carbamates or organophosphates to manage the widespread pyrethroids resistance in Senegal. These data are of the highest importance to support the NMCP for evidence-based vector control interventions selection and targeting.
Goos–Hänchen Lateral Displacements and Angular Deviations: When These Optical Effects Offset Each Other
Authors: De Leo Stefano , Maggio Luca , d’Ambrosio Moreno
Published: September 2022

For optical beams transmitted by a right-angle prism, the Goos–Hänchen shift can never be seen as a pure effect. Indeed, the lateral displacement, caused by the total internal reflection, will always be accompanied by angular deviations generated by the transmission through the incoming and outgoing interfaces. This combined effect can be analyzed by using the Taylor expansion of the Fresnel coefficients. The analytic expression found for the transmitted beam allows us to determine the beam parameters, the incidence angles, and the axial distance for which lateral displacements are compensated by angular deviations. Proposals to optimize experimental implementations are also briefly discussed.