bluuebunny/crossref_metadata_2025 huggingface dataset:
Neogrisphenol A, a Potential Ovarian Cancer Inhibitor from a New Record Fungus Neohelicosporium griseum
Authors: Zhang Li-Juan , Yang Ming-Fei , Ma Jian , Xiao Xing-Juan , Ma Xiao-Yan , Zheng De-Ge , Han Mei-Yan , Xia Ming-Lei , Jayawardena Ruvishika S. , Mapook Ausana , Xiao Yuan-Pin , Kang Ji-Chuan , Lu Yong-Zhong
Published: March 2023

From the rice fermentation product of a new record fungus, Neohelicosporium griseum, two new polyketides, neogrisphenol A (1) and neogrisphenol B (2), one new isochroman-1-one, (S)-6-hydroxy-7-methoxy-3,5-dimethylisochroman-1-one (3), and four known compounds (4–7) were isolated. Their structures were determined using 1D- and 2D-NMR, mass spectrometry, and chemical calculations. The C-3~C-2′ polymerization mode between the two α-naphthalenone derivative moieties is uncommon in compounds 1 and 2. Meanwhile, compounds 1–2 and 5 exhibited antibacterial activity against Bacillus subtilis, Clostridium perfringens, Staphylococcus aureus, and Staphylococcus aureus, with MIC values ranging between 16 and 31 µg/mL. In addition, compound 5 showed antifungal activity against Sclerotinia sclerotiorum and Phytophthora nicotianae var. nicotianae, with respective IC50 values of 88.14 ± 2.21 µg/mL and 52.36 ± 1.38 µg/mL. Compound 1 showed significant cytotoxicity against A2780, PC-3, and MBA-MD-231 cell lines with respective IC50 values of 3.20, 10.68, and 16.30 µM, and the cytotoxicity against A2780 cells was even higher than that of cisplatin (CDDP). With an IC50 value of 10.13 µM, compound 2 also exhibited cytotoxicity against A2780. The in vitro results showed that compound 1 inhibited A2780 cell proliferation, induced apoptosis, and arrested the cell cycle at the S-phase in a concentration-dependent manner.
Electric and Magnetic Field-Driven Dynamic Structuring for Smart Functional Devices
Authors: Han Koohee
Published: March 2023

The field of soft matter is rapidly growing and pushing the limits of conventional materials science and engineering. Soft matter refers to materials that are easily deformed by thermal fluctuations and external forces, allowing for better adaptation and interaction with the environment. This has opened up opportunities for applications such as stretchable electronics, soft robotics, and microfluidics. In particular, soft matter plays a crucial role in microfluidics, where viscous forces at the microscale pose a challenge to controlling dynamic material behavior and operating functional devices. Field-driven active colloidal systems are a promising model system for building smart functional devices, where dispersed colloidal particles can be activated and controlled by external fields such as magnetic and electric fields. This review focuses on building smart functional devices from field-driven collective patterns, specifically the dynamic structuring of hierarchically ordered structures. These structures self-organize from colloidal building blocks and exhibit reconfigurable collective patterns that can implement smart functions such as shape shifting and self-healing. The review clarifies the basic mechanisms of field-driven particle dynamic behaviors and how particle–particle interactions determine the collective patterns of dynamic structures. Finally, the review concludes by highlighting representative application areas and future directions.
Recent State and Challenges in Spectroelectrochemistry with Its Applications in Microfluidics
Authors: Li Zhenglong , Chande Charmi , Cheng Yu-Hsuan , Basuray Sagnik
Published: March 2023

This review paper presents the recent developments in spectroelectrochemical (SEC) technologies. The coupling of spectroscopy and electrochemistry enables SEC to do a detailed and comprehensive study of the electron transfer kinetics and vibrational spectroscopic fingerprint of analytes during electrochemical reactions. Though SEC is a promising technique, the usage of SEC techniques is still limited. Therefore, enough publicity for SEC is required, considering the promising potential in the analysis fields. Unlike previously published review papers primarily focused on the relatively frequently used SEC techniques (ultraviolet-visible SEC and surface-enhanced Raman spectroscopy SEC), the two not-frequently used but promising techniques (nuclear magnetic resonance SEC and dark-field microscopy SEC) have also been studied in detail. This review paper not only focuses on the applications of each SEC method but also details their primary working mechanism. In short, this paper summarizes each SEC technique’s working principles, current applications, challenges encountered, and future development directions. In addition, each SEC technique’s applicative research directions are detailed and compared in this review work. Furthermore, integrating SEC techniques into microfluidics is becoming a trend in minimized analysis devices. Therefore, the usage of SEC techniques in microfluidics is discussed.
Effects of Resource Availability and Antibiotic Residues on Intestinal Antibiotic Resistance in Bellamya aeruginosa
Authors: Xiao Yayu , Zhang Peiyu , Zhang Huan , Wang Huan , Min Guo , Wang Hongxia , Wang Yuyu , Xu Jun
Published: March 2023

Widespread and inappropriate use of antibiotics has been shown to increase the spread of antibiotics and antimicrobial resistance genes (ARGs) in aquatic environments and organisms. Antibiotic use for the treatment of human and animal diseases is increasing continuously globally. However, the effects of legal antibiotic concentrations on benthic consumers in freshwater environments remain unclear. In the present study, we tested the growth response of Bellamya aeruginosa to florfenicol (FF) for 84 days under high and low concentrations of sediment organic matter (carbon [C] and nitrogen [N]). We characterized FF and sediment organic matter impact on the bacterial community, ARGs, and metabolic pathways in the intestine using metagenomic sequencing and analysis. The high concentrations of organic matter in the sediment impacted the growth, intestinal bacterial community, intestinal ARGs, and microbiome metabolic pathways of B. aeruginosa. B. aeruginosa growth increased significantly following exposure to high organic matter content sediment. Proteobacteria, at the phylum level, and Aeromonas at the genus level, were enriched in the intestines. In particular, fragments of four opportunistic pathogens enriched in the intestine of high organic matter content sediment groups, Aeromonas hydrophila, Aeromonas caviae, Aeromonas veronii, and Aeromonas salmonicida, carried 14 ARGs. The metabolic pathways of the B. aeruginosa intestine microbiome were activated and showed a significant positive correlation with sediment organic matter concentrations. In addition, genetic information processing and metabolic functions may be inhibited by the combined exposure to sediment C, N, and FF. The findings of the present study suggest that antibiotic resistance dissemination from benthic animals to the upper trophic levels in freshwater lakes should be studied further.
Rheological and Strength Properties of Steel-Slag Cemented Paste Backfill: Link to Gypsum Type and Dosage
Authors: Wu Fan , Xiao Bolin , Yang Faguang
Published: March 2023

This paper aims to study the effects of gypsum type and dosage on the rheological and strength properties of steel-slag cemented paste backfill (SSB-CPB) using fluorogypsum (FG), phosphogypsum (PG), and desulfurization gypsum (DG). Experimental results indicate that the yield stress and the viscosity of fresh SSB-CPB are the smallest when using FG, followed by PG, and the highest when using DG. The strength of hardened SSB-CPB is the lowest when using PG, regardless of curing time, and is the highest when using DG after 3 and 7 days of curing or FG after 14 and 28 days of curing. With the increase of DG dosage, yield stress and viscosity of fresh CPB increase, while the strength of hardened CPB first increases and then decreases. For the rheological properties, the zeta potential changes the yield stress of fresh SSB-CPB, while the internal particle size and pH affect its viscosity. For the strength property, regardless of the effect of gypsum type or dosage, the changes in the results of microscopic experiments for hardened paste and SSB-CPB are critical indicators that the strength of SSB-CPB varies. When steel slag dosage is 35%, the best gypsum dosage is 24% and gypsum type is DG in the SSB for backfill. The findings of this study contribute to an enhanced understanding of the backfill binder material, which has beneficials of lower greenhouse gas emission, avoidance of natural raw materials excavation, saving environmental taxes, and reducing backfill costs.
The Dynamics of Transformation of Lithospheric Mantle Rocks Beneath the Siberian Craton
Authors: Perepechko Yury , Sharapov Victor , Tomilenko Anatoly , Chudnenko Konstantin , Sorokin Konstantin , Ashchepkov Igor
Published: March 2023

The problem of heat–mass transfer in the permeable areas above the asthenosphere zones was numerically studied based on an examination of the inclusion content in the minerals (olivine and clinopyroxenes) of igneous and metamorphic rocks of the lithospheric mantle and the Earth’s crust; evaluations of thermodynamic conditions of the inclusion formation; and experimental modeling of the influence of hot reduced gases on rocks in the mantle beneath the Siberian craton. The flow of fluids of a certain composition from the upper-mantle magma chambers leads to the formation of zonal metasomatic columns in the ultrabasic mantle lithosphere in the permeable zones of deep faults (starting from the lithosphere base at 6–7 GPa). When petrogenic components enter from the magma pocket, depleted ultrabasic lithospheric mantle rocks change to substrates, which can be considered as the deep counterparts of crustal rodingites. Other fluid compositions result in strong calcination and pronounced salinization of the metasomatized substrates or an increase in the garnet content of the primary ultrabasic matrix. A region of alkaline rocks forms above these areas, which changes to pyroxenes, amphiboles, and biotites. The heat–mass transfer modeling for the two-velocity hydrodynamic model shows that gas–fluid and melt percolation lead to an increase in the thermal front velocity under convective heating and a pressure drop in flow. It is also shown that grospidites are considered to be eclogites, are found in the permeable zones of the lithospheric mantle columns serving as conduits for the melt/fluids and represent the products of the carbonated metasomatic columns. The carbonization caused by proto-kimberlite melts may essentially decrease the diamond grade of kimberlites due to carbon oxidation.
Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors
Authors: Lefi Nizar , Kazachenko Aleksandr S. , Raja Murugesan , Issaoui Noureddine , Kazachenko Anna S.
Published: March 2023

In this paper, both methods (DFT and HF) were used in a theoretical investigation of 3-bromo-2-Hydroxypyridine (3-Br-2HyP) molecules where the molecular structures of the title compound have been optimized. Molecular electrostatic potential (MEP) was computed using the B3LYP/6-311++G(d,p) level of theory. The time-dependent density functional theory (TD-DFT) approach was used to simulate the HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) on the one hand to achieve the frontier orbital gap and on the other hand to calculate the UV–visible spectrum of the compound in gas phase and for different solvents. In addition, electronic localization function and Fukui functions were carried out. Intermolecular interactions were discussed by the topological AIM (atoms in molecules) approach. The thermodynamic functions have been reported with the help of spectroscopic data using statistical methods revealing the correlations between these functions and temperature. To describe the non-covalent interactions, the reduced density gradient (RDG) analysis is performed. To study the biological activity of the compound of the molecule, molecular docking studies were executed on the active sites of BRD2 inhibitors and to explore the hydrogen bond interaction, minimum binding energies with targeted receptors such as PDB ID: 5IBN, 3U5K, 6CD5 were calculated.
Stability of Graphene/Intercalated Oxygen/Ru(0001) as Studied by Thermal Desorption of CO and CO2 Molecules
Authors: Yu Xiaofeng , Raaen Steinar
Published: March 2023

Formation of graphene on Ru(0001) by exposure to ethylene and subsequent annealing has been studied by low-energy electron diffraction, X-ray photoelectron spectroscopy, and ultraviolet photoelectron spectroscopy. The stability of graphene/intercalated oxygen/Ru(0001) has been investigated by temperature programmed desorption spectroscopy. Desorption of CO and CO2 was observed upon heating the samples to temperatures above 700 K. It was found that the graphene layer was partly intact after the desorption run and that the intercalated oxygen was removed. It was concluded that the oxygen-intercalated graphene layer was stable up to temperatures of about 700 K.
Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri
Authors: Akman Feride , Demirpolat Azize , Kazachenko Aleksandr S. , Kazachenko Anna S. , Issaoui Noureddine , Al-Dossary Omar
Published: March 2023

Essential oils are volatile oil-like liquids with a characteristic strong smell and taste. They are formed in plants and are then extracted. Essential oils have extremely strong physiological and pharmacological properties, which are used in the medicine, cosmetics, and food industries. In this study, the molecules caryophyllene oxide, β-pinene, 1,8-cineol, α-cubebene, and β-caryophyllene, which are the molecules with the highest contents in the essential oil of the plant mentioned in the title, were selected and theoretical calculations describing their interactions with water were performed. Because oil–water mixtures are very important in biology and industry and are ubiquitous in nature, quantum chemical calculations for binary mixtures of water with caryophyllene oxide, β-pinene, 1,8-cineol, α-cubebene, and β-caryophyllene were performed using the density functional theory (DFT)/B3LYP method with a basis of 6–31 G (d, p). Molecular structures, HOMO–LUMO energies, electronic properties, reactivity (ELF, LOL, and Fukui), and NCI-RDG and molecular electrostatic potential (MEP) on surfaces of the main components of Phlomis bruguieri Desf. essential oil were calculated and described.
Chemical Constituents of Thesium chinense Turcz and Their In Vitro Antioxidant, Anti-Inflammatory and Cytotoxic Activities
Authors: Liu Zhen-Zhen , Ma Jun-Cheng , Deng Peng , Ren Fu-Cai , Li Ning
Published: March 2023

Three novel compounds (1–3) along with twenty-six known compounds, two known steroids (4–5) and twenty-four known phenylpropanoids (6–29) were isolated from the whole plant of Thesium chinense Turcz. The structures of the three new compounds were elucidated on the basis of ESI-MS, HR-ESIMS, 1D and 2D NMR, IR, UV spectroscopic data. The absolute stereochemistry of compound 1 was determined by the Gauge-Including Atomic Orbitals (GIAO) method. The in vitro antioxidant, anti-inflammatory and cytotoxic activities of the isolated compounds were evaluated by DPPH radical-scavenging assay, LPS-activated RAW 264.7 cells model and CCK-8 kit, respectively. Compound 11 showed high antioxidant activity with an SC50 value of 16.2 ± 1.6 μM. Compound 21 showed considerable anti-inflammatory activity with an IC50 value of 28.6 ± 3.0 μM. Compounds 4 and 5 displayed potent cytotoxic activity against human NCI-H292, SiHa, A549, and MKN45 cell lines, with the compound 4 having IC50 values of 17.4 ± 2.4, 22.2 ± 1.1, 9.7 ± 0.9, 9.5 ±0.7 μM, and the compound 5 having all IC50 values less than 0.1 μM in vitro.
Preparation and Characterization of Polyethersulfone-Ultrafiltration Membrane Blended with Terbium-Doped Cerium Magnesium Aluminate: Analysis of Fouling Behavior
Authors: Aouled Gouled , Raza Saleem , Ghasali Ehsan , Hayat Asif , Orooji Yasin
Published: March 2023

In this study, various techniques, including X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectrometry (EDS) mapping, X-ray photoelectron spectroscopy (XPS), and water-contact-angle goniometry (WCAG), were used to characterize the crystalline structure and morphological properties of terbium-doped cerium magnesium aluminate (Ce0.67Tb0.33MgAl11O19 or CMAT) in powder form. The results demonstrated that CMAT was successfully synthesized with a particle size of less than 5 µm and a fully evident distribution of elements, as revealed by the SEM images. This was further confirmed by the XRD and HRTEM images. XPS analysis confirmed the presence of all necessary components in CMAT. Additionally, WCAG results showed that the contact angle of CMAT was more hydrophilic with a value of 8.4°. To evaluate its performance, CMAT particles were dispersed in a Polyethersulfone (PES) solution and used to modify a PES ultrafiltration membrane through a phase-inversion method. The resulting membranes were characterized by SEM, atomic force microscopy (AFM), thermogravimetric analysis (TGA), WCAG, and permeability performance and fouling experiments. The addition of CMAT to the PES membranes did not have a significant effect on the structure of the SEM images of the top layer and cross-section of surface properties. However, increasing the concentration of CMAT improved the membrane surface roughness in AFM, and the modified membranes had the ability to resist fouling. The addition of CMAT did not lead to significant energy loss, indicating that the heat flux loss observed can indeed be explained by the amount of C-OH on the PES membrane’s surface. The contact angle of the membranes became more hydrophilic with increasing concentration of CMAT from PES G0 to PES G7. The PES origin membrane showed a higher permeation than the membranes mixed with CMAT, and the modified membranes with CMAT displayed significant fouling resistance.
Biodegradable Nanofibrillated Cellulose/Poly-(butylene adipate-co-terephthalate) Composite Film with Enhanced Barrier Properties for Food Packaging
Authors: Zhou Xiangyang , Yin Guoqiang , Huang Yunchao , Li Yuan , Xie Dong
Published: March 2023

Biodegradable composites consisting of Poly-(butylene adipate-co-terephthalate) (PBAT), thermoplastic starch, hydrophobically modified nanofibrillated cellulose (HMNC), and green surfactant (sucrose fatty acid ester) were prepared via the melt-mixing and film-blowing process (PBAT-HMNC). The composites were characterized using the Fourier transform infrared spectroscope (FT-IR), scanning electron microscope (SEM), and thermogravimetric analyzer (TGA). The mechanical and barrier properties were systematically studied. The results indicated that PBAT-HMNC composites exhibited excellent mechanical and barrier properties. The tensile strength reached the maximum value (over 13 MPa) when the HMNC content was 0.6% and the thermal decomposition temperature decreased by 1 to 2 °C. The lowest values of the water vapor transmission rate (WVTR) and the oxygen transmission rate (OTR) were obtained from the composite with 0.6 wt% HMNC, prepared via the film-bowing process with the values of 389 g/(m2·day) and 782 cc/(m2·day), which decreased by 51.3% and 42.1%, respectively. The Agaricus mushrooms still had a commodity value after 11 days of preservation using the film with 0.6 wt% HMNC. PBAT-HMNC composites have been proven to be promising nanocomposite materials for packaging.
Composition of the Cytochrome c Complex with Cardiolipin by Thermal Lens Spectrometry
Authors: Proskurnin Mikhail A. , Proskurnina Elena V. , Galimova Viktoriya R. , Alekseev Andrei V. , Mikheev Ivan V. , Vladimirov Yuri A.
Published: March 2023

Thermal lens spectrometry along with spectrophotometric titration were used to assess the composition of the complex of oxidized cytochrome c (ferricytochrome c) with 1,1′,2,2′-tetraoleyl cardiolipin, which plays a key role in the initiation of apoptosis. Spectrophotometric titration was carried out for micromolar concentrations at which the complex is mainly insoluble, to assess the residual concentration in the solution and to estimate the solubility of the complex. Thermal lens spectrometry was used as a method of molecular absorption spectroscopy, which has two advantages over conventional optical transmission spectroscopy: the higher sensitivity of absorbance measurements and the possibility of studying the light absorption by chromophores and heat transfer in complex systems, such as living cells or tissues. Thermal lens measurements were carried out at nanomolar concentrations, where the complex is mainly in solution, i.e., under the conditions of its direct measurements. From the thermal lens measurements, the ratios of cytochrome c and cardiolipin in the complex were 50 at pH 7.4; 30 at pH 6.8; and 10 at pH 5.5, which fit well to the spectrophotometric data. The molecular solubility of the complex at pH 6.8–7.4 was estimated as 30 µmol/L.
Ionic Organic Solid 1,3-Bis(sulfomethyl)imidazoliumate as an Effective Metal-Free Catalyst for Sustainable Organic Syntheses
Authors: Martos Mario , Guapacha Angélica M. , Pastor Isidro M.
Published: March 2023

The 1,3-bis(sulfomethyl)imidazole (bsmim) was effectively prepared by a multicomponent reaction, employing aminomethanesulfonic acid, glyoxal, and formaldehyde. The catalytic activity of bsmim was tested in the synthesis of quinoline derivatives, by means of the Friedländer reaction, and in the allylic substitution of alcohols with nitrogen-containing heterocycles. The performance of sulfo-imidazole derivative (bsmim) resulted in higher comparison with the carboxyimidazole analogs (bcmim and bcmimCl), under the same reaction conditions. This type of ionic organic solid allows the promotion of reactions in the absence of solvent and mild reaction conditions, which improves the sustainability of organic synthetic processes.
Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study
Authors: Suenaga Shunya , Takano Yu , Saito Toru
Published: March 2023

Soil bacteria can produce urease, which catalyzes the hydrolysis of urea to ammonia (NH3) and carbamate. A variety of urease inhibitors have been proposed to reduce NH3 volatilization by interfering with the urease activity. We report a quantum mechanics/molecular mechanics molecular dynamics (QM/MM MD) study on the mechanism employed for the inhibition of urease by three representative competitive inhibitors; namely, acetohydroxamic acid (AHA), hydroxyurea (HU), and N-(n-butyl)phosphorictriamide (NBPTO). The possible connections between the structural and thermodynamical properties and the experimentally observed inhibition efficiency were evaluated and characterized. We demonstrate that the binding affinity decreases in the order NBPTO >> AHA > HU in terms of the computed activation and reaction free energies. This trend also indicates that NBPTO shows the highest inhibitory activity and the lowest IC50 value of 2.1 nM, followed by AHA (42 μM) and HU (100 μM). It was also found that the X=O moiety (X = carbon or phosphorous) plays a crucial role in the inhibitor binding process. These findings not only elucidate why the potent urease inhibitors are effective but also have implications for the design of new inhibitors.
Hydrophobically Associating Polyacrylamide “Water-in-Water” Emulsion Prepared by Aqueous Dispersion Polymerization: Synthesis, Characterization and Rheological Behavior
Authors: Lv Yongli , Zhang Sheng , Zhang Yunshan , Yin Hongyao , Feng Yujun
Published: March 2023

The hydrophobically associating polyacrylamide (HAPAM) is an important kind of water-soluble polymer, which is widely used as a rheology modifier in many fields. However, HAPAM products prepared in a traditional method show disadvantages including poor water solubility and the need for hydrocarbon solvents and appropriate surfactants, which lead to environmental pollution and increased costs. To solve these problems, we reported a novel kind of HAPAM “water-in-water” (w/w) emulsion and its solution properties. In this work, a series of cationic hydrophobic monomers with different alkyl chain lengths were synthesized and characterized. Then, HAPAM w/w emulsions were prepared by the aqueous dispersion polymerization of acrylamide, 2-methylacryloylxyethyl trimethyl ammonium chloride and a hydrophobic monomer. All these emulsions can be stored more than 6 months, showing excellent stability. An optical microscopy observation showed that the particle morphology and the particle size of the HAPAM emulsion were more regular and bigger than the emulsion without the hydrophobic monomer. The solubility tests showed that such HAPAM w/w emulsions have excellent solubility, which took no more than 180 s to dilute and achieve a homogeneous and clear solution. The rheology measurements showed that the HAPAM association increases with a hydrophobe concentration or the length of hydrophobic alkyl chains, resulting in better shear and temperature resistances. The total reduced viscosity was 124.42 mPa·s for cw101, 69.81 mPa·s for cw6-1, 55.38 mPa·s for cw8-0.25, 48.95 mPa·s for cw12-0.25 and 28 mPa·s for cw16-0.25 when the temperature increased from 30 °C to 90 °C. The cw8-2.0 that contains a 2 mol% hydrophobe monomer has the lowest value at 19.12 mPa·s due to the best association. Based on the excellent stability, solubility and rheological properties, we believe that these HAPAM w/w emulsions could find widespread applications.
Support Vector Machine-Based Global Classification Model of the Toxicity of Organic Compounds to Vibrio fischeri
Authors: Wu Feng , Zhang Xinhua , Fang Zhengjun , Yu Xinliang
Published: March 2023

Vibrio fischeri is widely used as the model species in toxicity and risk assessment. For the first time, a global classification model was proposed in this paper for a two-class problem (Class − 1 with log1/IBC50 ≤ 4.2 and Class + 1 with log1/IBC50 > 4.2, the unit of IBC50: mol/L) by utilizing a large data set of 601 toxicity log1/IBC50 of organic compounds to Vibrio fischeri. Dragon software was used to calculate 4885 molecular descriptors for each compound. Stepwise multiple linear regression (MLR) analysis was used to select the descriptor subset for the models. The ten molecular descriptors used in the classification model reflect the structural information on the Michael-type addition of nucleophiles, molecular branching, molecular size, polarizability, hydrophobic, and so on. Furthermore, these descriptors were interpreted from the point of view of toxicity mechanisms. The optimal support vector machine (SVM) model (C = 253.8 and γ = 0.009) was obtained with the genetic algorithm. The SVM classification model produced a prediction accuracy of 89.1% for the training set (451 log1/IBC50), of 80.0% for the test set (150 log1/IBC50), and of 86.9% for the total data set (601 log1/IBC50), which are higher than that (80.5%, 76%, and 79.4%, respectively) from the binary logistic regression (BLR) model. The global SVM classification model is successful, although it deals with a large data set in relation to the toxicity of organics to Vibrio fischeri.
New Bisabolane-Type Sesquiterpenoids from Curcuma longa and Their Anti-Atherosclerotic Activity
Authors: Guo Yu-Qin , Wu Guang-Xu , Peng Cheng , Fan Yun-Qiu , Li Lei , Liu Fei , Xiong Liang
Published: March 2023

To explore the sesquiterpenoids in Curcuma longa L. and their activity related to anti-atherosclerosis. The chemical compounds of the rhizomes of C. longa were separated and purified by multiple chromatography techniques. Their structures were established by a variety of spectroscopic experiments. The absolute configurations were determined by comparing experimental and calculated NMR chemical shifts and electronic circular dichroism (ECD) spectra. Their anti-inflammatory effects and inhibitory activity against macrophage-derived foam cell formation were evaluated by lipopolysaccharide (LPS) and oxidized low-density lipoprotein (ox-LDL)-injured RAW264.7 macrophages, respectively. This study resulted in the isolation of 10 bisabolane-type sesquiterpenoids (1–10) from C. longa, including two pairs of new epimers (curbisabolanones A–D, 1–4). Compound 4 significantly inhibited LPS-induced nitric oxide (NO), interleukin-1β (IL-1β), interleukin-6 (IL-6), tumor necrosis factor-α (TNF-α), and prostaglandin E2 (PGE2) production in RAW264.7 cells. Furthermore, compound 4 showed inhibitory activity against macrophage-derived foam cell formation, which was represented by markedly reducing ox-LDL-induced intracellular lipid accumulation as well as total cholesterol (TC), free cholesterol (FC), and cholesterol ester (CE) contents in RAW264.7 cells. These findings suggest that bisabolane-type sesquiterpenoids, one of the main types of components in C. longa, have the potential to alleviate the atherosclerosis process by preventing inflammation and inhibiting macrophage foaming.
Effect of Koji on Flavor Compounds and Sensory Characteristics of Rice Shochu
Authors: Yuan Huawei , Tan Li , Zhao Yu , Wang Yuting , Li Jianlong , Liu Guangqian , Zhang Chao , Liu Kunyi , Wang Songtao , Lou Kai
Published: March 2023

Koji is an important starter for rice shochu brewing and influences the rice shochu quality. Consequently, we studied the impacts of koji on the flavor compounds and sensory characteristics of rice shochu using molds Aspergillus kawachii SICC 3.917 (A-K), Aspergillus oryzae SICC 3.79(A-O), Aspergillus Niger CICC 2372 (A-N), Rhizopus oryzae CICC 40260 (R-O), and the traditional starter Qu (control). The effects of koji on the aroma components, free amino acids (FAAs), and overall sensory aspects of rice shochu were studied. These findings indicated that koji significantly affected the rice shochu’s quality. The content of total FAAs in rice shochu A-K (30.586 ± 0.944 mg/L) and A-O (29.919 ± 0.278 mg/L) was higher than others. The content of flavor compounds revealed that the aroma of rice shochu with various koji varied greatly from the smells of alcohols and esters. Shochu A-O had a higher concentration of aroma compounds and it exhibited a strong aroma and harmonious taste compared with the others. This research using taste compounds, FAAs, flavor intensity, and partial least squares regression (PLSR) showed that shochu A-O appeared to possess the best sensory qualities, with elevated concentrations of alcohols and sweet FAAs and lesser concentrations of sour FAAs. Therefore, the A-O mold is promising for the manufacture of rice shochu with excellent flavor and sensory characteristics.
Bioactive Ingredients with Health-Promoting Properties of Strawberry Fruit (Fragaria x ananassa Duchesne)
Authors: Newerli-Guz Joanna , Śmiechowska Maria , Drzewiecka Alicja , Tylingo Robert
Published: March 2023

Strawberries (Fragaria x ananassa Duchesne) belong to the berry group and are characterized primarily by delightful sensory properties. Due to their chemical composition, these fruits are a rich source of bioactive compounds that can modify the metabolic and physiological functions of the body. The aim of this work is to present the current state of research on bioactive ingredients found in these fruits in the context of their health-promoting properties. The paper presents compiled and reviewed data on the content of polyphenolic compounds, organic acids, and vitamins, especially vitamin C, in strawberries. The content of these compounds is influenced by many different factors that are discussed in the paper. It also draws attention to the presence of oxalates and allergenic compounds, which are classified as anti-nutritional compounds of strawberries.
Do Rutin and Quercetin Retain Their Structure and Radical Scavenging Activity after Exposure to Radiation?
Authors: Rosiak Natalia , Cielecka-Piontek Judyta , Skibiński Robert , Lewandowska Kornelia , Bednarski Waldemar , Zalewski Przemysław
Published: March 2023

The influence of ionizing radiation on the physicochemical properties of quercetin and rutin in the solid state was studied. Quercetin and rutin were irradiated with the standard recommended radiation dose (25 kGy) according to EN 522 standard. The samples were irradiated by electron beam radiation. EPR studies indicate the formation of a small number of free radicals due to irradiation. Moreover, some radicals recombined with the mean lifetime of 1200 and 93 h, and a stable radical concentration reached only 0.29 and 0.90 ppm for quercetin and rutin, respectively. The performed spectroscopic study (FT-IR) confirmed the radiostability of the flavonoids tested. Chromatographic tests (HPLC, HPLC-MS) showed that irradiation of quercetin and rutin with a 25 kGy dose did not change the physicochemical properties of the tested compounds. Degradation products were not observed. The antioxidant activities were determined by the 2,2-diphenyl-1-pycrylhydrazyl (DPPH) free radical scavenging activity assay, ABTS Radical Scavenging Assay (ABTS), Ferric Reducing Antioxidant Power Assay (FRAP), Cupric Ion Reducing Antioxidant Capacity Assay (CUPRAC). The conducted research confirmed that exposure to ionizing radiation does not change the chemical structure of tested flavonoids and their antioxidant properties.
Mechanical Stimulation Decreases Auxin and Gibberellic Acid Synthesis but Does Not Affect Auxin Transport in Axillary Buds; It Also Stimulates Peroxidase Activity in Petunia × atkinsiana
Authors: Jędrzejuk Agata , Kuźma Natalia , Orłowski Arkadiusz , Budzyński Robert , Gehl Christian , Serek Margrethe
Published: March 2023

Thigmomorphogenesis (or mechanical stimulation-MS) is a term created by Jaffe and means plant response to natural stimuli such as the blow of the wind, strong rain, or touch, resulting in a decrease in length and an increase of branching as well as an increase in the activity of axillary buds. MS is very well known in plant morphology, but physiological processes controlling plant growth are not well discovered yet. In the current study, we tried to find an answer to the question if MS truly may affect auxin synthesis or transport in the early stage of plant growth, and which physiological factors may be responsible for growth arrest in petunia. According to the results of current research, we noticed that MS affects plant growth but does not block auxin transport from the apical bud. MS arrests IAA and GA3 synthesis in MS-treated plants over the longer term. The main factor responsible for the thickening of cell walls and the same strengthening of vascular tissues and growth arrestment, in this case, is peroxidase (POX) activity, but special attention should be also paid to AGPs as signaling molecules which also are directly involved in growth regulation as well as in cell wall modifications.
Solution of the Drug Resistance Problem of Escherichia coli with Silver Nanoparticles: Efflux Effect and Susceptibility to 31 Antibiotics
Authors: Nefedova Ekaterina , Shkil Nikolay , Shkil Nikolay , Garibo Diana , Luna Vazquez-Gomez Roberto , Pestryakov Alexey , Bogdanchikova Nina
Published: March 2023

The current work is a continuation of our studies focused on the application of nanoparticles of metallic silver (AgNPs) to address the global problem of antibiotic resistance. In vivo, fieldwork was carried out with 200 breeding cows with serous mastitis. Ex vivo analyses showed that after the cow was treated with an antibiotic-containing drug DienomastTM, E. coli sensibility to 31 antibiotics decreased by 27.3%, but after treatment with AgNPs, it increased by 21.2%. This could be explained by the 8.9% increase in the portion of isolates showing an efflux effect after DienomastTM treatment, while treatment with Argovit-CTM resulted in a 16.0% drop. We verified the likeness of these results with our previous ones on S. aureus and Str. dysgalactiae isolates from mastitis cows processed with antibiotic-containing medicines and Argovit-CTM AgNPs. The obtained results contribute to the recent struggle to restore the efficiency of antibiotics and to preserve the wide range of antibiotics on the world market.
Nitrosative and Oxidative Stress, Reduced Antioxidant Capacity, and Fiber Type Switch in Iron-Deficient COPD Patients: Analysis of Muscle and Systemic Compartments
Authors: Pérez-Peiró Maria , Alvarado Miranda Mariela , Martín-Ontiyuelo Clara , Rodríguez-Chiaradía Diego A. , Barreiro Esther
Published: March 2023

We hypothesized that a rise in the levels of oxidative/nitrosative stress markers and a decline in antioxidants might take place in systemic and muscle compartments of chronic obstructive pulmonary disease (COPD) patients with non-anemic iron deficiency. In COPD patients with/without iron depletion (n = 20/group), markers of oxidative/nitrosative stress and antioxidants were determined in blood and vastus lateralis (biopsies, muscle fiber phenotype). Iron metabolism, exercise, and limb muscle strength were assessed in all patients. In iron-deficient COPD compared to non-iron deficient patients, oxidative (lipofuscin) and nitrosative stress levels were greater in muscle and blood compartments and proportions of fast-twitch fibers, whereas levels of mitochondrial superoxide dismutase (SOD) and Trolox equivalent antioxidant capacity (TEAC) decreased. In severe COPD, nitrosative stress and reduced antioxidant capacity were demonstrated in vastus lateralis and systemic compartments of iron-deficient patients. The slow- to fast-twitch muscle fiber switch towards a less resistant phenotype was significantly more prominent in muscles of these patients. Iron deficiency is associated with a specific pattern of nitrosative and oxidative stress and reduced antioxidant capacity in severe COPD irrespective of quadriceps muscle function. In clinical settings, parameters of iron metabolism and content should be routinely quantify given its implications in redox balance and exercise tolerance.
Molecular Survey of Toxoplasma gondii in Wild Mammals of Southern Italy
Authors: Dakroub Hiba , Sgroi Giovanni , D’Alessio Nicola , Russo Danilo , Serra Francesco , Veneziano Vincenzo , Rea Simona , Pucciarelli Alessia , Lucibelli Maria Gabriella , De Carlo Esterina , Fusco Giovanna , Amoroso Maria Grazia
Published: March 2023

Systematic wildlife surveillance is important to aid the prevention of zoonotic infections that jeopardize human health and undermine biodiversity. Toxoplasma gondii is an opportunistic zoonotic protozoan that can infect all endothermic vertebrates, causing severe disease in immunocompromised humans and cases of congenital transmission. Humans can be infected by ingestion of raw meat containing bradyzoites or water contaminated by oocysts. In our study, we assessed the potential circulation of Toxoplasma gondii in wild mammals by performing surveillance in the Campania region (southern Italy) and surveyed its presence from 2020 to 2022 within the framework of the Regional Plans for Wildlife Surveillance. In detail, 211 individuals belonging to five wild mammals (wolf, fox, wild boar, badger, and roe deer) underwent necropsy and the organs were analyzed by real-time PCR for the detection of the parasite. Toxoplasma gondii was found in 21.8% (46/211) of the subjects examined. No statistically significant differences were noticed between the prevalence and the host’s trophic level or age, rejecting the hypotheses that Toxoplasma gondii will have a higher prevalence in top predators and adult individuals, respectively. Our work emphasized the high circulation of Toxoplasma gondii in wildlife and remarked on the critical role of anthropized areas where domestic cats and wildlife may come into contact, urging a systematic surveillance.
First Report of Swinepox in a Wild Boar in Italy: Pathologic and Molecular Findings
Authors: Guardone Lisa , Varello Katia , Listorti Valeria , Peletto Simone , Wolfsgruber Lara , Zoccola Roberto , Montemurro Vittoria , Messana Erika , Bozzetta Elena , Acutis Pierluigi , Masoero Loretta , Razzuoli Elisabetta
Published: March 2023

Swinepox virus (SWPV) is responsible for sporadic acute poxvirus infections in swine worldwide, causing a pathognomonic eruptive proliferative dermatitis. Beside direct and congenital transmission, the pig louse Haematopinus suis acts as a mechanical vector and favors virus infection through skin lesions. Infections are generally described in domestic pigs, while only a few cases have been reported in wild boars, in Austria and Germany. In September 2022, SWPV infection was suspected at post-mortem examination of a wild boar piglet with characteristic lesions in Liguria, Northwest Italy. The piglet was heavily parasitized by swine lice (H. suis). SWPV was then confirmed by histological and molecular analyses. Possible viral co-infections were also investigated (African swine fever virus, classical swine fever virus, parvovirus, circovirus, Aujeszky’s disease virus and hepatitis E virus). This article describes gross and histopathologic features of SWPV infection, differential diagnosis, and potential vector-borne transmission to domestic pigs, presenting a brief review of the literature on the topic. SWPV infection is reported in wild boars in Italy for the first time. The finding of SWPV in a wild boar in an area with a very limited pig population may suggest the existence of a “wildlife cycle” in the area. Further investigations are needed to understand the real risk of transmission of SWPV to domestic pigs as well as the role of other arthropod vectors.
Propolis: A Detailed Insight of Its Anticancer Molecular Mechanisms
Authors: Altabbal Suhib , Athamnah Khawla , Rahma Aaesha , Wali Adil Farooq , Eid Ali H. , Iratni Rabah , Al Dhaheri Yusra
Published: March 2023

Cancer is the second most life-threatening disease and has become a global health and economic problem worldwide. Due to the multifactorial nature of cancer, its pathophysiology is not completely understood so far, which makes it hard to treat. The current therapeutic strategies for cancer lack the efficacy due to the emergence of drug resistance and the toxic side effects associated with the treatment. Therefore, the search for more efficient and less toxic cancer treatment strategies is still at the forefront of current research. Propolis is a mixture of resinous compounds containing beeswax and partially digested exudates from plants leaves and buds. Its chemical composition varies widely depending on the bee species, geographic location, plant species, and weather conditions. Since ancient times, propolis has been used in many conditions and aliments for its healing properties. Propolis has well-known therapeutic actions including antioxidative, antimicrobial, anti-inflammatory, and anticancer properties. In recent years, extensive in vitro and in vivo studies have suggested that propolis possesses properties against several types of cancers. The present review highlights the recent progress made on the molecular targets and signaling pathways involved in the anticancer activities of propolis. Propolis exerts anticancer effects primarily by inhibiting cancer cell proliferation, inducing apoptosis through regulating various signaling pathways and arresting the tumor cell cycle, inducing autophagy, epigenetic modulations, and further inhibiting the invasion and metastasis of tumors. Propolis targets numerous signaling pathways associated with cancer therapy, including pathways mediated by p53, β-catenin, ERK1/2, MAPK, and NF-κB. Possible synergistic actions of a combination therapy of propolis with existing chemotherapies are also discussed in this review. Overall, propolis, by acting on diverse mechanisms simultaneously, can be considered to be a promising, multi-targeting, multi-pathways anticancer agent for the treatment of various types of cancers.
Targeting Inflammation in Non-Small Cell Lung Cancer through Drug Repurposing
Authors: Rajasegaran Thiviyadarshini , How Chee Wun , Saud Anoosha , Ali Azhar , Lim Jonathan Chee Woei
Published: March 2023

Lung cancer is the most common cause of cancer-related deaths. Lung cancers can be classified as small-cell (SCLC) or non-small cell (NSCLC). About 84% of all lung cancers are NSCLC and about 16% are SCLC. For the past few years, there have been a lot of new advances in the management of NSCLC in terms of screening, diagnosis and treatment. Unfortunately, most of the NSCLCs are resistant to current treatments and eventually progress to advanced stages. In this perspective, we discuss some of the drugs that can be repurposed to specifically target the inflammatory pathway of NSCLC utilizing its well-defined inflammatory tumor microenvironment. Continuous inflammatory conditions are responsible to induce DNA damage and enhance cell division rate in lung tissues. There are existing anti-inflammatory drugs which were found suitable for repurposing in non-small cell lung carcinoma (NSCLC) treatment and drug modification for delivery via inhalation. Repurposing anti-inflammatory drugs and their delivery through the airway is a promising strategy to treat NSCLC. In this review, suitable drug candidates that can be repurposed to treat inflammation-mediated NSCLC will be comprehensively discussed together with their administration via inhalation from physico-chemical and nanocarrier perspectives.
Properties of Poly (Lactic-co-Glycolic Acid) and Progress of Poly (Lactic-co-Glycolic Acid)-Based Biodegradable Materials in Biomedical Research
Authors: Lu Yue , Cheng Dongfang , Niu Baohua , Wang Xiuzhi , Wu Xiaxia , Wang Aiping
Published: March 2023

In recent years, biodegradable polymers have gained the attention of many researchers for their promising applications, especially in drug delivery, due to their good biocompatibility and designable degradation time. Poly (lactic-co-glycolic acid) (PLGA) is a biodegradable functional polymer made from the polymerization of lactic acid (LA) and glycolic acid (GA) and is widely used in pharmaceuticals and medical engineering materials because of its biocompatibility, non-toxicity, and good plasticity. The aim of this review is to illustrate the progress of research on PLGA in biomedical applications, as well as its shortcomings, to provide some assistance for its future research development.
Pharmacologic Management of Monogenic and Very Early Onset Inflammatory Bowel Diseases
Authors: Levine Anne E. , Mark Dominique , Smith Laila , Zheng Hengqi B. , Suskind David L.
Published: March 2023

Inflammatory bowel disease (IBD) is treated with a variety of immunomodulating and immunosuppressive therapies; however, for the majority of cases, these therapies are not targeted for specific disease phenotypes. Monogenic IBD with causative genetic defect is the exception and represents a disease cohort where precision therapeutics can be applied. With the advent of rapid genetic sequencing platforms, these monogenic immunodeficiencies that cause inflammatory bowel disease are increasingly being identified. This subpopulation of IBD called very early onset inflammatory bowel disease (VEO-IBD) is defined by an age of onset of less than six years of age. Twenty percent of VEO-IBDs have an identifiable monogenic defect. The culprit genes are often involved in pro-inflammatory immune pathways, which represent potential avenues for targeted pharmacologic treatments. This review will provide an overview of the current state of disease-specific targeted therapies, as well as empiric treatment for undifferentiated causes of VEO-IBD.