bluuebunny/crossref_metadata_2025 huggingface dataset:
Anti-Candida albicans Activity of Ononin and Other Secondary Metabolites from Platonia Insignis MART
Authors: Silva Anderson França da , Farias Josivan Regis , Franco Danielle Cristine Gomes , Galiza Andrea Araruna , Motta Elizangela Pestana , Oliveira Aluísio da Silva , Vasconcelos Cleydlenne Costa , Cartágenes Maria do Socorro de Sousa , Rocha Claudia Quintino da , Silva Mayara Cristina Pinto da , Lopes Alberto Jorge Oliveira , Nascimento Flavia Raquel Fernandes do , Monteiro Cristina Andrade , Guerra Rosane Nassar Meireles
Published: October 2022

Candida albicans is a human pathogen that is part of the healthy microbiome. However, it is often associated with opportunistic fungal infections. The treatment of these infections is challenging because prolonged exposure to antifungal drugs can culminate in fungal resistance during therapy, and there is a limited number of available drugs. Therefore, this study investigated the antifungal activity of ononin by in silico and in vitro assays, and in Tenebrio molitor as an alternative in vivo model of infection caused by C. albicans. Ononin is an isoflavone glycoside derived from formononetin that has various biological activities. According in silico evaluation, ononin showed the best electron affinity in molecular docking with CaCYP51, with a binding free energy of −10.89 kcal/mol, superior to that of the antifungal drugs fluconazole and posaconazole. The ononin + CaCYP51 complex formed hydrogen bonds with Tyr132, Ser378, Phe380, and Met508, as well as hydrophobic connections with Tyr118, Leu121, Phe126, Leu131, Ile304, and Leu309, and interactions with the heme group. Ononin exerted anti-Candida albicans activity, with MIC between 3.9 and 7.8 µg/mL, and inhibited young and mature biofilms, with a reduction in cell density and metabolic activity of 50 to 80%. The compound was not cytotoxic to sheep red blood cells at concentrations up to 1000 µg/mL. Larvae of the mealworm T. molitor were used as an alternative in vivo model of C. albicans infection. Ononin was able to prolong larval survival at concentrations of 0.5, 1, and 5 mg/kg, and was not toxic up to a concentration of 20 mg/kg. Moreover, ononin reduced the fungal charge in treated animals. In conclusion, our results suggest that ononin has anti-Candida albicans activity and is a potential candidate for the development of new therapeutic alternatives.
Adaptive Feature Extraction for Blood Vessel Segmentation and Contrast Recalculation in Laser Speckle Contrast Imaging
Authors: Morales-Vargas Eduardo , Padilla-Martinez Juan Pablo , Peregrina-Barreto Hayde , Garcia-Suastegui Wendy Argelia , Ramirez-San-Juan Julio Cesar
Published: October 2022

Microvasculature analysis in biomedical images is essential in the medical area to evaluate diseases by extracting properties of blood vessels, such as relative blood flow or morphological measurements such as diameter. Given the advantages of Laser Speckle Contrast Imaging (LSCI), several studies have aimed to reduce inherent noise to distinguish between tissue and blood vessels at higher depths. These studies have shown that computing Contrast Images (CIs) with Analysis Windows (AWs) larger than standard sizes obtains better statistical estimators. The main issue is that larger samples combine pixels of microvasculature with tissue regions, reducing the spatial resolution of the CI. This work proposes using adaptive AWs of variable size and shape to calculate the features required to train a segmentation model that discriminates between blood vessels and tissue in LSCI. The obtained results show that it is possible to improve segmentation rates of blood vessels up to 45% in high depths (≈900 μm) by extracting features adaptively. The main contribution of this work is the experimentation with LSCI images under different depths and exposure times through adaptive processing methods, furthering the understanding the performance of the different approaches under these conditions. Results also suggest that it is possible to train a segmentation model to discriminate between pixels belonging to blood vessels and those belonging to tissue. Therefore, an adaptive feature extraction method may improve the quality of the features and thus increase the classification rates of blood vessels in LSCI.
Strategy for Fast Decision on Material System Suitability for Continuous Crystallization Inside a Slug Flow Crystallizer
Authors: Kufner Anne Cathrine , Krummnow Adrian , Danzer Andreas , Wohlgemuth Kerstin
Published: October 2022

There is an increasing focus on two-phase flow in micro- or mini-structured apparatuses for various manufacturing and measurement instrumentation applications, including the field of crystallization as a separation technique. The slug flow pattern offers salient features for producing high-quality products, since narrow residence time distribution of liquid and solid phases, intensified mixing and heat exchange, and an enhanced particle suspension are achieved despite laminar flow conditions. Due to its unique features, the slug flow crystallizer (SFC) represents a promising concept for small-scale continuous crystallization achieving high-quality active pharmaceutical ingredients (API). Therefore, a time-efficient strategy is presented in this study to enable crystallization of a desired solid product in the SFC as quickly as possible and without much experimental effort. This strategy includes pre-selection of the solvent/solvent mixture using heuristics, verifying the slug flow stability in the apparatus by considering the static contact angle and dynamic flow behavior, and modeling the temperature-dependent solubility in the supposed material system using perturbed-chain statistical associating fluid theory (PC-SAFT). This strategy was successfully verified for the amino acids l-alanine and l-arginine and the API paracetamol for binary and ternary systems and, thus, represents a general approach for using different material systems in the SFC.
The Effect of Holding Time on Dissimilar Transient Liquid-Phase-Bonded Properties of Super-Ferritic Stainless Steel 446 to Martensitic Stainless Steel 410 Using a Nickel-Based Interlayer
Authors: Hafizi Majid , Kasiri-Asgarani Masoud , Naalchian Mojtaba , Bakhsheshi-Rad Hamid Reza , Berto Filippo
Published: October 2022

The dissimilar joining of martensitic and ferritic stainless steels have been developed that needs corrosion resistance and enhanced mechanical properties. In this study, the transient liquid-phase bonding of martensitic stainless steel 410 and super-ferritic stainless steel 446 was conducted with a nickel-based amorphous interlayer (BNi-2) at constant temperature (1050 °C) and increasing times of 1, 15, 30, 45, and 60 min. For characterization of the TLP-bonded samples, optical microscopy and scanning emission microscopy equipped with energy-dispersive X-ray spectroscopy were used. To investigate the mechanical properties of TLP-bonded samples, the shear strength test method was used. Finally, the X-ray diffraction method was used for microstructural investigation and phase identification. The microstructural study showed that the microstructure of base metals changed: the martensitic structure transited to tempered martensite, including ferrite + cementite colonies, and the delta phase in super-ferritic stainless steel dissolved in the matrix. During the transient liquid-phase bonding, the aggregation of boron due to its diffusion to base metals resulted in the precipitation of a secondary phase, including iron–chromium-rich borides with blocky and needle-like morphologies at the interface of the molten interlayer and base metals. On the other hand, the segregation of boron in the bonding zone resulted from a low solubility limit, and the distribution coefficient has induced some destructive and brittle phases, such as nickel-rich (Ni3B) and chromium-rich boride (CrB/Cr2B). By increasing the time, significant amounts of boron have been diffused to a base metal, and diffusion-induced isothermal solidification has happened, such that the isothermal solidification of the assembly has been completed under the 1050 °C/60 min condition. The distribution of the hardness profile is relatively uniform at the bonding zone after completing isothermal solidification, except the diffusion-affected zone, which has a higher hardness. The shear strength test showed that increasing the holding time was effective in achieving the strength near the base metals such that the maximum shear strength of about 472 MPa was achieved.
Lithium Enrichment by the Carbothermal Reduction of Spodumene Ore and the Preparation of Manganese-Silicon Alloy
Authors: Yang Mingliang , Yan Ke , Ji Rui , Cui Xi , Zhang Wenzheng , Qu Tao
Published: October 2022

To increase the low utilization rate of spodumene ore during lithium extraction, spodumene ore was subjected to carbothermic reduction to enrich lithium and prepare a manganese-silicon alloy. The experimental results showed that during thermal reduction, lithium was volatilized and collected in the condensation zone. The Li2O content in the lithium condensate was 41.72%, which was 10.85 times higher than that of the raw material. The effects of varying reduction temperatures and times on the lithium volatilization rate and direct yield of Mn5Si3 alloy were investigated. The best process conditions were 1873 K for 6 h. Under these conditions, the lithium volatilization rate was 97.65%, and the direct yield of Mn5Si3 was 86.47%.
Effects of Freeze–Thaw Cycling on Dynamic Compressive Strength and Energy Dissipation of Sandstone
Authors: Wu Bangbiao , Yang Ling , Mei Yong , Sun Yunhou , Liu Jinming , Shen Jun
Published: October 2022

In this study, the dynamic compressive strength and dissipated energy of rocks were investigated under hydrostatic pressure after different freeze–thaw cycles (FTCs). A split Hopkinson pressure bar (SHPB) with a lateral confining pressure chamber was used for the dynamic testing of sandstone specimens. The results indicated that under a certain loading rate and hydrostatic pressure, both the dissipative energy and dynamic compression strength of rocks decreased with the increase in the number of FTCs. The hydrostatic pressure significantly increased the dissipated energy and dynamic compression strength of rocks, and the enhancement became more pronounced as the number of FTCs increased. By analyzing the energy and damage characteristics of the specimens, after 40 FTCs, the internal damage of the specimens became critical and desensitized the dissipated energy to the loading rate. Based on the testing results, an empirical function was proposed to describe how the dissipated energy was related to the number of FTCs, hydrostatic pressure, and loading rate. It was demonstrated that the dissipated energy had a negative linear relation with FTC, which was enhanced by confinement. The dissipated energy of the specimen corresponded to the dynamic compression strength according to a quadratic function.
The Depositional Mechanism of Hydrothermal Chert Nodules in a Lacustrine Environment: A Case Study in the Middle Permian Lucaogou Formation, Junggar Basin, Northwest China
Authors: Zhou Jiaquan , Yang Hailin , Liu Hanlin , Jiao Yue
Published: October 2022

Although chert deposits are limited in geological distribution, their geological and geochemical characteristics can provide important information to reconstruct paleoenvironmental and diagenetic processes. For the Permian period, cherts are utilized to trace global silicon cycles and hydrothermal activities in relation to the Permian Chert Event. In Northwest China, Permian chert nodules have recently been discovered in both the southeastern and northwestern margins of the Junggar Basin. We conducted an analysis of the mineralogy, petrology and geochemistry of chert nodules of the Lucaogou Formation in the southeastern margin of the Junggar Basin to identify silicon sources and determine the precipitation mechanism of chert nodules. As evidenced by petrology, the chert nodules were mainly composed of crypto-microcrystalline silica (94.33% on average), with development of a soft-sediment deformation structure, indicating the synsedimentary deposition of silicon. Proven by trace elements, high Eu/Eu* ratios (average 2.14), low total rare earth element content (average 6.03 ppm), low LaN/YbN ratios (average 0.17) and low Y/Ho ratios (average 25.25) in chert nodules supports the hydrothermal source of silicon. The wide distribution of authigenic metal-bearing minerals and the significant positive Eu anomalies observed suggest that the chert depositions in the Lucaogou Formation intermittently received high-temperature (>250 °C) hydrothermal fluids, likely associated with the initiation of the Bogda Rift in the middle Permian. Following rapid cooling down and differential compaction, siliceous sediments dehydrated and deformed, finally forming chert nodules.
Iron Extraction from South African Ilmenite Concentrate Leaching by Hydrochloric Acid (HCl) in the Presence of Reductant (Metallic Fe) and Additive (MgSO4)
Authors: Daba Khetho , Ramakokovhu Munyadziwa Mercy , Mojisola Tajudeen , Shongwe Mxolisi Brendon , Ntholeng Nthabiseng
Published: October 2022

The high content of iron in ilmenite ore poses a great challenge, particularly in the synthesis of titanium-containing products due to high susceptibility of iron (Fe) to corrosion. Direct leaching of ilmenite ore in hydrochloric acid (HCl) encouraging Fe dissolution was investigated. The influence of variable parameters, the use of additives, and the addition of metallic iron powder were studied to establish the optimum leaching parameters. The results showed that ilmenite with the particle size distribution of +150 µm yielded better efficiencies when leaching was performed with an acid concentration of 7.5 M and a solid-to-acid ratio of 1:10 at 90 °C. An agitation speed of 450 rpm yielded a superior Fe extraction of about 92.32% and a 2.40% titanium (Ti) loss. The addition of both metallic Fe and the MgSO4 additive significantly enhanced Fe dissolution and decreased Ti recovery in a leach solution. It was found that leaching under optimum conditions produced a solid residue with 1.37% Fe impurity while 98.63% was extracted. The leached residue was comprised of 91.4% TiO2 rutile phase and contained a high content of the ilmenite FeTiO3 (4.37%) and SiO2 (2.23%) impurities, while Al2O3, MgO, MnO2, CaO, V2O5, MnO2, and Cr2O3 were below 0.13%. The high TiO2 content in the leached residue makes it suitable for use as feed in the production of synthetic rutile. The leaching kinetics of Fe dissolution was found to conform to the shrinking core model, where diffusion through the product layer is rate controlling. The calculated activation energy according to the Arrhenius equation was 19.13 kJ/mol.
Mineral Identification Based on Multi-Label Image Classification
Authors: Wu Baokun , Ji Xiaohui , He Mingyue , Yang Mei , Zhang Zhaochong , Chen Yan , Wang Yuzhu , Zheng Xinqi
Published: October 2022

The identification of minerals is indispensable in geological analysis. Traditional mineral identification methods are highly dependent on professional knowledge and specialized equipment which often consume a lot of labor. To solve this problem, some researchers use machine learning algorithms to quickly identify a single mineral in images. However, in the natural environment, minerals often exist in an associated form, which makes the identification impossible with traditional machine learning algorithms. For the identification of associated minerals, this paper proposes a deep learning model based on the transformer and multi-label image classification. The model uses transformer architecture to model mineral images and outputs the probability of the existence of various minerals in an image. The experiments on 36 common minerals show that the model can achieve a mean average precision of 85.26%. The visualization of the class activation mapping indicates that our model can roughly locate the identified minerals.
Reactive Transport Modeling during Uranium In Situ Leaching (ISL): The Effects of Ore Composition on Mining Recovery
Authors: Kurmanseiit Maksat B. , Tungatarova Madina S. , Kaltayev Aidarkhan , Royer Jean-Jacques
Published: October 2022

Unconsolidated sandstone uranium deposits exploited by the in situ leaching (ISL) method, contain complex tetravalent and hexavalent uranium compounds, mostly as UO2 and UO3 oxides that have different dissolution rates in sulfuric acid solutions. This work investigates a reactive transport model that takes into account the dissolution of both UO2 and UO3 in sulfuric acid solution together with possible interactions with rock minerals during the ISL uranium extraction. Several empirical reaction rate constants were determined during lab experiments on uranium extraction assays, including dissolution rates of tetravalent and hexavalent uranium oxides, and the dissolution rate of rock components by sulfuric acid solution. Effects on the recovery of solution flow rates and ratios between tetravalent and hexavalent uranium compounds are also investigated. The experimental dissolution constants were then used in the proposed reactive transport model to be applied to a real case study in Kazakhstan for comparing the 16 months history matching of an exploitation block consisting of 18 well injectors and 4 producers. The obtained numerical results show good agreement with empirical data gathered during exploitation.
Alkali-Activated Metakaolins: Mineral Chemistry and Quantitative Mineral Composition
Authors: Valášková Marta , Klika Zdeněk , Vlček Jozef , Matějová Lenka , Topinková Michaela , Pálková Helena , Madejová Jana
Published: October 2022

The reaction products resulting from the alkali-activation of metakaolin are impacted by the composition of the initial kaolin, and amount of alkali-activated kaolinite and water. The present study focused on analyzing these parameters on the metakaolins calcined at 800 °C from three kaolins, and the metakaolins’ alkali activation for 2, 3 and 28 days. The first objective was to evaluate the mineral chemistry and quantitative mineral phase composition from the bulk chemical analysis using the chemical quantitative mineral analysis (CQMA) procedure and conduct a comparison of the chemistry of the metakaolins after alkali activation for 28 days according to the elements Al, Si, Na and K, using the leaching test in distilled water. The second task was to search for possible relationships between the quantitative number of phases in alkali-activated metakaolins and compressive strength. The main methods used for the characterization of material were X-ray fluorescence, X-ray diffraction, thermal TG/DTA and infrared spectroscopy. Metakaolins alkali activated for 28 days contained crystalline quartz, muscovite, orthoclase, and unreacted metakaolinite contained zeolite A (Z-A), hydrosodalite (HS) and thermonatrite (TN) in the amorphous/weakly crystalline phase. The compressive strengths (CS) from 6.42 ± 0.33 to 9.97 ± 0.50 MPa are related positively to H2O+ and H2O bound in HS and TN.
Push-Pull Effect of Terpyridine Substituted by Triphenylamine Motive—Impact of Viscosity, Polarity and Protonation on Molecular Optical Properties
Authors: Maroń Anna Maria , Cannelli Oliviero , Socie Etienne Christophe , Lodowski Piotr , Machura Barbara
Published: October 2022

The introduction of an electron-donating triphenylamine motive into a 2,2′,6′,2′′-terpyridine (terpy) moiety, a cornerstone molecular unit in coordination chemistry, opens new ways for a rational design of photophysical properties of organic and inorganic compounds. A push-pull compound, 4′-(4-(di(4-tert-butylphenyl)amine)phenyl)-2,2′,6′,2′′-terpyridine (tBuTPAterpy), was thoroughly investigated with the use of steady-state and time-resolved spectroscopies and Density Functional Theory (DFT) calculations. Our results demonstrate that solvent parameters have an enormous influence on the optical properties of this molecule, acting as knobs for external control of its photophysics. The Intramolecular Charge Transfer (ICT) process introduces a remarkable solvent polarity effect on the emission spectra without affecting the lowest absorption band, as confirmed by DFT simulations, including solvation effects. The calculations ascribe the lowest absorption transitions to two singlet ICT excited states, S1 and S2, with S1 having several orders of magnitude higher oscillator strength than the “dark” S2 state. Temperature and viscosity investigations suggest the existence of two emitting excited states with different structural conformations. The phosphorescence emission band observed at 77 K is assigned to a localized 3terpy state. Finally, protonation studies show that tBuTPAterpy undergoes a reversible process, making it a promising probe of the pH level in the context of acidity determination.
(−)-Adaline from the Adalia Genus of Ladybirds Is a Potent Antagonist of Insect and Specific Mammalian Nicotinic Acetylcholine Receptors
Authors: Richards David P. , Patel Rohit N. , Duce Ian R. , Khambay Bhupinder P. S. , Birkett Michael A. , Pickett John A. , Mellor Ian R.
Published: October 2022

Ladybird beetles (Coleoptera: Coccinellidae) possess strong chemical defences that are secreted in response to stress and are also found on the coating of eggs, which are rich in alkaloids that are responsible for their toxicity to other species. Recent studies have shown that alkaloids from several species of ladybird beetle can target nicotinic acetylcholine receptors (nAChRs) acting as receptor antagonists. Here, we have explored the actions of (−)-adaline, found in the 2-spot (Adalia bipunctata) and 10-spot (Adalia decempunctata) ladybirds, on both mammalian (α1β1γδ, α7, α4β2, α3β4) and insect nAChRs using patch-clamp of TE671 cells and locust brain neurons natively expressing nAChRs, as well as two-electrode voltage clamp of Xenopus laevis oocytes recombinantly expressing nAChRs. All nAChR subtypes were antagonised by (−)-adaline in a time-dependent, voltage-dependent and non-competitive manner with the lowest IC50s at rat α3β4 (0.10 μM) and locust neuron (1.28 μM) nAChRs, at a holding potential of −75 mV. The data imply that (−)-adaline acts as an open channel blocker of nAChRs.
Molecular Simulation of the Effects of Cyclic Organic Compounds on the Stability of Lccbm Hydrates
Authors: Lv Wenbo , Deng Cunbao , Jin Zhixin , Zhang Hao , Wang Yansheng
Published: October 2022

CH4 can be separated from low-concentration coal bed methane (LCCBM) by using the hydrate-based gas separation (HBGS) method. To study the contribution of different cyclic organic compounds to the separation of CH4 in LCCBM, an LCCBM hydrate model was constructed. Based on the Monte Carlo and molecular dynamics theory, we simulated the effect of three cyclic organic compounds—cyclopentane (CP), cyclopentanone (CP-one), and cyclopentanol (CP-ol)—on the stability of the LCCBM hydrate at P = 2 MPa, various temperatures, and discussed the structural stability of the hydrate in depth in terms of final snapshots, radial distribution function, mean square displacement, diffusion coefficient, and potential energy change. The results showed that for the CH4-N2 LCCMM gas mixture, CP showed the best facilitation effect compared to the other two cyclic compounds by maintaining the stability of the LCCBM hydrate well at T = 293 K. The promotion effect of CP-one is between CP and CP-ol, and when the temperature increases to T = 293 K, the oxygen atoms in the water molecule can maintain the essential stability of the hydrate structure, although the orderliness decreases significantly. Moreover, the structure of the hydrate model containing CP-ol is destroyed at T = 293 K, and the eventual escape of CH4 and N2 molecules in solution occurs as bubbles. The research results are important for further exploration of the mechanism of action of cyclic promoter molecules with LCCBM hydrate molecules and promoter preferences.
The Inhibition of α-Glucosidase, α-Amylase and Protein Glycation by Phenolic Extracts of Cotoneaster bullatus, Cotoneaster zabelii, and Cotoneaster integerrimus Leaves and Fruits: Focus on Anti-Hyperglycemic Activity and Kinetic Parameters
Authors: Kicel Agnieszka , Magiera Anna , Skrzywanek Marta , Malczuk Mariola , Olszewska Monika Anna
Published: October 2022

Cotoneaster species have gained significant importance in traditional Asian medicine for their ability to prevent and treat hyperglycemia and diabetes. Therefore, in this study, some aspects of the beneficial health effects of hydromethanolic extracts of C. bullatus, C. zabelii, and C. integerrimus leaves and fruits were evaluated, including their influence on α-glucosidase, α-amylase, and nonenzymatic protein glycation. The activity was investigated in relation to the polyphenolic profile of the extracts determined by UV-spectrophotometric and HPLC-PDA-fingerprint methods. It was revealed that all leaf and fruit extracts are a promising source of biological components (caffeic acid pseudodepsides, proanthocyanidins, and flavonols), and the leaf extracts of C. bullatus and C. zabelii contain the highest levels of polyphenols (316.3 and 337.6 mg/g in total, respectively). The leaf extracts were also the most effective inhibitors of digestive enzymes and nonenzymatic protein glycation. IC50 values of 8.6, 41.8, and 32.6 µg/mL were obtained for the most active leaf extract of C. bullatus (MBL) in the α-glucosidase, α-amylase, and glycation inhibition tests, respectively. In the kinetic study, MBL was displayed as a mixed-type inhibitor of both enzymes. The correlations between the polyphenol profiles and activity parameters (|r| > 0.72, p < 0.05) indicate a significant contribution of proanthocyanidins to the tested activity. These results support the traditional use of Cotoneaster leaves and fruits in diabetes and suggest their hydrophilic extracts be promising in functional applications.
Natural Compounds and Products from an Anti-Aging Perspective
Authors: Bjørklund Geir , Shanaida Mariia , Lysiuk Roman , Butnariu Monica , Peana Massimiliano , Sarac Ioan , Strus Oksana , Smetanina Kateryna , Chirumbolo Salvatore
Published: October 2022

Aging is a very complex process that is accompanied by a degenerative impairment in many of the major functions of the human body over time. This inevitable process is influenced by hereditary factors, lifestyle, and environmental influences such as xenobiotic pollution, infectious agents, UV radiation, diet-borne toxins, and so on. Many external and internal signs and symptoms are related with the aging process and senescence, including skin dryness and wrinkles, atherosclerosis, diabetes, neurodegenerative disorders, cancer, etc. Oxidative stress, a consequence of the imbalance between pro- and antioxidants, is one of the main provoking factors causing aging-related damages and concerns, due to the generation of highly reactive byproducts such as reactive oxygen and nitrogen species during the metabolism, which result in cellular damage and apoptosis. Antioxidants can prevent these processes and extend healthy longevity due to the ability to inhibit the formation of free radicals or interrupt their propagation, thereby lowering the level of oxidative stress. This review focuses on supporting the antioxidant system of the organism by balancing the diet through the consumption of the necessary amount of natural ingredients, including vitamins, minerals, polyunsaturated fatty acids (PUFA), essential amino acids, probiotics, plants’ fibers, nutritional supplements, polyphenols, some phytoextracts, and drinking water.
Optimization of Jinhua Ham Classification Method Based on Volatile Flavor Substances and Determination of Key Odor Biomarkers
Authors: Xu Ying , Shui Mengzhu , Chen Da , Ma Xiaozhong , Feng Tao
Published: October 2022

Jinhua ham is a traditional cured meat food in China. For a long time, its grade has mainly been evaluated by the human nose through the three-sticks method, which is highly subjective and is not conducive to establishing evaluation standards through odor markers. In this paper, we analyzed the well-graded Grade I–III hams provided by Jinzi Ham Co., Ltd. (Jinhua, China). Firstly, we used different extraction fibers, extraction temperatures, and extraction time to determine the optimal conditions for headspace solid-phase microextraction (HS-SPME). Then, the aroma components of Jinhua ham were analyzed by headspace solid-phase microextraction combined with gas chromatography–mass spectrometry (GC–MS), and OAV was calculated to screen the key aroma volatiles of three kinds of Jinhua ham. It was found that a total of 56 components were detected in the three types of ham. Among them, there are 21 kinds of key aroma volatiles. Aldehydes, alcohols, and acids are the three main components of Jinhua ham, and the content of aldehydes gradually decreases from Grade I to Grade III ham. The content of acids gradually increased, and we speculated that the increase in acid content was caused by the proliferation of microorganisms in Grade III ham. The key flavor volatiles in Grade I hams was hexanal and 2-methylbutanal. Grade I hams had a strong meat aroma, pleasant fatty, and roasted aroma without any off-flavors. In Grade II ham, the characteristic volatiles (E,E)-2,4-decadienal and ethyl isovalerate were detected. These two volatiles contribute greatly to the flavor of Grade II ham, which makes the flavor of Grade II ham have a special fruity aroma. They also may be prone to sourness and affect the flavor of the ham. Volatiles with low threshold values, such as pyrazines, furans, and sulfur-containing compounds, were relatively high in Grade III hams. This may also contribute to the poorer flavor quality of Grade III hams. This experiment provided a reliable test method and evaluation basis for the rating of Jinhua ham. These results have positive implications for the establishment of odor markers-based grading criteria.
Evaluation of Human Osteoblasts on NIPS Micro-Patterned PCL Carriers Containing Nanohydroxyapatite and Reduced Graphene Oxide Using PSµM
Authors: Tüzün-Antepli Burcu , Şeker Şükran , Elçin Ayşe Eser , Khang Gilson , Elçin Yaşar Murat
Published: October 2022

The content and surface topology of tissue engineering scaffolds are two important parameters in regulating the cell behavior. In this study, a phase separation micromolding (PSµM) method was implemented to develop micro-groove-imprinted poly(ε-caprolactone) (PCL)–nano hydroxyapatite (nHAp)–reduced graphene oxide (rGO) ternary blend constructs. Physical and chemical characterizations of cell-devoid constructs were performed by FTIR, XRD, TGA, DSC, porosity, swelling, wettability analysis, tensile and compression mechanical tests. The in vitro biological performance of human osteoblasts cultured on micro-patterned blend constructs was evaluated by MTT and alamarBlue viability assays. The findings revealed that nHAp and rGO significantly promote cell viability and proliferation, while the micro-pattern determines the direction of cell migration. Alkaline phosphatase and Ca2+ analyses were carried out to determine the osteogenic properties of cell-laden constructs. This study describes a simple method to generate topologically modified ternary blend PCL/nHAp/rGO constructs using the PSµM method, which contributes to cell proliferation and migration, which is particularly important in regenerative medicine.
In Silico Methods for Identification of Potential Active Sites of Therapeutic Targets
Authors: Liao Jianbo , Wang Qinyu , Wu Fengxu , Huang Zunnan
Published: October 2022

Target identification is an important step in drug discovery, and computer-aided drug target identification methods are attracting more attention compared with traditional drug target identification methods, which are time-consuming and costly. Computer-aided drug target identification methods can greatly reduce the searching scope of experimental targets and associated costs by identifying the diseases-related targets and their binding sites and evaluating the druggability of the predicted active sites for clinical trials. In this review, we introduce the principles of computer-based active site identification methods, including the identification of binding sites and assessment of druggability. We provide some guidelines for selecting methods for the identification of binding sites and assessment of druggability. In addition, we list the databases and tools commonly used with these methods, present examples of individual and combined applications, and compare the methods and tools. Finally, we discuss the challenges and limitations of binding site identification and druggability assessment at the current stage and provide some recommendations and future perspectives.
MnO2-Mediated Oxidative Cyclization of “Formal” Schiff’s Bases: Easy Access to Diverse Naphthofuro-Annulated Triazines
Authors: Fatykhov Ramil F. , Khalymbadzha Igor A. , Sharapov Ainur D. , Potapova Anastasia P. , Mochulskaya Nataliya N. , Tsmokalyuk Anton N. , Ivoilova Alexandra V. , Mozharovskaia Polina N. , Santra Sougata , Chupakhin Oleg N.
Published: October 2022

A different type of MnO2-induced oxidative cyclization of dihydrotriazines has been developed. These dihydrotriazines are considered as a “formal” Schiff’s base. This method provided easy access to naphthofuro-fused triazine via the C-C/C-O oxidative coupling reaction. The reaction sequence comprised the nucleophilic addition of 2-naphthol or phenol to 1,2,4-triazine, followed by oxidative cyclization. The scope and limitations of this novel coupling reaction have been investigated. Further application of the synthesized compound has been demonstrated by synthesizing carbazole-substituted benzofuro-fused triazines. The scalability of the reaction was demonstrated at a 40 mmol load. The mechanistic study strongly suggests that this reaction proceeds through the formation of an O-coordinated manganese complex.
Selected Plant-Derived Polyphenols as Potential Therapeutic Agents for Peripheral Artery Disease: Molecular Mechanisms, Efficacy and Safety
Authors: Froldi Guglielmina , Ragazzi Eugenio
Published: October 2022

Vascular diseases, such as peripheral artery disease (PAD), are associated with diabetes mellitus and a higher risk of cardiovascular disease and even death. Surgical revascularization and pharmacological treatments (mainly antiplatelet, lipid-lowering drugs, and antidiabetic agents) have some effectiveness, but the response and efficacy of therapy are overly dependent on the patient’s conditions. Thus, the demand for new cures exists. In this regard, new studies on natural polyphenols that act on key points involved in the pathogenesis of vascular diseases and, thus, on PAD are of great urgency. The purpose of this review is to take into account the mechanisms that lead to endothelium dysfunction, such as the glycoxidation process and the production of advanced glycation end-products (AGEs) that result in protein misfolding, and to suggest plant-derived polyphenols that could be useful in PAD. Thus, five polyphenols are considered, baicalein, curcumin, mangiferin, quercetin and resveratrol, reviewing the literature in PubMed. The key molecular mechanisms and preclinical and clinical studies of each selected compound are examined. Furthermore, the safety profiles of the polyphenols are outlined, together with the unwanted effects reported in humans, also by searching the WHO database (VigiBase).
Research Progress on Hypoglycemic Mechanisms of Resistant Starch: A Review
Authors: Liu Jiameng , Lu Wei , Liang Yantian , Wang Lili , Jin Nuo , Zhao Huining , Fan Bei , Wang Fengzhong
Published: October 2022

In recent years, the prevalence of diabetes is on the rise, globally. Resistant starch (RS) has been known as a kind of promising dietary fiber for the prevention or treatment of diabetes. Therefore, it has become a hot topic to explore the hypoglycemic mechanisms of RS. In this review, the mechanisms have been summarized, according to the relevant studies in the recent 15 years. In general, the blood glucose could be regulated by RS by regulating the intestinal microbiota disorder, resisting digestion, reducing inflammation, regulating the hypoglycemic related enzymes and some other mechanisms. Although the exact mechanisms of the beneficial effects of RS have not been fully verified, it is indicated that RS can be used as a daily dietary intervention to reduce the risk of diabetes in different ways. In addition, further research on hypoglycemic mechanisms of RS impacted by the RS categories, the different experimental animals and various dietary habits of human subjects, have also been discussed in this review.
Recovery of Terephthalic Acid from Densified Post-consumer Plastic Mix by HTL Process
Authors: Agostini Ilaria , Ciuffi Benedetta , Gallorini Riccardo , Rizzo Andrea Maria , Chiaramonti David , Rosi Luca
Published: October 2022

In this study, we investigate the hydrothermal liquefaction (HTL) of PET separated from a densified postconsumer plastic mix, with the aim of recovering its monomer. This second raw material is made up of 90% polyolefin, while the remaining 10% is made up of PET, traces of metals, paper, and glass. After preliminary separation by density in water, two batch experiments were performed on the sunken fraction (composed mainly of PET) in a stainless steel autoclave at 345 °C for 30 and 20 min. Both trials resulted in similar yields of the three phases. In particular, the solid yield is around 76% by weight. After a purification step, this phase was analyzed by UV–Vis, 1H-NMR, and FTIR spectroscopy and resulted to be constituted by terephthalic acid (TPA), a product of considerable industrial interest. The study proved that the hydrothermal liquefaction process coupled with density separation in water is effective for obtaining TPA from a densified postconsumer plastic mix, which can be used for new PET synthesis.
Heparin–Superparamagnetic Iron Oxide Nanoparticles for Theranostic Applications
Authors: Massironi Nicolò , Colombo Miriam , Cosentino Cesare , Fiandra Luisa , Mauri Michele , Kayal Yasmina , Testa Filippo , Torri Giangiacomo , Urso Elena , Vismara Elena , Vlodavsky Israel
Published: October 2022

In this study, superparamagnetic iron oxide nanoparticles (SPIONs) were engineered with an organic coating composed of low molecular weight heparin (LMWH) and bovine serum albumin (BSA), providing heparin-based nanoparticle systems (LMWH@SPIONs). The purpose was to merge the properties of the heparin skeleton and an inorganic core to build up a targeted theranostic nanosystem, which was eventually enhanced by loading a chemotherapeutic agent. Iron oxide cores were prepared via the co-precipitation of iron salts in an alkaline environment and oleic acid (OA) capping. Dopamine (DA) was covalently linked to BSA and LMWH by amide linkages via carbodiimide coupling. The following ligand exchange reaction between the DA-BSA/DA-LMWH and OA was conducted in a biphasic system composed of water and hexane, affording LMWH@SPIONs stabilized in water by polystyrene sulfonate (PSS). Their size and morphology were investigated via dynamic light scattering (DLS) and transmission electron microscopy (TEM), respectively. The LMWH@SPIONs’ cytotoxicity was tested, showing marginal or no toxicity for samples prepared with PSS at concentrations of 50 µg/mL. Their inhibitory activity on the heparanase enzyme was measured, showing an effective inhibition at concentrations comparable to G4000 (N-desulfo-N-acetyl heparin, a non-anticoagulant and antiheparanase heparin derivative; Roneparstat). The LMWH@SPION encapsulation of paclitaxel (PTX) enhanced the antitumor effect of this chemotherapeutic on breast cancer cells, likely due to an improved internalization of the nanoformulated drug with respect to the free molecule. Lastly, time-domain NMR (TD-NMR) experiments were conducted on LMWH@SPIONs obtaining relaxivity values within the same order of magnitude as currently used commercial contrast agents.
The Amomum tsao-ko Essential Oils Inhibited Inflammation and Apoptosis through p38/JNK MAPK Signaling Pathway and Alleviated Gentamicin-Induced Acute Kidney Injury
Authors: Xu Xiu-Jun , Zhang Mei-Ling , Hou Yan-Min , Zhang Ke , Yao Da-Hong , Li Guo-Yu , Kou Wei-Bing , Wang Hang-Yu , Wang Jin-Hui
Published: October 2022

The clinical application of gentamicin may lead to acute kidney injury (AKI), and the nephrotoxicity of gentamicin is related to the pathological mechanism of several oxidative and inflammatory cytokines. Plant-derived essential oils have good anti-inflammatory and antioxidant properties. This study aimed to clarify the protective effect of Amomum tsao-ko essential oils (AOs) on gentamicin-induced AKI in rats and its possible mechanism. The rat AKI model was induced by intraperitoneal injection of gentamicin. After 14 days of oral AO treatment, the renal function and pathological changes of the kidney tissues were evaluated, and the level of kidney tissue oxidative stress was detected. The content of inflammatory cytokines was measured by ELISA. The expression of ERK1/2, JNK1/2, p38, NF-κB, caspase-3, and Bax/Bcl-2 proteins were estimated by Western blot analysis. The results showed that taking AO reduced the contents of serum urea and creatinine in AKI rats and improve the pathological changes and oxidative stress of the kidney tissue in rats. At the same time, AO reduced inflammation and apoptosis during AKI by regulating the MAPK pathway. The data show that AO has a protective effect on the kidneys and may be a potential drug for treating kidney injury.
Volatile Organic Compound Profiles of Cystoseira corniculata (Turner) Zanardini 1841 and Ericaria amentacea (C.Agardh) Molinari and Guiry 2020 (ex. Cystoseira amentacea (C.Agardh) Bory de Saint-Vincent, 1832)
Authors: Radman Sanja , Jerković Igor
Published: October 2022

The volatile organic compounds (VOCs) of fresh (FrCC) and air-dried (DrCC) Cystoseria corniculata and fresh (FrEA) and air-dried (DrEA) Ericaria amentacea from the Adriatic Sea were investigated by headspace solid-phase microextraction (HS-SPME) and hydrodistillation (HD) and analysed by gas chromatography and mass spectrometry (GC-MS). In HS-FrCC and HS-DrCC, aliphatic compounds were dominant, with decan-5-ol as the most abundant in HS-FrCC, but in HS-DrCC pentadecane dominated. Monoterpenes (β-cyclocitral, β-citral, and β-cyclohomocitral) and sesquiterpenes (cubenol) were abundant in HS-FrCC. Notable differences between fresh and air-dried samples were found for benzene derivatives. Fatty acids and their derivatives were the most abundant in HD-FrCC and HD-DrCC. In HS-FrEA and HS-DrEA, saturated aliphatic compounds as well as unsaturated aliphatic compounds (particularly hexan-1-ol and (Z)-hex-3-en-1-ol) predominantly showed decrements after drying. Pentadecane, heptadecane, pentadecanal, and hexan-1-ol were predominant in HD-FrEA, and their percentage decreased in HD-DrEA. The percentage of monoterpenes decreased after drying, but the percentages of diterpenes and especially sesquiterpenes increased. δ-Selinene was the major terpene and the most abundant in HD-DrEA. A significant increment after drying could be noticed for fatty acids and their derivatives. The great diversity of identified VOCs among these two macroalgae supports their different botanical classifications.
Highly Z-Selective Horner–Wadsworth–Emmons Olefination Using Modified Still–Gennari-Type Reagents
Authors: Janicki Ignacy , Kiełbasiński Piotr
Published: October 2022

In this report, new, easily accessible reagents for highly Z-selective HWE reactions are presented. Alkyl di-(1,1,1,3,3,3-hexafluoroisopropyl)phosphonoacetates, structurally similar to Still–Gennari type reagents, were tested in HWE reactions with a series of various aldehydes. Very good Z-selectivity (up to a 98:2 Z:E ratio) was achieved in most cases along with high yields. Application of the new reagents may be a valuable, practical alternative to the well-established Still–Gennari or Ando Z-selective carbonyl group olefination protocols.
Recent Advances of Silver-Based Coordination Polymers on Antibacterial Applications
Authors: Zhang Wenfeng , Ye Gaomin , Liao Donghui , Chen Xuelin , Lu Chengyu , Nezamzadeh-Ejhieh Alireza , Khan M. Shahnawaz , Liu Jianqiang , Pan Ying , Dai Zhong
Published: October 2022

With the continuous evolution of bacteria and the constant use of traditional antibiotics, the emergence of drug-resistant bacteria and super viruses has attracted worldwide attention. Antimicrobial therapy has become the most popular and important research field at present. Coordination Polymer (CP) and/or metal-organic framework (MOF) platforms have the advantages of a high biocompatibility, biodegradability, and non-toxicity, have a great antibacterial potential and have been widely used in antibacterial treatment. This paper reviewed the mechanism and antibacterial effect of three typical MOFs (pure Ag-MOFs, hybrid Ag-MOFs, and Ag-containing-polymer @MOFs) in silver-based coordination polymers. At the same time, the existing shortcomings and future views are briefly discussed. The study on the antibacterial efficacy and mechanism of Ag-MOFs can provide a better basis for its clinical application and, meanwhile, open up a novel strategy for the preparation of more advanced Ag-contained materials with antibacterial characteristics.
Preparation of a Chitosan/Coal Gasification Slag Composite Membrane and Its Adsorption and Removal of Cr (VI) and RhB in Water
Authors: Peng Deqiang , Zhang Shuyun , Wang Kai , Dong Tingting , Zhang Min , Dong Guohui
Published: October 2022

At present, there are many kinds of pollutants, including dyes and heavy metal ions, in wastewater. It is very important to develop adsorbents that can simultaneously remove heavy metal ions and dyes. In this study, a renewable composite membrane material was synthesized using chitosan and treated coal gasification slag. The Cr (VI) maximum adsorption capacity of the composite membrane was 50.0 mg/L, which was 4.3~8.8% higher than that of the chitosan membrane. For the adsorption of RhB, the removal rate of the chitosan membrane was only approximately 5.0%, but this value could be improved to 95.3% by introducing coal gasification slag. The specific surface area of the chitosan membrane could also be increased 16.2 times by the introduction of coal gasification slag. This is because coal gasification slag could open the nanopores of the chitosan membrane (from 80 μm to 110 μm). Based on the adsorption kinetics and adsorption mechanism analysis, it was found that the adsorption of Cr (VI) occurred mainly through the formation of coordination bonds with the amino groups on the molecular chains of chitosan. Meanwhile, RhB adsorption occurred through the formation of hydrogen bonds with the surface of coal gasification slag. Additionally, coal gasification slag can improve the mechanical properties of the chitosan membrane by 2.2 times, which may facilitate the practical application of the composite membrane. This study provides new insight into the adsorbent design and the resource utilization of coal gasification slag.
Anthocyanin Content of Crackers and Bread Made with Purple and Blue Wheat Varieties
Authors: Francavilla Alyssa , Joye Iris J.
Published: October 2022

Purple and blue wheats contain anthocyanins in the outer layers of the wheat kernel, and therefore purple and blue wholemeals can be a source of anthocyanins when developing processed cereal products. However, cereal processing is anticipated to cause significant anthocyanin losses. In this study, the anthocyanin content of crackers and bread made from one purple and three blue wholemeals was measured during processing and after baking. LC-MS/MS was used to confirm the presence of anthocyanins, and to tentatively identify them. Mixing and baking steps significantly decreased the anthocyanin content, whereas resting and fermentation steps did not. Purple and blue wholemeal samples reacted differently, indicating that the starting anthocyanin content, localization and composition may have some impact on anthocyanin retention. Additionally, dough systems with decreased pH were more protective of anthocyanins during intermediate processing steps, as were high-temperature, short-time baking procedures. This research provides insights into the processing steps that cause significant anthocyanin losses, and proposes some modifications to formulation and processing conditions which can further reduce losses.