bluuebunny/crossref_metadata_2025 huggingface dataset:
Dehydroxylation of Kaolinite Tunes Metal Oxide–Nanoclay Interactions for Enhancing Antibacterial Activity
Authors: Wang Dongyue , Meng Yuhang , Tang Aidong , Yang Huaming
Published: August 2022

Engineered nanoparticle–support interaction is an effective strategy for tuning the structures and performance of engineered nanoparticles. Here, we show that tuning the dehydroxylation of kaolinite nanoclay as the support could induce zinc oxide–kaolinite interactions. We used free energy theory, electron microscopy, and X-ray photoemission spectroscopy to identify interaction strengths between metal oxides and the underlying nanoclay induced by dehydroxylation. Desirable exposure of nanoparticle sites and the geometrical and crystal structure were obtained by tuning the interface interactions between ZnO nanoparticles and nanoclay. The surface free energy of zinc oxide–nanoclay results in different interfacial interactions, and the properties of the surface free energy electron-donating (γ−) and electron-accepting (γ+) parameters have significant effects on the electron acceptor. This could, in turn, promote stronger interactions between zinc oxide and the kaolinite surface, which produce more active (0001) Zn-polar surfaces with promoting zinc oxide nanoparticles growing along the <0001> direction. Reactive oxygen species, leached zinc ions, and electron transfer can modulate the antibacterial activities of the samples as a function of interface free energy. This further demonstrates the interfacial interactions induced by dehydroxylation. This work has new application potential in biomedicine and materials science.
Pore Evolution Characteristics of Marine Organic-Rich Shale Based on a Pyrolysis Simulation Experiment
Authors: Zhao Xin , Zhou Wen , Xu Hao , Chen Wenling , Jiang Ke
Published: August 2022

The pore evolution characteristics of organic-rich shale under semiclosed and open-system conditions were investigated through a pyrolysis simulation experiment conducted on marine low-maturity shale. The results show that the experimental samples of the two systems mainly developed organic pores, clay mineral intergranular pores, and brittle mineral dissolution pores during the evolution process. The shale porosity showed a non-linear growth trend with the thermal maturity increase. However, the porosity increase rate of the semiclosed system was higher than that of the open system. The pore structure characterization parameters of the experimental samples under the two systems were quite different. The samples of the semiclosed system developed wedge- or V-shaped pores with a diameter of several tens of nanometers, while those of the open system developed more small throats with a diameter of several nanometers to ink bottle-type and closed pores of tens of nanometers. For the marine organic-rich shale, the organic matter (OM) evolution was mainly affected by the formation pressure. In summary, a semiclosed system with a higher formation pressure is more conducive to the development of organic pores and the pore structure than an open system with a lower formation pressure. The best stage of pore evolution and development is the overmature stage.
A Green Analytical Method Combined with Chemometrics for Traceability of Tomato Sauce Based on Colloidal and Volatile Fingerprinting
Authors: Zappi Alessandro , Marassi Valentina , Kassouf Nicholas , Giordani Stefano , Pasqualucci Gaia , Garbini Davide , Roda Barbara , Zattoni Andrea , Reschiglian Pierluigi , Melucci Dora
Published: August 2022

Tomato sauce is a world famous food product. Despite standards regulating the production of tomato derivatives, the market suffers frpm fraud such as product adulteration, origin mislabelling and counterfeiting. Methods suitable to discriminate the geographical origin of food samples and identify counterfeits are required. Chemometric approaches offer valuable information: data on tomato sauce is usually obtained through chromatography (HPLC and GC) coupled to mass spectrometry, which requires chemical pretreatment and the use of organic solvents. In this paper, a faster, cheaper, and greener analytical procedure has been developed for the analysis of volatile organic compounds (VOCs) and the colloidal fraction via multivariate statistical analysis. Tomato sauce VOCs were analysed by GC coupled to flame ionisation (GC-FID) and to ion mobility spectrometry (GC-IMS). Instead of using HPLC, the colloidal fraction was analysed by asymmetric flow field-fractionation (AF4), which was applied to this kind of sample for the first time. The GC and AF4 data showed promising perspectives in food-quality control: the AF4 method yielded comparable or better results than GC-IMS and offered complementary information. The ability to work in saline conditions with easy pretreatment and no chemical waste is a significant advantage compared to environmentally heavy techniques. The method presented here should therefore be taken into consideration when designing chemometric approaches which encompass a large number of samples.
Predictive Evaluation of Microbiological Stability of Soft Drinks with Lycium barbarum L. Stored at Temperature Shifts
Authors: Plucińska Aleksandra , Marczak Aleksandra , Kunicka-Styczyńska Alina , Baryga Andrzej
Published: August 2022

Lycium barbarum L., used in Chinese traditional medicine for centuries, has gained popularity in Europe in the last decade because of its health-promoting properties assigned to phenolic compounds and antioxidant activity. Goji fruits and extracts are often used as ingredients in popular homemade milk cocktails. Within this study, the microbiological stability of the milkshake, with the addition of berries from NingXia Province and their extract, was evaluated using the ComBase® prognostic model. The extraction of dry berries in water at 70 °C for 72 h produced an extract showing radical inhibition of 64.9% and a total phenol content of 63.6 mg g−1. The phenolic compounds with the highest concentrations were in turn: 3-hydroxybenzoic acid, gallic acid, procyanidin B2, and catechin. The milkshake inoculated with the reference B. subtilis was a model for the study of its microbiological stability. Using ComBase®, a microbiological response to the delayed cooling of goji berry extract and the milkshake with the addition of goji berries was predicted and the model’s accuracy assessed. The best-performing models were constructed for extract (Bias factor Bf 1.33, Accuracy factor Af 3.43) and milkshake (Bf 1.29, Af 1.65) in a profile simulating delayed refrigeration (22.5 °C–9 °C–23 °C). Despite discrepancies between predicted and observed bacterial growth due to the antimicrobial effect of the derivatives of goji berries, the models were validated as „overpredict”, i.e., „fail safe”, and may be used to prognose the stability of these products in the given temperature profile.
Determination of Local Anesthetic Drugs in Human Plasma Using Magnetic Solid-Phase Extraction Coupled with High-Performance Liquid Chromatography
Authors: Liang Shan-Yan , Shi Fang , Zhao Yong-Gang , Wang Hong-Wei
Published: August 2022

In this work, magnetic tetraethylenepentamine (TEPA)-modified carboxyl–carbon nanotubes were synthesized, characterized, and used as adsorbents to conduct magnetic solid-phase extraction (MSPE) for the preconcentration of seven local anesthetic drugs (procaine, lidocaine, mepivacaine, oxybuprocaine, bupivacaine, tetracaine, and cinchocaine) from human plasma. The separation and determination of analytes were performed on high-performance liquid chromatography with UV detection. Several factors affected the extraction efficiency, such as the amount of adsorbents used, extraction time, sample pH, and optimization of elution conditions. Under optimal conditions, satisfactory linear relationships were obtained in the range of 0.02–5.00 mg/L, with the limits of detection (LOD) ranging from 0.003 mg/L to 0.008 mg/L. The recoveries of analytes for spiked human plasma were in the range of 82.0–108%. Moreover, the precision with intra-day and inter-day RSD values were obtained in the range of 1.5–7.7% and 1.5–8.3%. The results indicated that this method could determine the concentration of seven local anesthetic drugs in human plasma with high precision and repeatability and provide support for the clinical monitoring of the concentration of local anesthetic drugs in human plasma.
Fabrication and Evaluation of Gellan Gum/Hyaluronic Acid Hydrogel for Retinal Tissue Engineering Biomaterial and the Influence of Substrate Stress Relaxation on Retinal Pigment Epithelial Cells
Authors: Youn Jina , Choi Joo Hee , Lee Sumi , Lee Wonchan , Lee Seong Won , Kim Wooyoup , Song Youngeun , Tumursukh Nomin-Erdene , Song Jeong Eun , Khang Gilson
Published: August 2022

Cell therapies for age-related macular degeneration (AMD) treatment have been developed by integrating hydrogel-based biomaterials. Until now, cell activity has been observed only in terms of the modulus of the hydrogel. In addition, cell behavior has only been observed in the 2D environment of the hydrogel and the 3D matrix. As time-dependent stress relaxation is considered a significant mechanical cue for the control of cellular activities, it is important to optimize hydrogels for retinal tissue engineering (TE) by applying this viewpoint. Herein, a gellan Gum (GG)/Hyaluronic acid (HA) hydrogel was fabricated using a facile physical crosslinking method. The physicochemical and mechanical properties were controlled by forming a different composition of GG and HA. The characterization was performed by conducting a mass swelling study, a sol fraction study, a weight loss test, a viscosity test, an injection force study, a compression test, and a stress relaxation analysis. The biological activity of the cells encapsulated in 3D constructs was evaluated by conducting a morphological study, a proliferation test, a live/dead analysis, histology, immunofluorescence staining, and a gene expression study to determine the most appropriate material for retinal TE biomaterial. Hydrogels with moderate amounts of HA showed improved physicochemical and mechanical properties suitable for injection into the retina. Moreover, the time-dependent stress relaxation property of the GG/HA hydrogel was enhanced when the appropriate amount of HA was loaded. In addition, the cellular compatibility of the GG/HA hydrogel in in vitro experiments was significantly improved in the fast-relaxing hydrogel. Overall, these results demonstrate the remarkable potential of GG/HA hydrogel as an injectable hydrogel for retinal TE and the importance of the stress relaxation property when designing retinal TE hydrogels. Therefore, we believe that GG/HA hydrogel is a prospective candidate for retinal TE biomaterial.
Correction: Babich et al. Modern Trends in the In Vitro Production and Use of Callus, Suspension Cells and Root Cultures of Medicinal Plants. Molecules 2020, 25, 5805
Authors: Babich Olga , Sukhikh Stanislav , Pungin Artem , Ivanova Svetlana , Asyakina Lyudmila , Prosekov Alexander
Published: August 2022

In the original publication [...]
Exploring the Mechanism of Ionic Liquids to Improve the Extraction Efficiency of Essential Oils Based on Density Functional Theory and Molecular Dynamics Simulation
Authors: Luo Xiaorong , Wang Fen , Wang Guihua , Li Hui
Published: August 2022

In this paper, Amomi fructus (Latin) was used to explore the mechanism of ionic liquids (ILs) in improving the extraction efficiency of essential oils. Microwave assisted ionic liquid treatment followed by a hydro-distillation (MILT-HD) process for isolating Amomi fructus essential oil was optimized by multi-objective optimization. Under optimum operating conditions, the IL-assisted extraction method not only enhances extraction efficiency but also reduces energy demands and CO2 emissions. Since the hydrogen bond structure network of cellulose in the cell wall is an important reason for hindering diffusion of essential oils, the mechanism of ILs was explored by density functional theoretical (DFT) and molecular dynamics (MD) simulations. According to DFT calculations, ILs can facilitate the cleavage of cellulose chains and have strong non-covalent interactions with cellulose. Based on the MD simulations, the degree of destruction of the cellulose hydrogen bond structure was explored. According to the DFT and MD simulations, the ILs can significantly destroy cellulose structure, thereby promoting essential oil release from the plant. These results were confirmed by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). This work is conducive to better understand the MILT-HD process for isolating essential oil and comprehensively understand the mechanism of ILs in the extraction process.
Immortelle (Helichrysum italicum (Roth) G. Don) Essential Oil Showed Antibacterial and Biofilm Inhibitory Activity against Respiratory Tract Pathogens
Authors: Balázs Viktória L. , Filep Rita , Répás Fanni , Kerekes Erika , Szabó Péter , Kocsis Béla , Böszörményi Andrea , Krisch Judit , Horváth Györgyi
Published: August 2022

The biofilm formation of bacteria in different parts of the human body can influence the success of antibiotic therapy. Essential oils (EOs) and their components are becoming increasingly popular in point of view of medicinal applications, because of their antibacterial efficacy. The immortelle EO has been used traditionally as an expectorant; however, there are no studies summarizing its antibacterial effect against respiratory tract bacteria. Our aim was to investigate the antibacterial and biofilm inhibitory activity of immortelle (Helichrysum italicum) EO against respiratory tract pathogens such as Haemophilus influenzae, H. parainfluenzae, Pseudomonas aeruginosa and Streptococcus pneumoniae. In order to prove the antibacterial effect of the immortelle EO, broth microdilution and biofilm inhibition tests, and membrane damage assay were investigated. Scanning electron microscopy was used to identify the structural modifications in bacterial cells. Our results showed that immortelle EO has antibacterial and anti-biofilm effects against respiratory tract bacteria used in this study. H. parainfluenzae was the most sensitive to each treatment, however, P. aeruginosa was the most resistant bacteria. In conclusion, the studied EO may have a role in the treatment of respiratory tract infections due to their antibacterial and anti-biofilm activity.
Three New Xanthones from Hypericum scabrum and Their Quorum Sensing Inhibitory Activities against Chromobacterium violaceum
Authors: Teng Li-Ping , Zeng Hong , Yang Cai-Yan , Wang He-Bin , Zhou Zhong-Bo
Published: August 2022

Quorum sensing (QS) plays an important role in the production of virulence factors and pathogenicity in pathogenic bacteria and is, therefore, a hopeful target to fight against bacterial infections. During our search for natural QS inhibitors, two new xanthonolignoids (1 and 2), each existing as a racemic mixture, one new simple oxygenated xanthone (7), and eight known analogs (3–6, 8–11) were isolated from Hypericum scabrum Linn. Chiral separation of 1 yielded a pair of enantiomers 1a and 1b. The structures of these compounds were elucidated by spectroscopic analysis and ECD (electrostatic circular dichroism) calculations. All isolates were evaluated for their QS inhibitory activity against Chromobacterium violaceum. Both 9 and 10 exhibited the most potent QS inhibitory effects with minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values of 31.25 and 62.5 μM, respectively. Crystal violet staining was used to further evaluate the biofilm inhibition potential of compounds 7, 9 and 10, and the formation of biofilms increased with decreasing drug concentration in a classic dose-dependent manner. The results of a cytotoxicity assay revealed that compounds 7, 9 and 10 exhibited no cytotoxic activity on PC-12 cells at the tested concentration.
Water-Soluble Single-Benzene Chromophores: Excited State Dynamics and Fluorescence Detection
Authors: Fan Yingge , Ma Jin , Liu Huijing , Liu Taihong
Published: August 2022

Two water-soluble single-benzene-based chromophores, 2,5-di(azetidine-1-yl)-tereph- thalic acid (DAPA) and its disodium carboxylate (DAP-Na), were conveniently obtained. Both chromophores preserved moderate quantum yields in a wide range of polar and protonic solvents. Spectroscopic studies demonstrated that DAPA exhibited red luminescence as well as large Stokes shift (>200 nm) in aqueous solutions. Femtosecond transient absorption spectra illustrated quadrupolar DAPA usually involved the formation of an intramolecular charge transfer state. Its Frank–Condon state could be rapidly relaxed to a slight symmetry-breaking state upon light excitation following the solvent relaxation, then the slight charge separation may occur and the charge localization became partially asymmetrical in polar environments. Density functional theory (DFT) calculation results were supported well with the experimental measurements. Unique pH-dependent fluorescent properties endows the two chromophores with rapid, highly selective, and sensitive responses to the amino acids in aqueous media. In detail, DAPA served as a fluorescence turn-on probe with a detection limit (DL) of 0.50 μM for Arg and with that of 0.41 μM for Lys. In contrast, DAP-Na featured bright green luminescence and showed fluorescence turn-off responses to Asp and Glu with the DLs of 0.12 μM and 0.16 μM, respectively. Meanwhile, these two simple-structure probes exhibited strong anti-interference ability towards other natural amino acids and realized visual identification of specific analytes. The present work helps to understand the photophysic–structure relationship of these kinds of compounds and render their fluorescent detection applications.
Application of Calcium Citrate in the Manufacture of Acid Rennet Cheese Produced from High-Heat-Treated Goat’s Milk from Spring and Autumn Season
Authors: Pawlos Małgorzata , Znamirowska-Piotrowska Agata , Kowalczyk Magdalena , Zaguła Grzegorz
Published: August 2022

The stability of milk proteins is affected by changes in the pH value of milk, the heating temperature, and the addition of calcium compounds or chelating agents, which can cause alterations in calcium distribution. The purpose of this study was to determine the potential of the use of calcium citrate to manufacture fresh acid rennet cheese from high-temperature-pasteurized goat’s milk (90 °C, 15 s) from the spring and autumn season and the effect of the calcium dose used on the physicochemical and organoleptic properties of the cheese. Autumn milk was found to be a richer source of total solids, confirming the effect of the production season on milk quality. The applied doses of calcium did not cause the denaturation of goat milk proteins and allowed pasteurization to take place at 90 °C for 15 s. The addition of calcium citrate resulted in a significant increase in the pH value of milk and cheese compared to the control sample. Adding 15 and 20 mg of Ca 100 g−1 to milk as citrate had the most beneficial effect on increasing protein retention in cheese in both seasons, showing a rise from 1.33% to 2.40%. The production season significantly influenced the cheese yield. The control goat cheese from the autumn season showed a 6.85% higher yield compared to the spring cheese. An increase in cheese yield was also observed as the calcium dose of milk increased. The content of micro- and microelements in cheese was affected by the production season. The addition of calcium citrate to milk resulted in a significant increase in the calcium content of cheese—from 120.83 to 147.45 mg 100 g−1 in the spring season and from 130.66 to 151.21 mg 100 g−1 in the autumn season. Increasing the dose of calcium increased the hardness of cheese samples by 1.37 N in the spring and 0.90 N in the autumn. The organoleptic evaluation showed that adding calcium to milk did not significantly affect the organoleptic characteristics of goat cheese.
A Molecular Mechanics Energy Partitioning Software for Biomolecular Systems
Authors: Fernandes Henrique S. , Cerqueira Nuno M. F. S. A. , Sousa Sérgio F. , Melo André
Published: August 2022

The partitioning of the molecular mechanics (MM) energy in calculations involving biomolecular systems is important to identify the source of major stabilizing interactions, e.g., in ligand–protein interactions, or to identify residues with considerable contributions in hybrid multiscale calculations, i.e., quantum mechanics/molecular mechanics (QM/MM). Here, we describe Energy Split, a software program to calculate MM energy partitioning considering the AMBER Hamiltonian and parameters. Energy Split includes a graphical interface plugin for VMD to facilitate the selection of atoms and molecules belonging to each part of the system. Energy Split is freely available at or can be easily installed through the VMD Store.
1H NMR Metabolomics of Chinese Human Milk at Different Stages of Lactation among Secretors and Non-Secretors
Authors: Kortesniemi Maaria , Jafari Tahereh , Zhang Yumei , Yang Baoru
Published: August 2022

Human milk is an intricate, bioactive food promoting infant health. We studied the composition of human milk samples collected over an 8-month lactation using 1H NMR metabolomics. A total of 72 human breast milk samples were collected from ten Chinese mothers at eight different time points. The concentrations of ten human milk oligosaccharides (HMOs), fucose and lactose were quantified. Six of the mothers were classified as Lewis-positive secretors (Se+Le+) and four as Lewis-positive non-secretors (Se−Le+) based on the levels of 2′-fucosyllactose (2′-FL), lacto-N-fucopentaose (LNFP) II, lactodifucotetraose (LDFT) and lacto-N-neotetraose (LNnT). Acetate, citrate, short/medium-chain fatty acids, glutamine and urea showed a time-dependent trend in relation to the stage of lactation. The concentrations of 2′-FL, 3-FL (3-fucosyllactose), 3′-SL (3′-sialyllactose), LDFT, LNFP I, LNFP II, LNFP III, LNnT, LNT (lacto-N-tetraose), and fucose were statistically different between secretors and non-secretors. A temporal difference of approximately 1–2 months between the development of non-secretor and secretor HMO profiles was shown. The results highlighted the importance of long-term breastfeeding, especially among non-secretors.
Extraction of Uranium in Nitric Media with Novel Asymmetric Tetra-Alkylcarbamide
Authors: Chen Qi , Li Baole , Wang Junli , Zhu Haowei , Chen Xiwen , Hu Yifu , Zhou Jia , Li Xiang , Zheng Weifang , Yan Taihong
Published: August 2022

The use of tetra-alkylcarbamides as novel ligands: N,N-butyl-N’,N’-hexylurea (L1: ABHU), and N,N-butyl-N’,N’-pentylurea (L2: ABPU), for the solvent extraction and complexation behaviors of uranium(VI) was synthesized and investigated in this study. The effects of HNO3 and NO3− concentrations in the aqueous phase on the distribution ratio of U(VI) were examined. Under 5 mol/L HNO3 concentration, DU reached 5.02 and 4.94 respectively without third-phase formation. During the extraction, slope measurements and IR spectral analysis revealed that the U(VI) complexes are a form of UO2(NO3)2·2L for both ligands. In addition, thermodynamic studies showed that the uranium extraction reaction was a spontaneous exothermic reaction. The deep structural analysis of the complexes was realized with DFT calculation. The bond length, bond properties, and topology of the complexes were discussed in detail to analyze the extraction behavior. This study enriches the coordination chemistry of U(VI) by tetra-alkylcarbamides, which may offer new clues for the design and synthesis of novel ligands for the separation, enrichment, and recovery of uranium in the nuclear fuel cycle.
Applications of Biodegradable Magnesium-Based Materials in Reconstructive Oral and Maxillofacial Surgery: A Review
Authors: Vujović Sanja , Desnica Jana , Stanišić Dragana , Ognjanović Irena , Stevanovic Momir , Rosic Gvozden
Published: August 2022

Reconstruction of defects in the maxillofacial region following traumatic injuries, craniofacial deformities, defects from tumor removal, or infections in the maxillofacial area represents a major challenge for surgeons. Various materials have been studied for the reconstruction of defects in the maxillofacial area. Biodegradable metals have been widely researched due to their excellent biological properties. Magnesium (Mg) and Mg-based materials have been extensively studied for tissue regeneration procedures due to biodegradability, mechanical characteristics, osteogenic capacity, biocompatibility, and antibacterial properties. The aim of this review was to analyze and discuss the applications of Mg and Mg-based materials in reconstructive oral and maxillofacial surgery in the fields of guided bone regeneration, dental implantology, fixation of facial bone fractures and soft tissue regeneration.
Antioxidative Properties and Acrylamide Content of Functional Wheat-Flour Cookies Enriched with Wild-Grown Fruits
Authors: Borczak Barbara , Sikora Marek , Kapusta-Duch Joanna , Fołta Maria , Szewczyk Agnieszka , Zięć Gabriela , Doskočil Ivo , Leszczyńska Teresa
Published: August 2022

This study aimed to evaluate the impact of widely grown fruits (wild roses, elderberries, sea buckthorns, rowans, chokeberries, and hawthorns) as a functional ingredient in wheat-flour cookie formulation on antioxidative properties with a simultaneous reduction of the carcinogen-like compound acrylamide. The organoleptic features of the cookies were assessed by a panel of consumers. The following parameters were measured: chemical composition, total polyphenols, polyphenolic profile, antioxidant activity, and acrylamide content. The overall ratings of the tested cookies with the addition of chokeberries, hawthorns, sea buckthorns, and elderberries were more than satisfactory, while wild rose and rowan cookies were the most widely accepted and best rated by the panelists. The antioxidant activity of the tested cookies was 1.1–15.22 μmol trolox·g−1 dm and 2.46–26.12 μmol Fe (II)·g−1 dm as measured by the ABTS and FRAP methods, respectively. All the fruit-enriched cookies had significantly higher antioxidative properties (p < 0.05) in comparison to the control cookies, but among the fruit-enriched cookies, there were differences in the quality and quantity of particular polyphenols. The acrylamide content was significantly decreased by 59% (hawthorn), 71% (rowan), 87% (wild rose), 89% (sea buckthorn), 91% (elderberry), and 94% (chokeberry) compared with the control cookies (p < 0.05). Cookies enriched with wild-grown fruits could constitute a promising novel snack food.
Mosquito Repellents: Efficacy Tests of Commercial Skin-Applied Products in China
Authors: Peng Zhe-Yu , He Mu-Zi , Zhou Ling-Yan , Wu Xin-Yu , Wang Lin-Min , Li Ni , Deng Sheng-Qun
Published: August 2022

As a prevention tool for mosquito-borne diseases, mosquito repellents have received substantial attention. To make a convincing recommendation for repellent products to Chinese consumers, we compared the protection time (landing time and probing time) of the 26 best-selling commercial repellents in the Chinese market in a controlled laboratory environment. The data were analyzed by one-way ANOVA. Meanwhile, prices and favorable rates of repellents are also taken into consideration. In our study, N, N-diethyl-m-toluamide (DEET)-based products provided the longest protection time (0.5–3.88 h landing time and/or 1–5.63 h probing time) and lower prices (13.9–21.9 yuan) than other components (ethyl butylacetylaminopropionate (IR3535), picaridin, and botanical. Among the 26 selected products, only 17 repellents showed repellency, and the best repellent was Green Jungle (15% DEET), with a mean (±SD) landing and/or probing time of 3.88 ± 1.65 h and/or 5.63 ± 0.36 h. For botanicals, only ICE King, OMNIbaby, and Ren He showed a little repellency. Autan (20% picaridin) performed best in the picaridin group. Run Ben (7% IR3535) stood out from the IR3535 group. In conclusion, DEET repellent is highly recommended to consumers. The combination of botanicals and synthesized chemicals is a new prospect for eco-friendly repellents.
Synthesis of Silver Nanoparticles-Modified Graphitic Carbon Nitride Nanosheets for Highly Efficient Photocatalytic Hydrogen Peroxide Evolution
Authors: Hou Jixiang , Zhang Xu , Wang Kaiwen , Ma Peijie , Hu Hanwen , Zhou Xiyuan , Zheng Kun
Published: August 2022

As a promising metal-free photocatalyst, graphitic carbon nitride (g-C3N4) is still limited by insufficient visible light absorption and rapid recombination of photogenerated carriers, resulting in low photocatalytic activity. Here, we adjusted the microstructure of the pristine bulk-g-C3N4 (PCN) and further loaded silver (Ag) nanoparticles. Abundant Ag nanoparticles were grown on the thin-layer g-C3N4 nanosheets (CNNS), and the Ag nanoparticles decorated g-C3N4 nanosheets (Ag@CNNS) were successfully synthesized. The thin-layer nanosheet-like structure was not only beneficial for the loading of Ag nanoparticles but also for the adsorption and activation of reactants via exposing more active sites. Moreover, the surface plasmon resonance (SPR) effect induced by Ag nanoparticles enhanced the absorption of visible light by narrowing the band gap of the substrate. Meanwhile, the composite band structure effectively promoted the separation and transfer of carriers. Benefiting from these merits, the Ag@CNNS reached a superior hydrogen peroxide (H2O2) yield of 120.53 μmol/g/h under visible light irradiation in pure water (about 8.0 times higher than that of PCN), significantly surpassing most previous reports. The design method of manipulating the microstructure of the catalyst combined with the modification of metal nanoparticles provides a new idea for the rational development and application of efficient photocatalysts.
Chronic Treatment with Melatonin Improves Hippocampal Neurogenesis in the Aged Brain and Under Neurodegeneration
Authors: Cachán-Vega Cristina , Vega-Naredo Ignacio , Potes Yaiza , Bermejo-Millo Juan Carlos , Rubio-González Adrian , García-González Claudia , Antuña Eduardo , Bermúdez Manuel , Gutiérrez-Rodríguez José , Boga José Antonio , Coto-Montes Ana , Caballero Beatriz
Published: August 2022

Adult hippocampal neurogenesis is altered during aging and under different neuropsychiatric and neurodegenerative diseases. Melatonin shows neurogenic and neuroprotective properties during aging and neuropathological conditions. In this study, we evaluated the effects of chronic treatment with melatonin on different markers of neurodegeneration and hippocampal neurogenesis using immunohistochemistry in the aged and neurodegenerative brains of SAMP8 mice, which is an animal model of accelerated senescence that mimics aging-related Alzheimer’s pathology. Neurodegenerative processes observed in the brains of aged SAMP8 mice at 10 months of age include the presence of damaged neurons, disorganization in the layers of the brain cortex, alterations in neural processes and the length of neuronal prolongations and β-amyloid accumulation in the cortex and hippocampus. This neurodegeneration may be associated with neurogenic responses in the hippocampal dentate gyrus of these mice, since we observed a neurogenic niche of neural stem and progenitor/precursors cells in the hippocampus of SAMP8 mice. However, hippocampal neurogenesis seems to be compromised due to alterations in the cell survival, migration and/or neuronal maturation of neural precursor cells due to the neurodegeneration levels in these mice. Chronic treatment with melatonin for 9 months decreased these neurodegenerative processes and the neurodegeneration-induced neurogenic response. Noticeably, melatonin also induced recovery in the functionality of adult hippocampal neurogenesis in aged SAMP8 mice.
Residue and Risk Assessment of Fluopyram in Carrot Tissues
Authors: Yang Yiyue , Yang Ming , Zhao Tong , Pan Lingyi , Jia Li , Zheng Lufei
Published: August 2022

This study describes the variation in residue behavior of fluopyram in soil, carrot root, and carrot leaf samples after the application of fluopyram (41.7% suspension, Bayer) by foliar spray or root irrigation at the standard of 250.00 g active ingredient per hectare (a.i./ha) and double-dose treatment (500.00 g a.i./ha). Fluopyram and its metabolite fluopyram-benzamide were extracted and cleaned up using the QuEChERS method and subsequently quantified with LC-QQQ-MS/MS. The LOD and LOQ of the developed method were in the range of 0.05–2.65 ug/kg and 0.16–8.82 ug/kg, respectively. After root irrigation, the final residues detected in edible parts were 0.60 and 1.80 mg/kg, respectively, when 250.00 and 500.00 g a.i./ha were applied, which is much higher than the maximum residue limit in China (0.40 mg/kg). In contrast, after spray application, most of the fluopyram dissipated from the surface of carrot leaves, and the final residues in carrot roots were both only 0.05 mg/kg. Dietary risk assessments revealed a 23–40% risk quotient for the root irrigation method, which was higher than that for the foliar spray method (8–14%). This is the first report comparing the residue behavior of fluopyram applied by root irrigation and foliar spray. This study demonstrates the difference in risk associated with the two application methods and can serve as a reference for the safe application of fluopyram.
Resveratrol Reestablishes Mitochondrial Quality Control in Myocardial Ischemia/Reperfusion Injury through Sirt1/Sirt3-Mfn2-Parkin-PGC-1α Pathway
Authors: Zheng Minsi , Bai Yinglu , Sun Xiuyu , Fu Rao , Liu Liya , Liu Mengsi , Li Zhiyong , Huang Xiulan
Published: August 2022

Resveratrol is a natural polyphenol found in various plants. It has been widely studied on cardiovascular disorders. It is known that resveratrol can activate Sirtuin proteins and participate in cellular energy metabolism through a Sirtuin-dependent pathway. Here, we hypothesized that resveratrol may protect against myocardial ischemia/reperfusion injury (MIRI) through the target of Sirt1/Sirt3 on mitochondrial dynamics, cardiac autophagy, bioenergetics and oxidative damage in hypoxia/reoxygenation (H/R)-induced neonatal rat cardiomyocytes. We observed that resveratrol could activate the Sirt1/Sirt3-FoxO pathway on myocardial mitochondria in H/R cardiomyocytes. Subsequently, we found that resveratrol repaired the fission–fusion balance, autophagic flux and mitochondrial biosynthesis compared by H/R group. These changes were followed by increased functional mitochondrial number, mitochondrial bioenergetics and a better mitochondrial antioxidant enzyme system. Meanwhile, these effects were antagonized by co-treatment with Selisistat (Ex527), a Sirtuin inhibitor. Together, our findings uncover the potential contribution of resveratrol in reestablishing a mitochondrial quality control network with Parkin, Mfn2 and PGC-1α as the key nodes.
Seed Endophytic Achromobacter sp. F23KW as a Promising Growth Promoter and Biocontrol of Rhizoctonia Root Rot of Fenugreek
Authors: Rashad Ehsan M. , Shaheen Dalia M. , Al-Askar Abdulaziz A. , Ghoneem Khalid M. , Arishi Amr Abker , Hassan El Sayed A. , Saber WesamEldin I. A.
Published: August 2022

Root rot is one of the most significant soil and seed-borne fungal diseases, limiting the cultivation of fenugreek plants. Endophytic bacteria and their natural bioproducts have emerged as growth promoters and disease suppressors in the current era. Despite limited research, seeds are a good funder of endophytic microbiomes, which are transmitted from them to other seedling parts, thereby providing a shield against biotic and abiotic anxiety and promoting the growth at early germination and later stages. The current study evaluated the hypothesis that seed endophytic bacteria and their lytic enzymes, growth promotors, and antifungal molecules can induce growth, and inhibit root rot disease development at the same time. The isolation trial from fenugreek seeds revealed a lytic Achromobacter sp., which produces indole acetic acid, has antifungal compounds (e.g., 2-Butanol, 3,3’-oxybis-), and reduces the growth of Rhizoctonia solani by 43.75%. Under the greenhouse and natural field conditions, bacterial cells and/or supernatant improved the growth, physiology, and yield performance of fenugreek plants, and effectively suppressed the progress of root rot disease; this is the first extensive study that uses a new seed-borne endophytic bacterium as a plant-growth-promoting, and biocontrol tool against the sclerotia-forming; R. solani; the causative of fenugreek root rot.
A Semi-Empirical Model to Estimate Maximum Floc Size in a Turbulent Flow
Authors: Bizi Mohamed
Published: August 2022

The basic model for agglomerate breakage under the effect of hydrodynamic stress (dmax = C.G−γ) is only applicable for low velocity gradients (<500 s−1) and is often used for shear rates that are not representative of the global phenomenon. This paper presents a semi-empirical model that is able to predict mean floc size in a very broad shear range spanning from aggregation to floc fragmentation. Theoretical details and modifications relating to the orthokinetic flocculation output are also provided. Modelling changes in turbidity in relation to the velocity gradient with this model offer a mechanistic approach and provide kinetic agglomeration and breakage index ka and kb. The floc breakage mode is described by the relationship between the floc size and the Kolmogorov microscale. Shear-related floc restructuring is analysed by monitoring the fractal dimension. These models, as well as those used to determine floc porosity, density and volume fraction, are validated by the experimental results obtained from several flocculation operations conducted on ultrafine kaolin in a 4-litre reactor tank compliant with laws of geometric similarity. The velocity gradient range explored was from 60 to 6000 s−1.
Dual Inhibition of HIV-1 and Cathepsin L Proteases by Sarcandra glabra
Authors: Pan Bowen , Li Sumei , Xiao Junwei , Yang Xin , Xie Shouxia , Zhou Ying , Yang Jian , Wei Ying
Published: August 2022

The COVID-19 pandemic continues to impose a huge threat on human health due to rapid viral mutations. Thus, it is imperative to develop more potent antivirals with both prophylactic and treatment functions. In this study, we screened for potential antiviral compounds from Sarcandra glabra (SG) against Cathepsin L and HIV-1 proteases. A FRET assay was applied to investigate the inhibitory effects and UPLC-HRMS was employed to identify and quantify the bioactive components. Furthermore, molecular docking was carried out to get a glimpse of the binding of active compounds to the proteases. Our results showed that the SG extracts (SGW, SG30, SG60, and SG85) inhibited HIV-1 protease with an IC50 of 0.003~0.07 mg/mL and Cathepsin L protease with an IC50 of 0.11~0.26 mg/mL. Fourteen compounds were identified along with eight quantified from the SG extracts. Chlorogenic acid, which presented in high content in the extracts (12.7~15.76 µg/mg), possessed the most potent inhibitory activity against HIV-1 protease (IC50 = 0.026 mg/mL) and Cathepsin L protease (inhibition: 40.8% at 0.01 mg/mL). Thus, SG extracts and the active ingredients could potentially be used to prevent/treat viral infections, including SARS-CoV-2, due to their dual-inhibition functions against viral proteases.
Microbial Biosynthesis of Chrysazin Derivatives in Recombinant Escherichia coli and Their Biological Activities
Authors: Poudel Purna Bahadur , Dhakal Dipesh , Magar Rubin Thapa , Sohng Jae Kyung
Published: August 2022

Anthraquinone and its derivatives show remarkable biological properties such as anticancer, antibacterial, antifungal, and antiviral activities. Hence, anthraquinones derivatives have been of prime interest in drug development. This study developed a recombinant Escherichia coli strain to modify chrysazin to chrysazin-8-O-α-l-rhamnoside (CR) and chrysazin-8-O-α-l-2′-O-methylrhamnoside (CRM) using rhamnosyl transferase and sugar-O-methyltransferase. Biosynthesized CR and CRM were structurally characterized using HPLC, high-resolution mass spectrometry, and various nuclear magnetic resonance analyses. Antimicrobial effects of chrysazin, CR, and CRM against 18 superbugs, including 14 Gram-positive and 4 Gram-negative pathogens, were investigated. CR and CRM exhibited antimicrobial activities against nine pathogens, including methicillin-resistant Staphylococcus aureus (MRSA) and methicillin-sensitive Staphylococcus aureus (MSSA) in a disk diffusion assay at a concentration of 40 µg per disk. There were MIC and MBC values of 7.81–31.25 µg/mL for CR and CRM against methicillin-sensitive S. aureus CCARM 0205 (MSSA) for which the parent chrysazin is more than >1000 µg/mL. Furthermore, the anti-proliferative properties of chrysazin, CR, and CRM were assayed using AGS, Huh7, HL60, and HaCaT cell lines. CR and CRM showed higher antibacterial and anticancer properties than chrysazin.
Sophorolipids—Bio-Based Antimicrobial Formulating Agents for Applications in Food and Health
Authors: Cho Wei Yan , Ng Jeck Fei , Yap Wei Hsum , Goh Bey Hing
Published: August 2022

Sophorolipids are well-known glycolipid biosurfactants, produced mainly by non-pathogenic yeast species such as Candida bombicola with high yield. Its unique environmental compatibility and high biodegradable properties have made them a focus in the present review for their promising applications in diverse areas. This study aims to examine current research trends of sophorolipids and evaluate their applications in food and health. A literature search was conducted using different research databases including PubMed, ScienceDirect, EBSCOhost, and Wiley Online Library to identify studies on the fundamental mechanisms of sophorolipids and their applications in food and health. Studies have shown that various structural forms of sophorolipids exhibit different biological and physicochemical properties. Sophorolipids represent one of the most attractive biosurfactants in the industry due to their antimicrobial action against both Gram-positive and Gram-negative microorganisms for applications in food and health sectors. In this review, we have provided an overview on the fundamental properties of sophorolipids and detailed analysis of their applications in diverse areas such as food, agriculture, pharmaceutical, cosmetic, anticancer, and antimicrobial activities.
Organic Acids Secreted by Lactobacillus spp. Isolated from Urine and Their Antimicrobial Activity against Uropathogenic Proteus mirabilis
Authors: Szczerbiec Dominika , Piechocka Justyna , Głowacki Rafał , Torzewska Agnieszka
Published: August 2022

The natural microbiota of the urinary tract includes Lactobacillus spp., which secrete molecules with antimicrobial properties and have antagonistic activity against many pathogens. This paper focuses on the antibacterial effect of Lactobacillus strains isolated from urine against clinical strains of Proteus mirabilis isolated from kidney stones and from urine with coexisting urolithiasis. The study involved analyzing the main antimicrobial molecules secreted by Lactobacillus. In order to indicate which agent had the strongest antimicrobial effect, the supernatants were made alkaline and treated with catalase and high temperature. Both treated and untreated supernatants were analyzed for their activity. Exposing uropathogens to all untreated cell-free supernatants of Lactobacillus significantly reduced their growth, and it was established that these properties were related to organic acid secretion by these strains. Using LC–MS/MS and spectrophotometric techniques, lactic, citric, and succinic acids were determined qualitatively and quantitatively. The influence of these acids on the P. mirabilis growth and biofilm formation and their influence on membrane permeability were also investigated. The results indicate that organic acids secreted by Lactobacillus strains have a high antibacterial potential and could be used as novel agents in the treatment of urinary tract infections caused by P. mirabilis.
Newly Designed Quinazolinone Derivatives as Novel Tyrosinase Inhibitor: Synthesis, Inhibitory Activity, and Mechanism
Authors: Huang Yaru , Yang Jiefang , Chi Yunyang , Gong Chun , Yang Haikuan , Zeng Fanxin , Gao Fang , Hua Xiaoju , Wang Zongde
Published: August 2022

We synthesized a series of quinazolinone derivates as tyrosinase inhibitors and evaluated their inhibition constants. We synthesized 2-(2,6-dimethylhepta-1,5-dien-1-yl)quinazolin-4(3H)-one (Q1) from the natural citral. The concentration, which led to 50% activity loss of Q1, was 103 ± 2 μM (IC50 = 103 ± 2 μM). Furthermore, we considered Q1 to be a mixed-type and reversible tyrosinase inhibitor, and determined the KI and KIS inhibition constants to be 117.07 μM and 423.63 μM, respectively. Our fluorescence experiment revealed that Q1 could interact with the substrates of tyrosine and L-DOPA in addition to tyrosinase. Molecular docking studies showed that the binding of Q1 to tyrosinase was driven by hydrogen bonding and hydrophobicity. Briefly, the current study confirmed a new tyrosinase inhibitor, which is expected to be developed into a novel pigmentation drug.
Synthesis and Characterization of Phosphinecarboxamide and Phosphinecarbothioamide, and Their Complexation with Palladium(II) Complex
Authors: Itazaki Masumi , Okabayashi Kento , Matsutani Takanari , Nochida Tomoya , Moriuchi Toshiyuki , Nakazawa Hiroshi
Published: August 2022

Reactions of isocyanates/isothiocyanates with primary and secondary phosphines without solvent at room temperature afforded phosphinecarboxamide/phosphinecarbothioamide, respectively, in excellent yields. Furthermore, palladium complex Pd(COD)Cl2 was allowed to react with Ph2PC(O)NHPh (1a) to afford [Pd{Ph2PC(O)NHPh-κP}2Cl2] (3). On the other hand, the reaction of Pd(COD)Cl2 with 1 eq. of Ph2PC(S)NHPh (2a) afforded [PdCl2{Ph2PC(S)NHPh-κP,S}] (4). In the case of a 1:2 molar ratio, [PdCl{Ph2PC(S)NHPh-κP,S}{Ph2PC(S)NHPh-κP}]Cl (5) was formed. The newly obtained compounds were fully characterized using multielement NMR measurements and elemental analyses. In addition, the molecular structures of Ph2PC(O)NH(CH2)2Cl (1j), Ph2PC(S)NHPh(4-Cl) (2c), and 3–5 were determined using single-crystal X-ray diffraction.
First-Principles Study on the Nanofriction Properties of Diamane: The Thinnest Diamond Film
Authors: Wang Jianjun , Li Lin , Wang Jiudong , Yang Wentao , Guo Peng , Li Meng , Liu Dandan , Zeng Haoxian , Zhao Bin
Published: August 2022

Diamane, the thinnest sp3-hybridized diamond film, has attracted great interest due to its excellent mechanical, electronic, and thermal properties inherited from both graphene and diamond. In this study, the friction properties of surface hydrogenated and fluorinated diamane (H- and F-diamane) are investigated with dispersion-corrected density functional theory (DFT) calculations for the first time. Our calculations show that the F-diamane exhibits approximately equal friction to graphene, despite the presence of morphological corrugation induced by sp3 hybridization. Comparative studies have found that the coefficient of friction of H-diamane is about twice that of F-diamane, although they have the same surface geometric folds. These results are attributed to the packed charge surface of F-diamane, which can not only effectively shield carbon interactions from two contacting films, but also provide strong electron–electron repulsive interaction, resulting in a large interlayer distance and a small wrinkle of potential energy at the interface. The interesting results obtained in this study have enriched our understanding of the tribological properties of diamane, and are the tribological basis for the design and application of diamane in nanodevices.