bluuebunny/crossref_metadata_2025 huggingface dataset:
Identifying Pseudorutile and Kleberite Using Raman Spectroscopy
Authors: Imperial Alexis , Pe-Piper Georgia , Piper David J. W. , Grey Ian E.
Published: September 2022

Pseudorutile and kleberite are intermediate minerals formed during alteration of ilmenite to rutile. They are difficult to identify, as both have a range of chemical composition and occur as small crystals commonly mixed with other minerals. Reference samples of large crystals of pseudorutile and kleberite, with published X-ray diffraction and chemical analyses, were analysed to establish characteristic Raman spectra. Pseudorutile produced a goethite-like Raman spectrum but with a shift to increased wavenumber. It has characteristic Raman bands with peak positions at 234, 302, 402, 546, 617, 713 and 816 cm−1 and OH stretching over the interval of 3390–3350 cm−1. The 402 and 806 cm−1 bands are the most intense. Kleberite produced a similar spectrum, but with a 10–30 cm−1 greater Raman shift in the goethite-like bands. Its Raman bands have peak positions at 432, 573, 740, and 820 cm−1 and OH stretching at 3390–3350 cm−1. These results were applied to identify pseudorutile formed by diagenetic alteration of detrital ilmenite in Cretaceous sandstones of the Mesozoic Scotian Basin, eastern Canada. These samples showed pseudorutile Raman bands, but some samples are intermixed with residual ilmenite. Raman microspectroscopy thus allows rapid identification of small grains of pseudorutile and kleberite.
Adenosine A2A Receptor Antagonist Improves Cognitive Impairment by Inhibiting Neuroinflammation and Excitatory Neurotoxicity in Chronic Periodontitis Mice
Authors: He Wendan , Xie Xianlong , Li Chenxi , Ding Huang , Ye Jishi
Published: September 2022

The adenosine A2A receptor antagonist SCH58261 has been reported to have anti-inflammatory effects. However, its role in chronic periodontitis (CP)-induced cognitive impairment, which is associated with Porphyromonas gingivalis lipopolysaccharide (P. gingivalis LPS), remains unclear. This study investigated the role of SCH58261 in mice with CP-induced cognitive impairment. C57BL/6J mice were used to develop CP model by injecting 0.5 mg/kg P. gingivalis LPS into the palatal gingival sulcus of maxillary first molars twice a week for four weeks. The mice were divided into control, P. gingivalis LPS (P-LPS), P-LPS + SCH58261, and SCH58261 groups. The passive avoidance test (PAT) and Morris water maze (MWM) were used to assess cognition in mice. Furthermore, CD73/adenosine, neuroinflammation, glutamate transporters, and glutamate were assessed. Compared with the P-LPS group, 0.1 and 0.5 mg/kg SCH58261 increased latency and decreased error times in PAT, but increased platform crossing number in MWM. SCH58261 inhibited microglial activation, and decreased pro-inflammatory cytokines and glutamate levels, but increased GLT-1 and PSD95 expression in the hippocampus. This was the first report of SCH58261 treatment for CP-induced cognitive impairment, which may be related to its anti-inflammatory activities and anti-glutamate excitatory neurotoxicity. This suggests that SCH58261 can be used as a novel agent to treat cognitive impairment.
First Discovery of Cholesterol-Lowering Activity of Parthenolide as NPC1L1 Inhibitor
Authors: Liu Wenjing , Liang Bing , Zeng Jun , Meng Jingsen , Shi Lingyu , Yang Shanbo , Chang Jing , Wang Chao , Hu Xiaokun , Wang Xufu , Han Na , Lu Chenghui , Li Jiao , Wang Congcong , Li Huanting , Zhang Renshuai , Xing Dongming
Published: September 2022

Elevated cholesterol significantly increases the risk of developing atherosclerosis and coronary heart disease. The key to treating hypercholesterolemia is lowering plasma cholesterol levels. There have been no studies on the cholesterol-lowering potential of parthenolide (PTL), a naturally occurring small molecule from Tanacetum parthenium. Here, we first put forth PTL’s cholesterol-lowering ability to inhibit cellular uptake of cholesterol in a dose-dependent manner. Its performance was on par with the positive control drug, ezetimibe. Niemann–Pick C1 Like-1 (NPC1L1) has been identified as a potential therapeutic target for hypercholesterolemia. The interaction of PTL with NPC1L1 could be explained by the results of molecular docking and filipin staining further reinforces this hypothesis. Furthermore, PTL reduced the expression of NPC1L1 in HepG2 cells in a concentration-dependent manner, which suggests that PTL functions as a potential NPC1L1 inhibitor with therapeutic potential for hypercholesterolemia.
Simultaneous Preconcentration of Triazole Fungicide Residues Using In-Situ Coacervative Extraction Based on a Double-Solvent Supramolecular System Prior to High Performance Liquid Chromatographic Analysis
Authors: Buppasang Rachaya , Palasak Jaruwan , Kachangoon Rawikan , Ponhong Kraingkrai , Teshima Norio , Burakham Rodjana , Srijaranai Supalax , Vichapong Jitlada
Published: September 2022

An in situ coacervative extraction (IS-CAE) based on a double-solvent supramolecular system coupled to liquid–liquid microextraction is investigated for extraction and enrichment of triazole fungicides. The formation of a double-solvent supramolecular system was generated by in situ formation and used as an extraction solvent for the coacervative extraction method. No disperser solvent was required. This new double-solvent supramolecular system has a higher extraction ability than any of its components alone. The different factors that could affect the extraction capability were studied and optimized, including the type of double extractant and its volume, salt addition, vortex time, and centrifugation time. Under optimum extraction conditions, this method provides high enrichment factors (EFs) of 73–318 with low limits of detection (LODs) of 0.3–1 μg L−1 and limits of quantitation (LOQs) of 1–3 μg L−1. In addition, the proposed method was prosperously applied for the determination of triazole fungicides in water, fruit juice, and soy milk samples.
Designing a 0D/1D S-Scheme Heterojunction of Cadmium Selenide and Polymeric Carbon Nitride for Photocatalytic Water Splitting and Carbon Dioxide Reduction
Authors: Wang Yayun , Wang Haotian , Li Yuke , Zhang Mingwen , Zheng Yun
Published: September 2022

Constructing photocatalysts to promote hydrogen evolution and carbon dioxide photoreduction into solar fuels is of vital importance. The design and establishment of an S-scheme heterojunction system is one of the most feasible approaches to facilitate the separation and transfer of photogenerated charge carriers and obtain powerful photoredox capabilities for boosting photocatalytic performance. Herein, a zero-dimensional/one-dimensional S-scheme heterojunction composed of CdSe quantum dots and polymeric carbon nitride nanorods (CdSe/CN) is created and constructed via a linker-assisted hybridization approach. The CdSe/CN composites exhibit superior photocatalytic activity in water splitting and promoted carbon dioxide conversion performance compared with CN nanorods and CdSe quantum dots. The best efficiency in photocatalytic water splitting (10.2% apparent quantum yield at 420 nm irradiation, 20.1 mmol g−1 h−1 hydrogen evolution rate) and CO2 reduction (0.77 mmol g−1 h−1 CO production rate) was achieved by 5%CdSe/CN composites. The significantly improved photocatalytic reactivity of CdSe/CN composites primarily originates from the emergence of an internal electric field in the zero-dimensional/one-dimensional S-scheme heterojunction, which could greatly improve the photoinduced charge-carrier separation. This work underlines the possibility of employing polymeric carbon nitride nanostructures as appropriate platforms to establish highly active S-scheme heterojunction photocatalysts for solar fuel production.
A Simple High-Throughput Method for the Analysis of Vicine and Convicine in Faba Bean
Authors: Elkins Aaron C. , Rochfort Simone J. , Maharjan Pankaj , Panozzo Joe
Published: September 2022

The faba bean is one of the earliest domesticated crops, with both economic and environmental benefits. Like most legumes, faba beans are high in protein, and can be used to contribute to a balanced diet, or as a meat substitute. However, they also produce the anti-nutritional compounds, vicine and convicine (v-c), that when enzymatically degraded into reactive aglycones can potentially lead to hemolytic anemia or favism. Current methods of analysis use LC-UV, but are only suitable at high concentrations, and thus lack the selectivity and sensitivity to accurately quantitate the low-v-c genotypes currently being developed. We have developed and fully validated a rapid high-throughput LC-MS method for the analysis of v-c in faba beans by optimizing the extraction protocol and assessing the method of linearity, limit of detection, limit of quantitation, accuracy, precision and matrix effects. This method uses 10-times less starting material; removes the use of buffers, acids and organic chemicals; and improves precision and accuracy when compared to current methods.
Mass Spectrometric Identification of Licania rigida Benth Leaf Extracts and Evaluation of Their Therapeutic Effects on Lipopolysaccharide-Induced Inflammatory Response
Authors: Nascimento Thayse Evellyn Silva do , López Jorge A. , Barbosa Eder Alves , Ururahy Marcela Abbott Galvão , Brito Adriana da Silva , Araujo-Silva Gabriel , Luz Jefferson Romáryo Duarte da , Almeida Maria das Graças
Published: September 2022

Licania rigida Benth has been evaluated as an alternative drug to treat diseases associated with inflammatory processes. This study evaluated the anti-inflammatory effects of aqueous and hydroalcoholic leaf extracts of L. rigida with inflammation induced by lipopolysaccharides in in vitro and in vivo inflammation models. The phytochemical profile of the extracts, analyzed by ultra-fast liquid chromatography coupled with tandem mass spectrometry, revealed the presence of gallic and ellagic acids in both extracts, whereas isovitexin, ferulate, bulky amino acids (e.g., phenylalanine), pheophorbide, lactic acid, and pyridoxine were detected in the hydroalcoholic extract. The extracts displayed the ability to modulate in vitro and in vivo inflammatory responses, reducing approximately 50% of pro-inflammatory cytokine secretion (TNF-α, IL-1β, and IL-6), and inhibiting both NO production and leukocyte migration by approximately 30 and 40% at 100 and 500 µg/mL, respectively. Overall, the results highlight and identify, for the first time, the ability of L. rigida leaf extract to modulate inflammatory processes. These data suggest that the leaf extracts of this plant have potential in the development of herbal formulations for the treatment of inflammation.
The Backbone of Success of P,N-Hybrid Ligands: Some Recent Developments
Authors: Smith Martin B.
Published: September 2022

Organophosphorus ligands are an invaluable family of compounds that continue to underpin important roles in disciplines such as coordination chemistry and catalysis. Their success can routinely be traced back to facile tuneability thus enabling a high degree of control over, for example, electronic and steric properties. Diphosphines, phosphorus compounds bearing two separated PIII donor atoms, are also highly valued and impart their own unique features, for example excellent chelating properties upon metal complexation. In many classical ligands of this type, the backbone connectivity has been based on all carbon spacers only but there is growing interest in embedding other donor atoms such as additional nitrogen (–NH–, –NR–) sites. This review will collate some important examples of ligands in this field, illustrate their role as ligands in coordination chemistry and highlight some of their reactivities and applications. It will be shown that incorporation of a nitrogen-based group can impart unusual reactivities and important catalytic applications.
Detecting Aflatoxin B1 in Peanuts by Fourier Transform Near-Infrared Transmission and Diffuse Reflection Spectroscopy
Authors: Yao Wanqing , Liu Ruanshan , Zhang Fengru , Li Shuang , Huang Xiaoxia , Guo Hongwei , Peng Mengxia , Zhong Guohua
Published: September 2022

Aflatioxin B1 (AFB1) has been recognized by the International Agency of Research on Cancer as a group 1 carcinogen in animals and humans. A fast, batch, and real-time control and no chemical pollution method was developed for the discrimination and quantification prediction of AFB1-infected peanuts by applying Fourier transform near-infrared (FT-NIR) coupled with chemometrics. Initially, the near-infrared transmission (NIRT) and diffuse reflection (NIRR) modules were applied to collect spectra of the samples. The principal component analysis (PCA) method was employed to extract the characteristic wavelength, followed by different preprocessing methods (seven methods) to build an effective linear discriminant analysis (LDA) classification and partial least squares (PLS) quantification models. The results showed that, for both the NIRT or NIRR modules, the LDA classification models satisfactorily distinguished peanuts infected with AFB1 or from those not infected, with external validation showing a 100% correct identification rate and a 0% misjudgment rate. In addition, combined with the concentration of AFB1 in peanuts determined by enzyme-linked immunoassay assay, the best partial least squares (PLS) models were established, with a combination of the first derivative and the Norris derivative filter smoothing pretreatment (Rc2 = 0.937 and 0.984, RMSECV = 3.92% and 2.22%, RPD = 3.98 and 7.91 for NIRR and NIRT, respectively). The correlation coefficient between the predicted value and the reference value in the external verification was 0.998 and 0.917, respectively. This study highlights that both spectral acquisition modules meet the requirements of online, rapid, and accurate identification of peanut AFB1 infection in the early stages.
In Situ Swelling Formulation of Glycerol-Monooleate-Derived Lyotropic Liquid Crystals Proposed for Local Vaginal Application
Authors: Tarsitano Martine , Mancuso Antonia , Cristiano Maria Chiara , Paolino Donatella , Fresta Massimo
Published: September 2022

Hydrogels have been extensively investigated to identify innovative formulations that can fulfill all the necessary purposes to improve local vaginal therapy through the mucosa. Herein, we propose in situ-forming lyotropic liquid crystals (LLCs) derived from a cheap and GRAS (generally recognized as safe) ingredient as an intravaginal delivery system. The system consists of a precursor solution loaded with sertaconazole nitrate as a model drug, which is able to easily swell in a stable three-dimensional structure by absorbing simulated vaginal fluid. Under polarized light microscopy the precursor solution and the formed phase of LLCs showed the typical textures belonging to anisotropic and an isotropic mesophases, respectively. A deep rheological investigation by Kinexus® Pro proved the stability and strength of the cubic phase, as well as its potential in mucoadhesion. In vitro degradation studies showed a slow matrix erosion, consistent with data obtained from lipophilic drug release studies in simulated vaginal fluid. Therefore, the suggested cubic phase based on lyotropic liquid crystals could represent a valid proposal as a vaginal drug delivery system due to its characteristics of resistance, adhesion and the possibility of providing a slow and controlled release of drugs directly at the administration site.
Electrochemical and Catalytic Properties of Carbon Dioxide-Activated Graphite Felt
Authors: Świątkowski Andrzej , Kuśmierek Elżbieta , Chrześcijańska Ewa , Kuśmierek Krzysztof , Albiniak Andrzej
Published: September 2022

The commercial graphite felt GFA 10 was subjected to an activation process with the use of CO2 at 900 °C for 35 and 70 min. Pristine and heat-treated materials were characterized using various methods: low-temperature N2 adsorption, SEM, and EDS. Voltammetric measurements of GFA samples (before and after activation) as the working electrode were carried out. Voltammograms were recorded in aqueous solutions of 4-chlorophenol and sodium sulfate as supporting electrolyte. The catalytic activity of GFA samples in the process of 4-chlorophenol oxidation with the use of H2O2 was also investigated. The influence of graphite felt thermal activation in the CO2 atmosphere on its electrochemical and catalytic behavior was analyzed and discussed. Results of the investigation indicate that GFA activated in CO2 can be applied as an electrode material or catalytic material in the removal of organic compounds from industrial wastewater. However, the corrosion resistance of GFA, which is decreasing during the activation, needs to be refined.
Effects of Ultra-High Pressure on Endogenous Enzyme Activities, Protein Properties, and Quality Characteristics of Shrimp (Litopenaeus vannamei) during Iced Storage
Authors: Zhu Chen , Jiao Dexin , Sun Ying , Chen Lihang , Meng Siyu , Yu Xiaona , Zheng Mingzhu , Liu Meihong , Liu Jingsheng , Liu Huimin
Published: September 2022

The present study aimed to explore the effects of ultra-high pressure (UHP) on the cathepsin (B, D, H, and L) activities, protein oxidation, and degradation properties as well as quality characteristics of iced shrimp (Litopenaeus vannamei). Fresh shrimps were vacuum-packed, treated with UHP (100–500 MPa for 5 min), and stored at 0 °C for 15 days. The results showed that the L* (luminance), b* (yellowness), W (whiteness), ΔE (color difference), hardness, shear force, gumminess, chewiness, and resilience of shrimp were significantly improved by UHP treatment. Moreover, the contents of surface hydrophobicity, myofibril fragmentation index (MFI), trichloroacetic acid (TCA)-soluble peptides, carbonyl, dityrosine, and free sulfhydryl of myofibrillar protein (MP) were significantly promoted by UHP treatment. In addition, UHP (above 300 MPa) treatment enhanced the mitochondrial membrane permeability but inhibited the lysosomal membrane stability, and the cathepsin (B, D, H, and L) activities. UHP treatment notably inhibited the activities of cathepsins, delayed protein oxidation and degradation, as well as texture softening of shrimp during storage. Generally, UHP treatment at 300 MPa for 5 min effectively delayed the protein and quality deterioration caused by endogenous enzymes and prolonged the shelf life of shrimp by 8 days.
Lysozyme and Its Application as Antibacterial Agent in Food Industry
Authors: Nawaz Nida , Wen Sai , Wang Fenghuan , Nawaz Shiza , Raza Junaid , Iftikhar Maryam , Usman Muhammad
Published: September 2022

Lysozymes are hydrolytic enzymes characterized by their ability to cleave the β-(1,4)-glycosidic bonds in peptidoglycan, a major structural component of the bacterial cell wall. This hydrolysis action compromises the integrity of the cell wall, causing the lysis of bacteria. For more than 80 years, its role of antibacterial defense in animals has been renowned, and it is also used as a preservative in foods and pharmaceuticals. In order to improve the antimicrobial efficacy of lysozyme, extensive research has been intended for its modifications. This manuscript reviews the natural antibiotic compound lysozyme with reference to its catalytic and non-catalytic mode of antibacterial action, lysozyme types, susceptibility and resistance of bacteria, modification of lysozyme molecules, and its applications in the food industry.
Mechanistic Aspects for the Modulation of Enzyme Reactions on the DNA Scaffold
Authors: Lin Peng , Yang Hui , Nakata Eiji , Morii Takashi
Published: September 2022

Cells have developed intelligent systems to implement the complex and efficient enzyme cascade reactions via the strategies of organelles, bacterial microcompartments and enzyme complexes. The scaffolds such as the membrane or protein in the cell are believed to assist the co-localization of enzymes and enhance the enzymatic reactions. Inspired by nature, enzymes have been located on a wide variety of carriers, among which DNA scaffolds attract great interest for their programmability and addressability. Integrating these properties with the versatile DNA–protein conjugation methods enables the spatial arrangement of enzymes on the DNA scaffold with precise control over the interenzyme distance and enzyme stoichiometry. In this review, we survey the reactions of a single type of enzyme on the DNA scaffold and discuss the proposed mechanisms for the catalytic enhancement of DNA-scaffolded enzymes. We also review the current progress of enzyme cascade reactions on the DNA scaffold and discuss the factors enhancing the enzyme cascade reaction efficiency. This review highlights the mechanistic aspects for the modulation of enzymatic reactions on the DNA scaffold.
Electrochemical Investigation of Iron-Catalyzed Atom Transfer Radical Polymerization
Authors: Gazzola Gianluca , Pasinato Sebastiano , Fantin Marco , Braidi Niccolò , Tubaro Cristina , Durante Christian , Isse Abdirisak Ahmed
Published: September 2022

Use of iron-based catalysts in atom transfer radical polymerization (ATRP) is very interesting because of the abundance of the metal and its biocompatibility. Although the mechanism of action is not well understood yet, iron halide salts are usually used as catalysts, often in the presence of nitrogen or phosphorous ligands (L). In this study, electrochemically mediated ATRP (eATRP) of methyl methacrylate (MMA) catalyzed by FeCl3, both in the absence and presence of additional ligands, was investigated in dimethylformamide. The electrochemical behavior of FeCl3 and FeCl3/L was deeply investigated showing the speciation of Fe(III) and Fe(II) and the role played by added ligands. It is shown that amine ligands form stable iron complexes, whereas phosphines act as reducing agents. eATRP of MMA catalyzed by FeCl3 was investigated in different conditions. In particular, the effects of temperature, catalyst concentration, catalyst-to-initiator ratio, halide ion excess and added ligands were investigated. In general, polymerization was moderately fast but difficult to control. Surprisingly, the best results were obtained with FeCl3 without any other ligand. Electrogenerated Fe(II) effectively activates the dormant chains but deactivation of the propagating radicals by Fe(III) species is less efficient, resulting in dispersity > 1.5, unless a high concentration of FeCl3 is used.
Direct Electrooxidative Selenylation/Cyclization of Alkynes: Access to Functionalized Benzo[b]furans
Authors: Hasimujiang Balati , Lin Shengsheng , Zheng Chengwei , Zeng Yong , Ruan Zhixiong
Published: September 2022

A mild, practical, metal and oxidant-free methodology for the synthesis of various C-3 selenylated benzo[b]furan derivatives was developed through the intramolecular cyclization of alkynes promoted with diselenides via electrooxidation. A wide range of selenium-substituted benzo[b]furan derivatives were obtained in good to excellent yields with high regioselectivity under constant current in an undivided cell equipped with carbon and platinum plates as the anode and cathode, respectively. Moreover, the convergent approach exhibited good functional group tolerance and could be easily scaled up with good efficiency, providing rapid access to a diverse range of selenylated benzo[b]furans derivatives from simple, readily available starting materials.
MOF-808 as a Highly Active Catalyst for the Diastereoselective Reduction of Substituted Cyclohexanones
Authors: Mautschke Hans Hilmar , Llabrés i Xamena Francesc X.
Published: September 2022

Zr-containing MOF-808 is an excellent heterogeneous catalyst for the diastereoselective Meerwein–Ponndorf–Verley reduction of substituted cyclohexanones. The presence of substituents at the 2 or 3 position of the cyclohexanone ring strongly drives the reaction towards the formation of one of the two possible isomers. For 3-methyl cyclohexanone, the available space inside the MOF pores allows the formation of the bulkier transition state leading to the thermodynamically stable 3-cis-cyclohexanol. For 2-methyl cyclohexanone, the reaction rate is much slower and the final diastereoselectivity depends on the size of the alcohol used. Finally, reduction of 2-phenyl cyclohexanone is considerable faster over MOF-808 than for any other catalyst reported so far. The large size of the phenyl favors the selective formation (up to 94% selectivity) of the cis-alcohol, which goes through a less hindered transition state.
Changes in Fruit Quality Phytochemicals of Late-Mature Peach ‘Yonglian No.1’ during Storage
Authors: Li Wen , Pei Zekang , Shang Juane , Yang Hongjuan , Kui Xiaohua , Zeng Zhifang , Ma Cuilan , Qiu Dongliang
Published: September 2022

In this study, the changes in quality parameters and sensory-influencing parameters from the peel, red flesh, and white flesh of ‘Yonglian No.1’ peach fruits were analyzed during cold storage. The results indicated that the contents of total soluble solids (TSS), soluble sugar, organic acid, vitamin C, total anthocyanin, phenol, and flavonoids, as well as the good fruit rate varied depending on the storage stages and storage treatments. The peach fruits in MAP stored for 50 days had favorable exterior qualities, a good fruit rate of 100%, and a higher content of total soluble solids (TSS) at 12.6%. MAP was significantly effective at maintaining fruit firmness, the content of TSS, soluble sugar, organic acid, vitamin C, total anthocyanin, phenol, and flavonoids. Among the derivatives of anthocyanin, both cyanidin and pelargonidin were found in the peel, with a content of 33.45 mg/kg FW and 1.82 mg/kg FW, respectively. However, cyanidin was detected in the flesh with a content of 40.42 mg/kg FW. In the present work, the differences regarding phytochemical profiles and physical properties were mainly correlated with the storage stages and storage treatments of peach fruit. ‘Yonglian No.1’ had higher levels of health-promoting compounds during storage and maintained favorable quality.
Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone
Authors: Jevtovic Violeta , Alshammari Njood , Latif Salman , Alsukaibi Abdulmohsen Khalaf Dhahi , Humaidi Jamal , Alanazi Tahani Y. A. , Abdulaziz Fahad , Matalka Samah I. , Pantelić Nebojša Đ. , Marković Milica , Rakić Aleksandra , Dimić Dušan
Published: September 2022

New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.
Head-to-Tail and Head-to-Head Molecular Chains of Poly(p-Anisidine): Combined Experimental and Theoretical Evaluation
Authors: de Oliveira Lilian Rodrigues , de Souza Gonçalves Douglas , de Souza Carolino Adriano , Facchinatto William Marcondes , de Carvalho Menezes Diogo , Dias Cleverton Oliveira , Colnago Luiz Alberto , Ruiz Yurimiler Leyet , Ţălu Ştefan , da Fonseca Filho Henrique Duarte , Chaudhuri Puspitapallab , Campelo Pedro Henrique , Mascarenhas Yvonne Primerano , Sanches Edgar Aparecido
Published: September 2022

Poly(p-anisidine) (PPA) is a polyaniline derivative presenting a methoxy (–OCH3) group at the para position of the phenyl ring. Considering the important role of conjugated polymers in novel technological applications, a systematic, combined experimental and theoretical investigation was performed to obtain more insight into the crystallization process of PPA. Conventional oxidative polymerization of p-anisidine monomer was based on a central composite rotational design (CCRD). The effects of the concentration of the monomer, ammonium persulfate (APS), and HCl on the percentage of crystallinity were considered. Several experimental techniques such as X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), multifractal analysis, Nuclear Magnetic Resonance (13C NMR), Fourier-transform Infrared spectroscopy (FTIR), and complex impedance spectroscopy analysis, in addition to Density Functional Theory (DFT), were employed to perform a systematic investigation of PPA. The experimental treatments resulted in different crystal structures with a percentage of crystallinity ranging from (29.2 ± 0.6)% (PPA1HT) to (55.1 ± 0.2)% (PPA16HT-HH). A broad halo in the PPA16HT-HH pattern from 2θ = 10.0–30.0° suggested a reduced crystallinity. Needle and globular-particle morphologies were observed in both samples; the needle morphology might have been related to the crystalline contribution. A multifractal analysis showed that the PPA surface became more complex when the crystallinity was reduced. The proposed molecular structures of PPA were supported by the high-resolution 13C NMR results, allowing us to access the percentage of head-to-tail (HT) and head-to-head (HH) molecular structures. When comparing the calculated and experimental FTIR spectra, the most pronounced changes were observed in ν(C–H), ν(N–H), ν(C–O), and ν(C–N–C) due to the influence of counterions on the polymer backbone as well as the different mechanisms of polymerization. Finally, a significant difference in the electrical conductivity was observed in the range of 1.00 × 10−9 S.cm−1 and 3.90 × 10−14 S.cm−1, respectively, for PPA1HT and PPA16HT-HH.
Extracts Prepared from Feed Supplements Containing Wood Lignans Improve Intestinal Health by Strengthening Barrier Integrity and Reducing Inflammation
Authors: Heckmann Mara , Sadova Nadiia , Drotarova Ivana , Atzmüller Stefanie , Schwarzinger Bettina , Guedes Roberto Mauricio Carvalho , Correia Paula Angelica , Hirtenlehner Stefan , Potthast Christine , Klanert Gerald , Weghuber Julian
Published: September 2022

Lignans are known to exhibit a broad spectrum of biological activities, indicating their potential as constituents of feed supplements. This study investigated two extracts derived from the feed supplements ‘ROI’ and ‘Protect’—which contain the wood lignans magnolol and honokiol (‘ROI’), or soluble tannins additional to the aforementioned lignans (‘Protect’)—and their impact on selected parameters of intestinal functionality. The antioxidant and anti-inflammatory properties of the extracts were determined by measuring their effects on reactive oxygen species (ROS) and pro-inflammatory cytokine production in vitro. The impact on intestinal barrier integrity was evaluated in Caco-2 cells and Drosophila melanogaster by examining leaky gut formation. Furthermore, a feeding trial using infected piglets was conducted to study the impact on the levels of superoxide dismutase, glutathione and lipid peroxidation. The Protect extract lowered ROS production in Caco-2 cells and reversed the stress-induced weakening of barrier integrity. The ROI extract inhibited the expression or secretion of interleukin-8 (IL-8), interleukin-6 (IL-6), interleukin-1β (IL-1β) and tumor necrosis factor α (TNFα). Moreover, the ROI extract decreased leaky gut formation and mortality rates in Drosophila melanogaster. Dietary supplementation with Protect improved the antioxidant status and barrier integrity of the intestines of infected piglets. In conclusion, wood lignan-enriched feed supplements are valuable tools that support intestinal health by exerting antioxidant, anti-inflammatory and barrier-strengthening effects.
Secondary-Heteroatom-Doping-Derived Synthesis of N, S Co-Doped Graphene Nanoribbons for Enhanced Oxygen Reduction Activity
Authors: Li Bing , Xiang Tingting , Shao Yuqi , Lv Fei , Cheng Chao , Zhang Jiali , Zhu Qingchao , Zhang Yifan , Yang Juan
Published: September 2022

The rareness and weak durability of Pt-based electrocatalysts for oxygen reduction reactions (ORRs) have hindered the large-scale application of fuel cells. Here, we developed an efficient metal-free catalyst consisting of N, S co-doped graphene nanoribbons (N, S-GNR-2s) for ORRs. GNRs were firstly synthesized via the chemical unzipping of carbon nanotubes, and then N, S co-doping was conducted using urea as the primary and sulfourea as the secondary heteroatom sources. The successful incorporation of nitrogen and sulfur was confirmed by elemental mapping analysis as well as X-ray photoelectron spectroscopy. Electrochemical testing revealed that N, S-GNR-2s exhibited an Eonset of 0.89 V, E1/2 of 0.79 V and an average electron transfer number of 3.72, as well as good stability and methanol tolerance. As a result, N, S-GNR-2s displayed better ORR property than either N-GNRs or N, S-GNRs, the control samples prepared with only a primary heteroatom source, strongly clarifying the significance of secondary-heteroatom-doping on enhancing the catalytic activity of carbon-based nanomaterials.
Magnetic-Core–Shell–Satellite Fe3O4-Au@Ag@(Au@Ag) Nanocomposites for Determination of Trace Bisphenol A Based on Surface-Enhanced Resonance Raman Scattering (SERRS)
Authors: Huang Jie , Zhou Tianxiang , Zhao Wenshi , Zhang Min , Zhang Zhibo , Lai Wangsheng , Kadasala Naveen Reddy , Liu Huilian , Liu Yang
Published: September 2022

As a typical representative of endocrine-disrupting chemicals (EDCs), bisphenol A (BPA) is a common persistent organic pollutant in the environment that can induce various diseases even at low concentrations. Herein, the magnetic Fe3O4-Au@Ag@(Au@Ag) nanocomposites (CSSN NCs) have been prepared by self-assembly method and applied for ultra-sensitive surface-enhanced resonance Raman scattering (SERRS) detection of BPA. A simple and rapid coupling reaction of Pauly’s reagents and BPA not only solved the problem of poor affinity between BPA and noble metals, but also provided the SERRS activity of BPA azo products. The distribution of hot spots and the influence of incremental introduction of noble metals on the performance of SERRS were analyzed by a finite-difference time-domain (FDTD) algorithm. The abundance of hot spots generated by core–shell–satellite structure and outstanding SERRS performance of Au@Ag nanocrystals were responsible for excellent SERRS sensitivity of CSSN NCs in the results. The limit of detection (LOD) of CSSN NCs for BPA azo products was as low as 10−10 M. In addition, the saturation magnetization (Ms) value of CSSN NCs was 53.6 emu·g−1, which could be rapidly enriched and collected under the condition of external magnetic field. These magnetic core–shell–satellite NCs provide inspiration idea for the tailored design of ultra-sensitive SERRS substrates, and thus exhibit limitless application prospects in terms of pollutant detection, environmental monitoring, and food safety.
In Situ Control of the Eluted Ni Nanoparticles from Highly Doped Perovskite for Effective Methane Dry Reforming
Authors: Kim Heesu , Mane Rasika , Han Kyeongwon , Kim Hyungjin , Lee Chanmin , Jeon Yukwon
Published: September 2022

To design metal nanoparticles (NPs) on a perovskite surface, the exsolution method has been extensively used for efficient catalytic reactions. However, there are still the challenges of finding a combination and optimization for the NPs’ control. Thus, we report in situ control of the exsolved Ni NPs from perovskite to apply as a catalyst for dry reforming of methane (DRM). The La0.8Ce0.1Ti0.6Ni0.4O3 (LCTN) is designed by Ce doping to incorporate high amounts of Ni in the perovskite lattice and also facilitate the exsolution phenomenon. By control of the eluted Ni NPs through exsolution, the morphological properties of exsolved Ni NPs are observed to have a size range of 10~49 nm, while the reduction temperatures are changed. At the same time, the chemical structure of the eluted Ni NPs is also changed by an increased reduction temperature to a highly metallic Ni phase with an increased oxygen vacancy at the perovskite oxide surface. The optimized composite nanomaterial displays outstanding catalytic performance of 85.5% CH4 conversion to produce H2 with a value of 15.5 × 1011 mol/s·gcat at 60.2% CO conversion, which shows the importance of the control of the exsolution mechanism for catalytic applications.
Interactions between ZnO Nanoparticles and Polyphenols Affect Biological Responses
Authors: Kim Su-Bin , Yoo Na-Kyung , Choi Soo-Jin
Published: September 2022

Zinc oxide (ZnO) nanoparticles (NPs) are used as a food additive Zn supplement due to the role of Zn in biological functions. They are directly added to complex processed foods or Zn-fortified functional foods. Hence, the interactions between ZnO NPs and nutritional or functional components can occur. In this study, the effects of ZnO NP interactions with two polyphenols (quercetin and rutin) on cytotoxicity, antioxidant activity, ex vivo intestinal absorption, and solubility were evaluated. Moreover, the characterization on the interactions was carried out by analyzing crystallinity, surface chemical bonding, chemical composition, and surface chemistry. The results demonstrate that the interactions caused higher cytotoxicity, ex vivo intestinal transport, and solubility of ZnO NPs than pristine ZnO NPs but did not affect antioxidant activity nor intestinal absorption of the polyphenols. The interaction effects were more evident by ZnO NPs interacted with quercetin than with rutin. The crystallinity of ZnO NPs was not influenced, but the degree of exposure of the chemical bondings, elemental compositions, and chemical group intensities on the surface of ZnO NPs, quercetin, or rutin were quenched or decreased to some extent by the interactions, especially by ZnO NPs interacted with quercetin. It is, therefore, concluded that the interactions affect chemical characteristics and surface chemical sates of ZnO NPs, quercetin, or rutin, which can cause high cytotoxicity, intestinal absorption, and solubility of ZnO NPs. Further study is required to elucidate the mechanism of action of the interactions.
Mussel-Inspired Surface Modification of α-Zirconium Phosphate Nanosheets for Anchoring Efficient and Reusable Ultrasmall Au Nanocatalysts
Authors: Lin Limiao , Wen Yi , Li Lixi , Tan Ying , Yang Peng , Liang Yaoheng , Xu Yisheng , Hu Huawen , Xu Yonghang
Published: September 2022

The shortage of powerful functionalities on scalable α-zirconium phosphate (ZrP) materials blocks the facile preparation of highly dispersed and immobilized metal nanocatalysts. We herein present a mild and facile mussel-inspired strategy based on polydopamine (PDA) for the surface modification of ZrP, and hence, the generation of powerful functionalities at a high density for the straightforward reduction of chloroauric acid to Au nanoparticles (AuNPs) and the immobilization of AuNPs. The resulting ternary ZrP@PDA/Au exhibited ultra-small AuNPs with a particle size of around 6.5 nm, as estimated based on TEM images. Consequently, the ZrP@PDA/Au catalyst showed significant activity in the catalytic conversion of 4-nitrophenol (4NP) to 4-aminophenol (4AP), a critical transformation reaction in turning the hazard into valuable intermediates for drug synthesis. The PDA was demonstrated to play a critical role in the fabrication of the highly efficient ZrP@PDA/Au catalyst, far outperforming the ZrP/Au counterpart. The turnover frequency (TOF) achieved by the ZrP@PDA/Au reached as high as 38.10 min−1, much higher than some reported noble metal-based catalysts. In addition, the ZrP@PDA/Au showed high stability and reusability, of which the catalytic efficiency was not significantly degraded after prolonged storage in solution.
Efficient Oxygen Vacancy Defect Engineering for Enhancing Visible-Light Photocatalytic Performance over SnO2−x Ultrafine Nanocrystals
Authors: Jia Tiekun , Sun Chenxi , Shi Nianfeng , Yu Dongsheng , Long Fei , Hu Ji , Wang Jilin , Dong Binbin , Li Jili , Fu Fang , Hu Shujing , Lee Joong Hee
Published: September 2022

Regardless of its good electron-transfer ability and chemical stability, pure Zn2SnO4 (ZSO) still has intrinsic deficiencies of a narrow spectral response region, poor absorption ability, and high photo-activated carrier recombination rate. Aiming to overcome the deficiencies above-mentioned, we designed a facile hydrothermal route for etching ZSO nanoparticles in a dilute acetic acid solution, through which efficient oxygen vacancy defect engineering was accomplished and SnO2−x nanocrystals were obtained with an ultrafine particle size. In comparison with the untreated ZSO nanoparticles, the specific surface area of SnO2−x nanocrystals was substantially enlarged, subsequently leading to the notable augmentation of active sites for the photo-degradation reaction. Aside from the above, it is worth noting that SnO2−x nanocrystals were endowed with a broad spectral response, enhancing light absorption capacity and the photo-activated carrier transfer rate with the aid of oxygen vacancy defect engineering. Accordingly, SnO2−x nanocrystals exhibited significantly enhanced photoactivity toward the degradation of the organic dye rhodamine B (RhB), which could be imputed to the synergistic effect of increasing active sites, intensified visible-light harvesting, and the separation rate of the photo-activated charge carrier caused by the oxygen vacancy defect engineering. In addition, these findings will inspire us to open up a novel pathway to design and prepare oxide compound photocatalysts modified by oxygen vacancy defects in pursuing excellent visible-light photoactivity.
Performance Research and Formulation Optimization of High-Performance Local Insulation Spray Coating Materials
Authors: Liu Hechen , Wei Liwei , Gao Fengsheng , Tang Li , Li Le , Sun Zhanglin , Liu Yunpeng , Dong Peng
Published: September 2022

Bird pest control has become a major task for the operation and maintenance of distribution network lines. Epoxy resin that cures quickly at room temperature can be used to coat locations where birds frequently build their nests. However, epoxy resin has enormous internal stress and is brittle, so it is essential to toughen it. In this paper, for a room temperature curing system composed of polyurethane-modified epoxy resin and a polythiol curing agent, three kinds of particles, i.e., Al2O3, SiO2, and Mg(OH)2, were used to modify a polyurethane modified epoxy resin. Orthogonal experiments were designed to study the effects of different fillers on the comprehensive properties of polyurethane-modified epoxy resins. The experimental results showed that there were not only independent effects of different kinds if particles on the resin, but also synergistic effects of multiple particles. Nanoparticles can reduce the defects introduced by microparticles to a certain extent and improve the mechanical and electrical properties of the resin. The overall performance of the resin was optimized when the amounts of SiO2, Al2O3, and Mg(OH)2 were 1.7%, 2.5%, and 7%, respectively. The tensile strength of the resin was increased by 70%, the elongation at a break by 67.53%, and the breakdown strength by 20.31% compared with before the addition of filler. The microscopic morphology and thermal properties of the resin before and after the addition of filler were also studied. Adding fillers caused more cracks to absorb part of the energy when the resin matrix was stressed and increased the rigidity of the resin matrix and the resin’s glass transition temperature (Tg) by 13.48 °C. Still, the temperature corresponding to the maximum rate of weight loss (Tmax) remained unchanged.
Viral Infection Profile in Children Treated for Acute Lymphoblastic Leukemia—Results of Nationwide Study
Authors: Zawitkowska Joanna , Drabko Katarzyna , Czyżewski Krzysztof , Dziedzic Magdalena , Jaremek Kamila , Zalas-Więcek Patrycja , Szmydki-Baran Anna , Hutnik Łukasz , Matysiak Michał , Czogała Wojciech , Balwierz Walentyna , Żak Iwona , Salamonowicz-Bodzioch Małgorzata , Kazanowska Bernarda , Wróbel Grażyna , Kałwak Krzysztof , Tomaszewska Renata , Szczepański Tomasz , Zając-Spychała Olga , Wachowiak Jacek , Płonowski Marcin , Krawczuk-Rybak Maryna , Królak Aleksandra , Ociepa Tomasz , Urasiński Tomasz , Pierlejewski Filip , Młynarski Wojciech , Urbańska-Rakus Justyna , Machnik Katarzyna , Pająk Sonia , Badowska Wanda , Brzeski Tomasz , Mycko Katarzyna , Mańko-Glińska Hanna , Urbanek-Dądela Agnieszka , Karolczyk Grażyna , Mizia-Malarz Agnieszka , Stolpa Weronika , Skowron-Kandzia Katarzyna , Musiał Jakub , Chaber Radosław , Irga-Jaworska Ninela , Bień Ewa , Styczyński Jan
Published: September 2022

Viral infections can be a serious complication of therapy in children with acute lymphoblastic leukemia (ALL). In this study, we focused on the incidence and the profile of viral infection in children with ALL treated in 17 pediatric oncology centers in Poland in the two-year periods of 2018–2019 and 2020–2021. We also compared the frequency of viral infections in 2018–2019 to that in 2020–2021. In 2020–2021, a total of 192 children with ALL had a viral infection during intensive chemotherapy. A total number of 312 episodes of viral infections were diagnosed. The most common infections detected in the samples were: COVID-19 (23%), rhinovirus (18%), and respiratory syncytial virus (14%). COVID-19 and BK virus infections were the reason for the death 1% of all patients. In 2018–2019, a total of 53 ALL patients who had a viral infection were reported and 72 viral events were observed, mainly adenovirus (48.6%), rotavirus (31.9%), and herpes zoster (8.3%). No deaths were reported during this period. The cumulative incidence of viral infections in 2018–2019 was 10.4%, while for 2020–2021, it was 36.7%. In conclusion, a high incidence of COVID-19 infection was observed among pediatric patients with ALL in Poland. The mortality rate in our material was low. The viral profile in ALL children undergoing chemotherapy can be useful for clinicians to improve prophylactic and therapeutic strategies.
Fungal Endophytes Isolated from Elymus repens, a Wild Relative of Barley, Have Potential for Biological Control of Fusarium culmorum and Pyrenophora teres in Barley
Authors: Høyer Anna Kaja , Jørgensen Hans Jørgen Lyngs , Hodkinson Trevor Roland , Jensen Birgit
Published: September 2022

Twenty-four fungal endophytes, isolated from a wild relative of barley, Elymus repens, were screened in barley against an isolate of Fusarium culmorum and an isolate of Pyrenophora teres under controlled conditions. In all experiments, the endophytes were applied individually as seed dressings. Five endophytes could significantly reduce symptoms of Fusarium culmorum (Periconia macrospinosa E1 and E2, Epicoccum nigrum E4, Leptodontidium sp. E7 and Slopeiomyces cylindrosporus E18). In particular, treatment with Periconia macrospinosa E1 significantly reduced Fusarium symptoms on roots by 29–63% in two out of four experiments. Using, a gfp transformed isolate of P. macrospinosa E1, it was possible to show that the fungus was present on roots 14 days after sowing, coinciding with the disease scoring. To test for a potential systemic effect of the seed treatment, eight endophyte isolates were tested against the leaf pathogen Pyrenophora teres. Three isolates could significantly reduce symptoms of P. teres (Lasiosphaeriaceae sp. E10, Lindgomycetaceae sp. E13 and Leptodontidium sp. E16). Seed treatment with Lasiosphaeriaceae sp. E10 reduced net blotch leaf lesion coverage by 89%, in one out of three experiments. In conclusion, specific endophyte isolates exerted varying degrees of protection in the different experiments. Nevertheless, data suggest that endophytic strains from E. repens in a few cases are antagonistic against F. culmorum and P. teres, but otherwise remain neutral when introduced to a barley host in a controlled environment.