bluuebunny/crossref_metadata_2025 huggingface dataset:
Oxidative Stress Response and E. coli Biofilm Formation under the Effect of Pristine and Modified Carbon Nanotubes
Authors: Maksimova Yuliya , Zorina Anastasiya , Nesterova Larisa
Published: May 2023

The article investigates the expression of oxyR and soxS oxidative stress genes in E. coli under the effect of pristine multi-walled carbon nanotubes (MWCNTs) and pristine single-walled carbon nanotubes (SWCNTs), MWCNTs and SWCNTs functionalized with carboxyl groups (MWCNTs-COOH and SWCNTs-COOH, respectively), SWCNTs functionalized with amino groups (SWCNTs-NH2) and SWCNTs functionalized with octadecylamine (SWCNTs-ODA). Significant differences were found in the expression of the soxS gene, while no changes were observed in the expression level of the oxyR gene. The pro-oxidant effect of SWCNTs, SWCNTs-COOH, SWCNTs-NH2, and SWCNTs-ODA is presented, and the contrary antioxidant effect of pristine MWCNTs and MWCNTs-COOH in the presence of methyl viologen hydrate (paraquat) is shown. The article shows that SWCNTs-COOH, SWCNTs-NH2, and SWCNTs-ODA added to the medium generate the production of reactive oxygen species (ROS) in bacterial cells. SWCNTs-COOH intensified the E. coli biofilm formation, and the biofilm biomass exceeded the control by 25 times. Additionally, it is shown that the rpoS expression increased in response to MWCNTs-COOH and SWCNTs-COOH, and the effect of SWCNTs-COOH was more significant. SWCNTs-COOH and SWCNTs-NH2 initiated an increase in ATP concentration in the planktonic cells and a decrease in the biofilm cells. The atomic force microscopy (AFM) method showed that the volume of E. coli planktonic cells after the exposure to carbon nanotubes (CNTs) decreased compared to that without exposure, mainly due to a decrease in cell height. The absence of a strong damaging effect of functionalized SWCNTs on E. coli K12 cells, both in suspension and in biofilms, is shown. Contact with functionalized SWCNTs initiated the aggregation of the polymeric substances of the biofilms; however, the cells did not lyse. Among the studied CNTs, SWCNTs-COOH caused an increased expression of the soxS and rpoS, the formation of ROS, and stimulation of the biofilm formation.
Association between Intestinal Microecological Changes and Atherothrombosis
Authors: Zhuo Xinyu , Luo Hui , Lei Rumei , Lou Xiaokun , Bian Jing , Guo Junfeng , Luo Hao , Zhang Xingwei , Jiao Qibin , Gong Wenyan
Published: May 2023

Atherosclerosis (AS) is a chronic inflammatory disease of large- and medium-sized arteries that causes ischemic heart disease, strokes, and peripheral vascular disease, collectively called cardiovascular disease (CVD), and is the leading cause of CVD resulting in a high rate of mortality in the population. AS is pathological by plaque development, which is caused by lipid infiltration in the vessel wall, endothelial dysfunction, and chronic low-grade inflammation. Recently, more and more scholars have paid attention to the importance of intestinal microecological disorders in the occurrence and development of AS. Intestinal G-bacterial cell wall lipopolysaccharide (LPS) and bacterial metabolites, such as oxidized trimethylamine (TMAO) and short-chain fatty acids (SCFAs), are involved in the development of AS by affecting the inflammatory response, lipid metabolism, and blood pressure regulation of the body. Additionally, intestinal microecology promotes the progression of AS by interfering with the normal bile acid metabolism of the body. In this review, we summarize the research on the correlation between maintaining a dynamic balance of intestinal microecology and AS, which may be potentially helpful for the treatment of AS.
Emergence of Azithromycin-Resistant Neisseria gonorrhoeae Isolates Belonging to the NG-MAST Genogroup 12302 in Russia
Authors: Kandinov Ilya , Dementieva Ekaterina , Filippova Marina , Vinokurova Alexandra , Gorshkova Sofya , Kubanov Alexey , Solomka Victoria , Shagabieva Julia , Deryabin Dmitry , Shaskolskiy Boris , Gryadunov Dmitry
Published: May 2023

The goal of this work was to determine the factors affecting the emergence of azithromycin-resistant Neisseria gonorrhoeae isolates in Russia, where azithromycin was never recommended for the treatment of gonococcal infections. Clinical N. gonorrhoeae isolates collected in 2018–2021 (428 isolates) were analyzed. No azithromycin-resistant isolates were found in 2018–2019, but in 2020–2021, a significant increase in the ratio of azithromycin-resistant isolates was observed: 16.8% and 9.3%, respectively. A hydrogel DNA microarray was developed for the analysis of resistance determinants: mutations in the genes encoding the mtrCDE efflux system and in all four copies of the 23S rRNA gene (position 2611). A majority of the azithromycin-resistant Russian isolates belonged to the NG-MAST G12302 genogroup, and the resistance was associated with the presence of a mosaic structure of the mtrR gene promoter region with the −35 delA deletion, an Ala86Thr mutation in the mtrR gene, and a mosaic structure of the mtrD gene. A comparative phylogenetic study of modern Russian and European N. gonorrhoeae populations allowed us to conclude that the emergence of azithromycin resistance in Russia in 2020 was the result of the appearance and spread of European N. gonorrhoeae strains belonging to the G12302 genogroup due to possible cross-border transfer.
Trace Elements of Gangue Minerals from the Banbianjie Ge-Zn Deposit in Guizhou Province, SW China
Authors: An Yun-Lin , Zhou Jia-Xi , Meng Qing-Tian , Sun Guo-Tao , Yang Zhi-Mou
Published: May 2023

There are many dispersed element-rich Pb-Zn deposits hosted by Paleozoic carbonate rocks in the Middle-Upper Yangtze Block, China. The origin and nature of the ore-forming fluids that formed them are still much debated (syngenetic vs. epigenetic). The Banbianjie Ge-Zn deposit is located in the southeastern margin of the Yangtze Block, SW China. It is a newly discovered medium-sized Zn (Zn metal reserves > 0.39 Mt, @1.78%–9.5% Zn) and large-scale Ge deposit (Ge metal resources > 900 t, @100 × 10−6–110 × 10−6 Ge) in the Western Hunan–Eastern Guizhou Pb-Zn metallogenic belt, SW China. Gangue minerals in the Banbianjie deposit are very developed, including calcite, dolomite and barite, which are closely associated with sulfides. Hence, the trace elements of gangue minerals could be used to trace the nature, source and evolution of ore-forming fluids, and the ore genesis of this deposit can be discussed. These gangue minerals are nearly horizontally distributed in the plot of La/Ho-Y/Ho, suggesting that they are the products of the same hydrothermal fluids. The total rare earth element (∑REE) contents from calcite and dolomite to barite show an increasing trend, indicating that the REEs in the ore-forming fluids were mainly enriched in barite. Hence, the ∑REE of barite can approximately represent the ΣREE of the hydrothermal fluids, which are quite similar to those of the underlying strata, indicating that the ore-forming fluids were likely originated from and/or flowed through them. The Eu anomalies from dolomite (Eu/Eu* = 0.33–0.66) to calcite (Eu/Eu* = 0.29–1.13) and then to barite (Eu/Eu* = 1.64–7.71) show an increasing trend, suggesting that the ore-forming fluids experienced a shift in the ore-forming environment from reduced to oxidized. Hence, the source of the Banbianjie Ge-Zn deposit is the underlying strata, and the ore-forming physical–chemical condition has experienced a transition from reduction to oxidation during the Ge-Zn mineralization. The ore genesis of the Banbianjie Ge-Zn deposit is most likely a Mississippi Valley-type (MVT) deposit.
Saprotrophic Fungus Induces Microscale Mineral Weathering to Source Potassium in a Carbon-Limited Environment
Authors: Richardson Jocelyn A. , Anderton Christopher R. , Bhattacharjee Arunima
Published: May 2023

Plants rely on potassium for many critical biological processes, but most soils are potassium limited. Moving potassium from the inaccessible, mineral-bound pool to a more bioavailable form is crucial for sustainably increasing local potassium concentrations for plant growth and health. Here, we use a synthetic soil habitat (mineral doped micromodels) to study and directly visualize how the saprotrophic fungus, Fusarium sp. DS 682, weathers K-rich soil minerals. After 30 days of fungal growth, both montmorillonite and illite (secondary clays) had formed as surface coatings on primary K-feldspar, biotite, and kaolinite grains. The distribution of montmorillonite differed depending on the proximity to a carbon source, where montmorillonite was found to be associated with K-feldspar closer to the carbon (C) source, which the fungus was inoculated on, but associated with biotite at greater distances from the C source. The distribution of secondary clays is likely due to a change in the type of fungal exuded organic acids; from citric to tartaric acid dominated production with increasing distance from the C source. Thus, the main control on the ability of Fusarium sp. DS 682 to weather K-feldspar is proximity to a C source to produce citric acid via the TCA cycle.
Molecular Dynamics Simulations Correlating Mechanical Property Changes of Alumina with Atomic Voids under Triaxial Tension Loading
Authors: Chang Junhao , Chen Zengtao , Hogan James D.
Published: May 2023

The functionalization of nanoporous ceramics for applications in healthcare and defence necessitates the study of the effects of geometric structures on their fundamental mechanical properties. However, there is a lack of research on their stiffness and fracture strength along diverse directions under multi-axial loading conditions, particularly with the existence of typical voids in the models. In this study, accurate atomic models and corresponding properties were meticulously selected and validated for further investigation. Comparisons were made between typical material geometric and elastic properties with measured results to ensure the reliability of the selected models. The mechanical behavior of nanoporous alumina under multiaxial stretching was explored through molecular dynamics simulations. The results indicated that the stiffness of nanoporous alumina ceramics under uniaxial tension was greater, while the fracture strength was lower compared to that under multiaxial loading. The fracture of nanoporous ceramics under multi-axial stretching, was mainly dominated by void and crack extension, atomic bond fracture, and cracking with different orientations. Furthermore, the effects of increasing strain rates on the void volume fraction were found to be similar across different initial radii. It was also found that the increasing tension loading rates had greater effects on decreasing the fracture strain. These findings provide additional insight into the fracture mechanisms of nanoporous ceramics under complex loading states, which can also contribute to the development of higher-scale models in the future.
Novel Indoline Spiropyrans Based on Human Hormones β-Estradiol and Estrone: Synthesis, Structure, Chromogenic and Cytotoxic Properties
Authors: Ozhogin Ilya V. , Pugachev Artem D. , Makarova Nadezhda I. , Belanova Anna A. , Kozlenko Anastasia S. , Rostovtseva Irina A. , Zolotukhin Peter V. , Demidov Oleg P. , El-Sewify Islam M. , Borodkin Gennady S. , Metelitsa Anatoly V. , Lukyanov Boris S.
Published: May 2023

The introduction of a switchable function into the structure of a bioactive compound can endow it with unique capabilities for regulating biological activity under the influence of various types of external stimuli, which makes such hybrid compounds promising objects for photopharmacology, targeted drug delivery and bio-imaging. This work is devoted to the synthesis and study of new spirocyclic derivatives of important human hormones—β-estradiol and estrone—possessing a wide range of biological activities. The obtained hybrid compounds represent an indoline spiropyrans family, a widely known class of organic photochromic compounds. The structure of the compounds was confirmed by 1H and 13C NMR, IR, HRMS and single-crystal X-ray analysis. The intermolecular interactions in the crystals of spiropyran (3) were defined by Hirshfeld surfaces and 2D fingerprint plots, which were successfully acquired from CrystalExplorer (v21.5). All target hybrids demonstrated pronounced activity in the visible region of the spectrum. The mechanisms of thermal isomerization processes of spiropyrans and their protonated merocyanine forms were studied by DFT methods, which revealed the energetic advantage of the protonation process with the formation of a β-cisoid CCCH conformer at the first stage and its further isomerization to more stable β-transoid forms. The proposed mechanism of acidochromic transformation was confirmed by the additional NMR study data that allowed for the detecting of the intermediate CCCH isomer. The study of the short-term cytotoxicity of new spirocyclic derivatives of estrogens and their 2-formyl-precursors was performed on the HeLa cell model. The precursors and spiropyrans differed in toxicity, suggesting their variable applicability in novel anti-cancer technologies.
D-Pinitol Improved Glucose Metabolism and Inhibited Bone Loss in Mice with Diabetic Osteoporosis
Authors: Liu Xinxin , Koyama Tomoyuki
Published: May 2023

Diabetic osteoporosis (DO) has been increasingly recognized as an important complication of diabetes. D-pinitol, a natural compound found in various legumes, is known for its anti-diabetic function, but its effect on DO has not been investigated. Two doses of pinitol (50 and 100 mg/kg Bw/d) were administered orally to experimentally induce the DO mouse model for 5 weeks. The results indicated that pinitol suppressed fasting blood glucose levels and tended to enhance impaired pancreatic function. Pinitol also suppressed serum bone turnover biomarkers, and improved dry femur weight, cancellous bone rate, and bone mineral content in the DO mice. Based on the inositol quantification using GC-MS in serum, liver, kidney, and bone marrow, the pinitol treatment significantly recovered the depleted D-chiro-inositol (DCI) content or the decreased the ratio of DCI to myo-inositol caused by DO. In short, our results suggested that pinitol improved glucose metabolism and inhibited bone loss in DO mice via elevating the DCI levels in tissues.
Evaluation of the Impact of Two Thiadiazole Derivatives on the Dissolution Behavior of Mild Steel in Acidic Environments
Authors: Althobaiti Ibrahim O. , Eid Salah , El-Nasser Karam S. , Hashem Nady , Salama Eid Eissa
Published: May 2023

In light of the variety of industrial uses and economic relevance of mild steel, corrosion resistance is a serious topic. Utilization of inhibitors serves as one of the most essential methods for corrosion control. Two thiadiazole compounds, namely, 2-amino-5-(4-bromobenzyl)-1,3,4-thiadiazole (a1) and 2-amino-5-(3-nitrophenyl)-1,3,4-thiadiazole (a2), were synthesized. The structure of the prepared compounds was verified by Fourier transform infrared spectroscopy (FTIR) and proton and carbon-13 nuclear magnetic resonance spectroscopy (1H NMR and 13C NMR). In a 0.50 M H2SO4 solution, the effectiveness of two synthetic thiadiazole derivatives as mild steel corrosion inhibitors were investigated. In this evaluation, various electrochemical methodologies have been utilized, such as potentiodynamic polarization, open circuit potential (OCP), and electrochemical impedance spectroscopy (EIS). The results confirm the efficiency of the inhibition increases by raising concentrations of a1 and a2. The inhibitory behavior was explained by the notion that the adsorption of thiadiazole molecules, a1 and a2, on the surface of mild steel causes a blockage of charge and mass transfer, protecting the mild steel from offensive ions. Furthermore, the synthesized molecules a1 and a2 were analyzed using density functional theory (DFT).
Antibacterial and Antifungal Terpenes from the Medicinal Angiosperms of Asia and the Pacific: Haystacks and Gold Needles
Authors: Wiart Christophe , Kathirvalu Geethanjali , Raju Chandramathi Samudi , Nissapatorn Veeranoot , Rahmatullah Mohammed , Paul Alok K. , Rajagopal Mogana , Sathiya Seelan Jaya Seelan , Rusdi Nor Azizun , Lanting Scholastica , Sulaiman Mazdida
Published: May 2023

This review identifies terpenes isolated from the medicinal Angiosperms of Asia and the Pacific with antibacterial and/or antifungal activities and analyses their distribution, molecular mass, solubility, and modes of action. All data in this review were compiled from Google Scholar, PubMed, Science Direct, Web of Science, ChemSpider, PubChem, and library searches from 1968 to 2022. About 300 antibacterial and/or antifungal terpenes were identified during this period. Terpenes with a MIC ≤ 2 µg/mL are mostly amphiphilic and active against Gram-positive bacteria, with a molecular mass ranging from about 150 to 550 g/mol, and a polar surface area around 20 Å². Carvacrol, celastrol, cuminol, dysoxyhainic acid I, ent-1β,14β-diacetoxy-7α-hydroxykaur-16-en-15-one, ergosterol-5,8-endoperoxide, geranylgeraniol, gossypol, 16α-hydroxy-cleroda-3,13 (14)Z-diene-15,16-olide, 7-hydroxycadalene, 17-hydroxyjolkinolide B, (20R)-3β-hydroxy-24,25,26,27-tetranor-5α cycloartan-23,21-olide, mansonone F, (+)-6,6′-methoxygossypol, polygodial, pristimerin, terpinen-4-ol, and α-terpineol are chemical frameworks that could be candidates for the further development of lead antibacterial or antifungal drugs.
Differentiation of Goat Meat Freshness Using Gas Chromatography with Ion Mobility Spectrometry
Authors: He Shan , Zhang Bin , Dong Xuan , Wei Yuqing , Li Hongtu , Tang Bo
Published: May 2023

To investigate the flavor changes in goat meat upon storage, the volatile components observed in goat meat after different storage periods were determined using gas chromatography–ion mobility spectrometry (GC–IMS). A total of 38 volatile organic compounds (VOCs) were determined from the goat meat samples, including alcohols, ketones, aldehydes, esters, hydrocarbons, ethers, and amine compounds. 1-Hexanol, 3-Hydroxy-2-butanone, and Ethyl Acetate were the main volatile substances in fresh goat meat, and they rapidly decreased with increasing storage time and can be used as biomarkers for identifying fresh meat. When combined with the contents of total volatile basic–nitrogen (TVB-N) and the total numbers of bacterial colonies observed in physical and chemical experiments, the characteristic volatile components of fresh, sub-fresh, and spoiled meat were determined by principal component analysis (PCA). This method will help with the detection of fraudulent production dates in goat meat sales.
Qualitative and Quantitative Determination of Decoquinate in Chicken Tissues by Gas Chromatography Tandem Mass Spectrometry
Authors: Liu Shuyu , Tang Yayun , Lu Yang , Guo Yawen , Xie Kaizhou , Guan Fanxun , Gao Pengfei , Zhu Yali , Dong Yuhao , Zhang Tao , Zhang Genxi , Dai Guojun , Xie Xing
Published: May 2023

A novel precolumn derivatization–GC-MS/MS method was developed for the determination of decoquinate residues in chicken tissues (muscle, liver, and kidney). The samples were extracted and purified by liquid–liquid extraction combined with solid-phase extraction and derivatized with acetic anhydride and pyridine. The recovery rates for decoquinate were 77.38~89.65%, and the intra-day and inter-day RSDs were 1.63~5.74% and 2.27~8.06%, respectively. The technique parameters meet the necessities for veterinary drug residue detection in China, the US, and the EU. Finally, the method was applied to analyze tissues of 60 chickens bought from a neighborhood supermarket, and solely one sample of chicken muscle contained 15.6 μg/kg decoquinate residue.
The Influence of Microwave-Assisted Extraction on the Phenolic Compound Profile and Biological Activities of Extracts from Selected Scutellaria Species
Authors: Oracz Joanna , Kowalski Stanisław , Żyżelewicz Dorota , Kowalska Gabriela , Gumul Dorota , Kulbat-Warycha Kamila , Rosicka-Kaczmarek Justyna , Brzozowska Anna , Grzegorczyk Aleksandra , Areczuk Anna
Published: May 2023

The aim of the study was to investigate the effects of microwave-assisted extraction (MAE) conditions (microwave power, extraction time, and ethanol concentration) on the efficiency of the extraction of phenolic compounds from selected plant species belonging to the genus Scutellaria (i.e., Scutellaria baicalensis and Scutellaria lateriflora). The extracts from selected Scutellaria species were examined to establish the total phenolic content and the in vitro antioxidant and anti-inflammatory activity. The antioxidant capacity was determined by the ferric reducing antioxidant power (FRAP) and 2,2,1-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging capacity methods. The anti-inflammatory activity was evaluated through the lipoxygenase (LOX) inhibitory assay. The phenolic profile of the extracts was characterized using ultra-high performance liquid chromatography coupled with diode array detection and high-resolution electrospray ionization mass spectrometry (UHPLC–DAD/ESI–HRMS/MS). Depending on the type of solvent and the extraction conditions used, the extracts obtained from selected Scutellaria species showed different total and individual phenolic content, as well as different antioxidant and anti-inflammatory properties. The results showed that all Scutellaria extracts had high total phenolic content and exhibited strong ferric ion reducing power and free radical scavenging capacity and a significant ability to inhibit the LOX activity. In general, the 70% ethanol extracts contained more phenolic compounds, mainly flavones, flavanones, and their derivatives, and showed greater in vitro biological activity than other extracts. The highest levels of phenolic compounds and the strongest antioxidant and anti-inflammatory potential were found in extracts from the roots of S. baicalensis. Optimal extraction conditions for all the plant materials tested were determined as the microwave power of 63 W, extraction time of 10 min, and 70% ethanol as the solvent.
Design, Synthesis, and Biological Evaluation of Phenyloxadiazole Sulfoxide Derivatives as Potent Pseudomonas aeruginosa Biofilm Inhibitors
Authors: Ye Xinyi , Mao Shen , Li Yasheng , Yang Zhikun , Du Aoqi , Wang Hong
Published: May 2023

With the development of antimicrobial agents, researchers have developed new strategies through key regulatory systems to block the expression of virulence genes without affecting bacterial growth. This strategy can minimize the selective pressure that leads to the emergence of resistance. Quorum sensing (QS) is an intercellular communication system that plays a key role in the regulation of bacterial virulence and biofilm formation. Studies have revealed that the QS system controls 4–6% of the total number of P. aeruginosa genes, and quorum sensing inhibitors (QSIs) could be a promising target for developing new prevention and treatment strategies against P. aeruginosa infection. In this study, four series of phenyloxadiazole and phenyltetrazole sulfoxide derivatives were synthesized and evaluated for their inhibitory effects on P. aeruginosa PAO1 biofilm formation. Our results showed that 5b had biofilm inhibitory activity and reduced the production of QS-regulated virulence factors in P. aeruginosa. In addition, silico molecular docking studies have shown that 5b binds to the P. aeruginosa QS receptor protein LasR through hydrogen bond interaction. Preliminary structure–activity relationship and docking studies show that 5b has broad application prospects as an anti-biofilm compound, and further research will be carried out in the future to solve the problem of microbial resistance.
Enhancing the Curie Temperature in Cr2Ge2Te6 via Charge Doping: A First-Principles Study
Authors: Hou Yinlong , Wei Yu , Yang Dan , Wang Ke , Ren Kai , Zhang Gang
Published: May 2023

In this work, we explore the impacts of charge doping on the magnetism of a Cr2Ge2Te6 monolayer using first-principles calculations. Our results reveal that doping with 0.3 electrons per unit cell can enhance the ferromagnetic exchange constant in a Cr2Ge2Te6 monolayer from 6.874 meV to 10.202 meV, which is accompanied by an increase in the Curie temperature from ~85 K to ~123 K. The enhanced ratio of the Curie temperature is up to 44.96%, even higher than that caused by surface functionalization on monolayer Cr2Ge2Te6, manifesting the effectiveness of charge doping by improving the magnetic stability of 2D magnets. This remarkable enhancement in the ferromagnetic exchange constant and Curie temperature can be attributed to the increase in the magnetic moment on the Te atom, enlarged Cr-Te-Cr bond angle, reduced Cr-Te distance, and the significant increase in super-exchange coupling between Cr and Te atoms. These results demonstrate that charge doping is a promising route to improve the magnetic stability of 2D magnets, which is beneficial to overcome the obstacles in the application of 2D magnets in spintronics.
Improved Stability and Catalytic Efficiency of ω-Transaminase in Aqueous Mixture of Deep Eutectic Solvents
Authors: Wang Hongpeng , Masuku Mercy Vimbai , Tao Yachen , Yang Jiayao , Kuang Yi , Lyu Changjiang , Huang Jun , Yang Shengxiang
Published: May 2023

The efficient biosynthesis of chiral amines at an industrial scale to meet the high demand from industries that require chiral amines as precursors is challenging due to the poor stability and low catalytic efficiency of ω-transaminases (ω-TAs). Herein, this study adopted a green and efficient solvent engineering method to explore the effects of various aqueous solutions of deep eutectic solvents (DESs) as cosolvents on the catalytic efficiency and stability of ω-TA. Binary- and ternary-based DESs were used as cosolvents in enhancing the catalytic activity and stability of a ω-TA variant from Aspergillus terreus (E133A). The enzyme exhibited a higher catalytic activity in a ternary-based DES that was 2.4-fold higher than in conventional buffer. Moreover, the thermal stability was enhanced by a magnitude of 2.7, with an improvement in storage stability. Molecular docking studies illustrated that the most potent DES established strong hydrogen bond interactions with the enzyme’s amino acid, which enhanced the catalytic efficiency and improved the stability of the ω-TA. Molecular docking is essential in designing DESs for a specific enzyme.
Point-of-Care and Dual-Response Detection of Hydrazine/Hypochlorite-Based on a Smart Hydrogel Sensor and Applications in Information Security and Bioimaging
Authors: Du Man , Zhang Yue , Xu Zhice , Dong Zhipeng , Zhao Shuchun , Du Hongxia , Zhao Hua
Published: May 2023

A novel dual-response fluorescence probe (XBT-CN) was developed by using a fluorescence priming strategy for quantitative monitoring and visualization of hydrazine (N2H4) and hypochlorite (ClO−). With the addition of N2H4/ClO−, the cleavage reaction of C=C bond initiated by N2H4/ClO− was transformed into corresponding hydrazone and aldehyde derivatives, inducing the probe XBT-CN appeared a fluorescence “off-on” response, which was verified by DFT calculation. HRMS spectra were also conducted to confirm the sensitive mechanism of XBT-CN to N2H4 and ClO−. The probe XBT-CN had an obvious fluorescence response to N2H4 and ClO−, which caused a significant color change in unprotected eyes. In addition, the detection limits of XBT-CN for N2H4 and ClO− were 27 nM and 34 nM, respectively. Interference tests showed that other competitive analytes could hardly interfere with the detection of N2H4 and ClO− in a complex environment. In order to realize the point-of-care detection of N2H4 and ClO−, an XBT-CN@hydrogel test kit combined with a portable smartphone was developed. Furthermore, the portable test kit has been applied to the detection of N2H4 and ClO− in a real-world environment and food samples, and a series of good results have been achieved. Attractively, we demonstrated that XBT-CN@hydrogel was successfully applied as an encryption ink in the field of information security. Finally, the probe can also be used to monitor and distinguish N2H4 and ClO− in living cells, exhibiting excellent biocompatibility and low cytotoxicity.
Removal of Fluoride from Aqueous Solution Using Shrimp Shell Residue as a Biosorbent after Astaxanthin Recovery
Authors: Li Yan , Zhang Lili , Liao Minru , Huang Chao , Gao Jing
Published: May 2023

Natural astaxanthin has been widely used in the food, cosmetic, and medicine industries due to its exceptional biological activity. Shrimp shell is one of the primary natural biological sources of astaxanthin. However, after astaxanthin recovery, there is still a lot of chitin contained in the residues. In this study, the residue from shrimp (Penaeus vannamei) shells after astaxanthin extraction using ionic liquid (IL) 1-ethyl-3-methyl-imidazolium acetate ([Emim]Ac) was used as a bioadsorbent to remove fluoride from the aqueous solution. The results show the IL extraction conditions, including the solid/liquid ratio, temperature, time, and particle size, all played important roles in the removal of fluoride by the shrimp shell residue. The shrimp shells treated using [Emim]Ac at 100 °C for 2 h exhibited an obvious porous structure, and the porosity showed a positive linear correlation with defluorination (DF, %). Moreover, the adsorption process of fluoride was nonspontaneous and endothermic, which fits well with both the pseudo-second-order and Langmuir models. The maximum adsorption capacity calculated according to the Langmuir model is 3.29 mg/g, which is better than most bioadsorbents. This study provides a low-cost and efficient method for the preparation of adsorbents from shrimp processing waste to remove fluoride from wastewater.
Supercritical Fluid Extraction of Essential Oil and Sclareol from a Clary Sage Concrete
Authors: Zanotti Alessandra , Baldino Lucia , Scognamiglio Mariarosa , Reverchon Ernesto
Published: May 2023

Clary Sage extracts are of industrial interest: in particular, sclareol shows a strong pharmaceutical potential. Supercritical fluid extraction was used to recover compounds of interest from a Salvia sclarea L. waxy n-hexane extract (“concrete”), using semi-continuous fractionation and a multi-step extraction strategy. Multi-step extraction experiments were carried out in two phases: the first one operated at 90 bar and 50 °C; the second one at 100 bar and 40 °C. GC-MS traces showed that during the first extraction step, only lighter compounds (e.g., monoterpenes, sesquiterpenes, and derivatives) were collected, whereas, in the second step, only sclareol and related compounds were recovered. By adjusting operating conditions (temperature and pressure), selective extraction of different families of compounds was accomplished, with no further need for post-processing of the products. Moreover, using two separators in series, the compounds of interest were fractionated from paraffins and, by changing the operating conditions, the extraction yield increased from about 6.0% to 9.3% w/w as CO2 density increased.
(-)-Epigallocatechin-3-Gallate Attenuates the Adverse Reactions Triggered by Selenium Nanoparticles without Compromising Their Suppressing Effect on Peritoneal Carcinomatosis in Mice Bearing Hepatocarcinoma 22 Cells
Authors: Ban Qiuyan , Chi Wenjing , Wang Xiaoxiao , Wang Shiqiong , Hai Dan , Zhao Guangshan , Zhao Qiuyan , Granato Daniel , Huang Xianqing
Published: May 2023

Increasing evidence shows that selenium and polyphenols are two types of the most reported compounds in tumor chemoprevention due to their remarkable antitumor activity and high safety profile. The cross-talk between polyphenols and selenium is a hot research topic, and the combination of polyphenols and selenium is a valuable strategy for fighting cancer. The current work investigated the combination anti-peritoneal carcinomatosis (PC) effect of selenium nanoparticles (SeNPs) and green tea (Camellia sinensis) polyphenol (-)-epigallocatechin-3-gallate (EGCG) in mice bearing murine hepatocarcinoma 22 (H22) cells. Results showed that SeNPs alone significantly inhibited cancer cell proliferation and extended the survival time of mice bearing H22 cells. Still, the potential therapeutic efficacy is accompanied by an approximately eighty percent diarrhea rate. When EGCG was combined with SeNPs, EGCG did not affect the tumor proliferation inhibition effect but eliminated diarrhea triggered by SeNPs. In addition, both the intracellular selectively accumulated EGCG without killing effect on cancer cells and the enhanced antioxidant enzyme levels in ascites after EGCG was delivered alone by intraperitoneal injection indicated that H22 cells were insensitive to EGCG. Moreover, EGCG could prevent SeNP-caused systemic oxidative damage by enhancing serum superoxide dismutase, glutathione, and glutathione peroxidase levels in healthy mice. Overall, we found that H22 cells are insensitive to EGCG, but combining EGCG with SeNPs could protect against SeNP-triggered diarrhea without compromising the suppressing efficacy of SeNPs on PC in mice bearing H22 cells and attenuate SeNP-caused systemic toxicity in healthy mice. These results suggest that EGCG could be employed as a promising candidate for preventing the adverse reactions of chemotherapy including chemotherapy-induced diarrhea and systemic toxicity in cancer individuals.
Diffusiophoresis of a Weakly Charged Liquid Metal Droplet
Authors: Fan Leia , Lin Jason , Yu Annie , Chang Kevin , Tseng Jessica , Su Judy , Chang Amy , Lu Shirley , Lee Eric
Published: May 2023

Diffusiophoresis of a weakly charged liquid metal droplet (LMD) is investigated theoretically, motivated by its potential application in drug delivery. A general analytical formula valid for weakly charged condition is adopted to explore the droplet phoretic behavior. We determined that a liquid metal droplet, which is a special category of the conducting droplet in general, always moves up along the chemical gradient in sole chemiphoresis, contrary to a dielectric droplet where the droplet tends to move down the chemical gradient most of the time. This suggests a therapeutic nanomedicine such as a gallium LMD is inherently superior to a corresponding dielectric liposome droplet in drug delivery in terms of self-guiding to its desired destination. The droplet moving direction can still be manipulated via the polarity dependence; however, there should be an induced diffusion potential present in the electrolyte solution under consideration, which spontaneously generates an extra electrophoresis component. Moreover, the smaller the conducting liquid metal droplet is, the faster it moves in general, which means a smaller LMD nanomedicine is preferred. These findings demonstrate the superior features of an LMD nanomedicine in drug delivery.
Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies
Authors: Bassani Davide , Moro Stefano
Published: May 2023

The application of computational approaches in drug discovery has been consolidated in the last decades. These families of techniques are usually grouped under the common name of “computer-aided drug design” (CADD), and they now constitute one of the pillars in the pharmaceutical discovery pipelines in many academic and industrial environments. Their implementation has been demonstrated to tremendously improve the speed of the early discovery steps, allowing for the proficient and rational choice of proper compounds for a desired therapeutic need among the extreme vastness of the drug-like chemical space. Moreover, the application of CADD approaches allows the rationalization of biochemical and interactive processes of pharmaceutical interest at the molecular level. Because of this, computational tools are now extensively used also in the field of rational 3D design and optimization of chemical entities starting from the structural information of the targets, which can be experimentally resolved or can also be obtained with other computer-based techniques. In this work, we revised the state-of-the-art computer-aided drug design methods, focusing on their application in different scenarios of pharmaceutical and biological interest, not only highlighting their great potential and their benefits, but also discussing their actual limitations and eventual weaknesses. This work can be considered a brief overview of computational methods for drug discovery.
Selective Catalytic Epoxidation–Hydration of α-Pinene with Hydrogen Peroxide to Sobrerol by Durable Ammonium Phosphotungstate Immobilized on Imidazolized Activated Carbon
Authors: Zheng Min , Li Xiangzhou , Xun Youyi , Wang Jianhua , Yin Dulin
Published: May 2023

It is presented that the activated carbon was carboxylated with hydrogen peroxide and then acylated with 2-methylimidazole to prepare the porous carbon support with a surface imidazolated modification. Through the adsorption of phosphotungstic acid on the fundamental site of an imidazolyl group and then adjusting the acid strength with the ammonia molecule, a catalytic carbon material immobilized with ammonium phosphotungstate (AC-COIMO-NH4PW) was obtained, which was used to catalyze a one-pot reaction of convenient α-pinene and hydrogen peroxide to sobrerol. The bifunctional active site originated from the dual property of ammonium phosphotungstate, as the oxidant and acid presenting a cooperatively catalytic performance, which effectively catalyzes the tandem epoxidation–isomerization–hydration of α-pinene to sobrerol, in which the solvent effect of catalysis simultaneously exists. The sobrerol selectivity was significantly improved after the acid strength weakening by ammonia. Monomolecular chemical bonding and anchoring of ammonium phosphotungstate at the basic site prevented the loss of the active catalytic species, and the recovered catalyst showed excellent catalytic stability in reuse. Using acetonitrile as the solvent at 40 °C for 4 h, the conversion of α-pinene could reach 90.6%, and the selectivity of sobrerol was 40.5%. The results of five cycles show that the catalyst presents excellent stability due to the tight immobilization of ammonium phosphotungstate bonding on the imidazolized activated carbon, based on which a catalytic-cycle mechanism is proposed for the tandem reaction.
Serum, Urine, and Fecal Metabolome Alterations in the Gut Microbiota in Response to Lifestyle Interventions in Pediatric Obesity: A Non-Randomized Clinical Trial
Authors: Lee Yujin , Cho Joo-Youn , Cho Ky Young
Published: May 2023

Pediatric obesity is associated with alterations in the gut microbiota and its metabolites. However, how they influence obesity and the effect of lifestyle interventions remains unknown.. In this non-randomized clinical trial, we analyzed metabolomes and microbial features to understand the associated metabolic pathways and the effect of lifestyle interventions on pediatric obesity. Anthropometric/biochemical data and fasting serum, urine, and fecal samples were collected at baseline and after an eight-week, weight-reduction lifestyle modification program. Post-intervention, children with obesity were classified into responder and non-responder groups based on changes in total body fat. At baseline, serum L-isoleucine and uric acid levels were significantly higher in children with obesity compared with those in normal-weight children and were positively correlated with obesogenic genera. Taurodeoxycholic and tauromuricholic α + β acid levels decreased significantly with obesity and were negatively correlated with obesogenic genera. Branched-chain amino acid and purine metabolisms were distinguished metabolic pathways in the obese group. Post-intervention, urinary myristic acid levels decreased significantly in the responder group, showing a significant positive correlation with Bacteroides. Fatty acid biosynthesis decreased significantly in the responder group. Thus, lifestyle intervention with weight loss is associated with changes in fatty acid biosynthesis, and myristic acid is a possible therapeutic target for pediatric obesity.
Post-Prandial Cognitive and Blood Pressure Effects of a DHA-Rich Omega-3 Powder in Middle-Aged Males: A Pilot Study
Authors: Pipingas Andrew , Reddan Jeffery Michael , Gauci Sarah , Young Lauren M. , Kennedy Greg , Rowsell Renee , King Rebecca , Spiteri Sam , Minihane Anne Marie , Scholey Andrew
Published: May 2023

The use of omega-3 polyunsaturated fatty acid (ω-3 PUFA) supplements is increasingly common among middle-aged and older adults. Users of ω-3 PUFA supplements often report using such supplements to support cognitive health, despite mixed findings reported within the ω-3 PUFA literature. To date, very few studies have explored cognitive effects in distinctly middle-aged (40 to 60 years) adults, and none have examined the acute effects (in the hours following a single dose) on cognitive performance. The current study evaluated whether a single dose of ω-3 PUFA (4020 mg docosahexaenoic acid and 720 mg eicosapentaenoic acid) influences cognitive performance and cardiovascular function in middle-aged males. Cognitive performance and cardiovascular function were assessed before and 3.5–4 h after consumption of a high dose of ω-3 PUFA (DHA + EPA) or placebo, incorporated into a standardized meal (i.e., single serve of Greek yogurt). In this study of middle-aged males, no significant differential treatment effects were observed for cognitive performance. However, a significant reduction in aortic systolic blood pressure (pre-dose to post-dose) was apparent following consumption of the ω-3 PUFA (DHA + EPA) treatment (mean difference = −4.11 mmHg, p = 0.004) but not placebo (mean difference = −1.39 mmHg, p = 0.122). Future replication in a sample comprising females, as well as patients with hypertension, is merited.
Genetic Characterization and Evolution of Porcine Deltacoronavirus Isolated in the Republic of Korea in 2022
Authors: Kim Hye-Ryung , Park Jonghyun , Lee Kyoung-Ki , Jeoung Hye-Young , Lyoo Young S. , Park Seung-Chun , Park Choi-Kyu
Published: May 2023

Porcine deltacoronavirus (PDCoV) is an emerging coronavirus that causes diarrhea in nursing piglets. Since its first outbreak in the United States in 2014, this novel porcine coronavirus has been detected worldwide, including in Korea. However, no PDCoV case has been reported since the last report in 2016 in Korea. In June 2022, the Korean PDCoV strain KPDCoV-2201 was detected on a farm where sows and piglets had black tarry and watery diarrhea, respectively. We isolated the KPDCoV-2201 strain from the intestinal samples of piglets and sequenced the viral genome. Genetically, the full-length genome and spike gene of KPDCoV-2201 shared 96.9–99.2% and 95.8–98.8% nucleotide identity with other global PDCoV strains, respectively. Phylogenetic analysis suggested that KPDCoV-2201 belongs to G1b. Notably, the molecular evolutionary analysis indicated that KPDCoV-2201 evolved from a clade different from that of previously reported Korean PDCoV strains and is closely related to the emergent Peruvian and Taiwanese PDCoV strains. Furthermore, KPDCoV-2201 had one unique and two Taiwanese strain-like amino acid substitutions in the receptor-binding domain of the S1 region. Our findings suggest the possibility of transboundary transmission of the virus and expand our knowledge about the genetic diversity and evolution of PDCoV in Korea.
Comprehensive Characterization of a Streptococcus agalactiae Phage Isolated from a Tilapia Farm in Selangor, Malaysia, and Its Potential for Phage Therapy
Authors: Megat Mazhar Khair Megat Hamzah , Tee An Nie , Wahab Nurul Fazlin , Othman Siti Sarah , Goh Yong Meng , Masarudin Mas Jaffri , Chong Chou Min , In Lionel Lian Aun , Gan Han Ming , Song Adelene Ai-Lian
Published: May 2023

The Streptococcus agalactiae outbreak in tilapia has caused huge losses in the aquaculture industry worldwide. In Malaysia, several studies have reported the isolation of S. agalactiae, but no study has reported the isolation of S. agalactiae phages from tilapia or from the culture pond. Here, the isolation of the S. agalactiae phage from infected tilapia is reported and it is named as vB_Sags-UPM1. Transmission electron micrograph (TEM) revealed that this phage showed characteristics of a Siphoviridae and it was able to kill two local S. agalactiae isolates, which were S. agalactiae smyh01 and smyh02. Whole genome sequencing (WGS) of the phage DNA showed that it contained 42,999 base pairs with 36.80% GC content. Bioinformatics analysis predicted that this phage shared an identity with the S. agalactiae S73 chromosome as well as several other strains of S. agalactiae, presumably due to prophages carried by these hosts, and it encodes integrase, which suggests that it was a temperate phage. The endolysin of vB_Sags-UPM1 termed Lys60 showed killing activity on both S. agalactiae strains with varying efficacy. The discovery of the S. agalactiae temperate phage and its antimicrobial genes could open a new window for the development of antimicrobials to treat S. agalactiae infection.
Preliminary Study on Automatic Detection of Hard Defects in Integrated Circuits Based on Thermal Laser Stimulation
Authors: Wu Wenjian , Ma Yingqi , Cai Minghui , Han Jianwei
Published: May 2023

Locating the fault position is a crucial part of the failure mechanism analysis of integrated circuits. This paper proposes a hard defect locating system based on Thermal Laser Stimulation (TLS) technology. The equation for laser-induced changes in the electrical parameters of semiconductor devices is a good guide to the hardware and software design of the hard defect locating system. The scanning mode of fast total scanning combined with slow point-to-point scanning can quickly locate abnormal areas. A modified median absolute difference (MAD) method is applied to the extraction of anomalous data. The system software can automatically and collaboratively control the 3D mobile station, laser, and signal acquisition unit. It also can intuitively display the distribution of abnormal points on the infrared image. Using a failure MRAM chip and a good one to conduct a comparative test, the abnormal points distributed on the infrared image of the chip indicate that the failure area is in the digital module or eFuse module of the chip, and the Emission Microscopy (EMMI) experiment also verifies the accuracy of the test system.
The Tomato Feruloyl Transferase FHT Promoter Is an Accurate Identifier of Early Development and Stress-Induced Suberization
Authors: Kashyap Anurag , Jiménez-Jiménez Álvaro , Figueras Mercè , Serra Olga , Valls Marc , Coll Nuria S.
Published: May 2023

As a wall polymer, suberin has a multifaceted role in plant development and stress responses. It is deposited between the plasma membrane and the primary cell wall in specialized tissues such as root exodermis, endodermis, phellem, and seed coats. It is formed de novo in response to stresses such as wounding, salt injury, drought, and pathogen attack and is a complex polyester mainly consisting of fatty acids, glycerol, and minor amounts of ferulic acid that are associated to a lignin-like polymer predominantly composed of ferulates. Metabolomic and transcriptomic studies have revealed that cell wall lignification precedes suberin deposition. The ferulic acid esterified to ω-hydroxy fatty acids, synthetized by the feruloyl transferase FHT (or ASFT), presumably plays a role in coupling both polymers, although the precise mechanism is not understood. Here, we use the promoter of tomato suberin feruloyl transferase (FHT/ASFT) fused to GUS (β-glucuronidase) to demonstrate that ferulate deposition agrees with the site of promoter FHT activation by using a combination of histochemical staining and UV microscopy. Hence, FHT promoter activation and alkali UV microscopy can be used to identify the precise localization of early suberizing cells rich in ferulic acid and can additionally be used as an efficient marker of early suberization events during plant development and stress responses. This line can be used in the future as a tool to identify emerging suberization sites via ferulate deposition in tomato plants, which may contribute to germplasm screening in varietal improvement programs.