bluuebunny/crossref_metadata_2025 huggingface dataset:
Profile Evolution and Cross-Process Collaboration Strategy of Bearing Raceway by Centerless Grinding and Electrochemical Mechanical Machining
Authors: Yan Zhaobin , Fan Shuangjiao , Xu Wenpeng , Zhang Zhixin , Pang Guibing
Published: December 2022

Roundness is one of the most important evaluation indexes of rotary parts. The formation and change of roundness in the machining of parts is essentially the formation and genetic process of profile. Centerless positioning machining is one of the main surface finishing methods of rotary parts. The rounding mechanism of centerless positioning machining determines its unique roundness profile formation and genetic characteristics. How to eliminate the roundness error of centerless positioning machining has become one of the important issues in the research of high-precision rotary part machining. This paper explores the influence of process parameters on the roundness error from the perspective of profile evolution during centerless grinding and electrochemical mechanical machining, with the aim of providing a cross-process collaboration strategy for improving bearing raceway accuracy. Through an experiment of centerless grinding, the influence law and mechanism of process parameters on the profile are discussed. On this basis, electrochemical mechanical machining experiments are designed to explore the variation rules and mechanisms of different profile shapes in the machining process. The cross-process collaboration strategy is studied, and reasonable parameters of centerless grinding and electrochemical mechanical machining are determined. The results show that in the centerless grinding stage, increasing the support plate angle can form a multiple-lobe profile with high frequency within a wide range of process parameters. Electrochemical mechanical machining can effectively smooth the high-frequency profile and appropriately expanding the cathode coverage can improve the roundness error and reduce the requirement of initial accuracy of a multiple-lobe profile workpiece to a certain extent. Therefore, the combined machining technology of “centerless grinding + electrochemical mechanical machining” provides an efficient technical means to realize the precision machining of rotary parts such as bearing raceways.
Drought and Competition Mediate Mycorrhizal Colonization, Growth Rate, and Nutrient Uptake in Three Artemisia Species
Authors: Prado-Tarango David Eduardo , Mata-Gonzalez Ricardo , Hovland Matthew
Published: December 2022

The genus Artemisia includes several keystone shrub species that dominate the North American sagebrush steppe. Their growth, survival, and establishment are negatively affected by exotic invasive grasses such as Taeniatherum caput-medusae. While the outcomes of symbiotic relationships between Artemisia spp. and arbuscular mycorrhizal fungi (AMF) are ambiguous, the benefits of ameliorated nutrient and drought stress may be cryptic and better revealed under competition. We evaluated the effects of a commercial AMF inoculum on ameliorating biotic (competition with T. caput-medusae) and abiotic (drought) stress of Artemisia tridentata ssp. wyomingensis, Artemisia arbuscula, and Artemisia nova when grown in sterile and microbially active field soil. Stress amelioration was measured as an increase in biomass production and nutrient acquisition. Mycorrhizal colonization of roots was lower in Artemisia plants grown in competition, while T. caput-medusae colonization was higher in plants with greater moisture. Both types of stress negatively affected plant biomass. Commercial AMF inoculation did not increase biomass. Colonization from field soil increased average phosphorous concentration under drought for A. tridentata ssp. wyomingensis by 36% and A. nova by 125%. While commercial inoculum and live soil led to AMF colonization of T. caput-medusae, only the commercial inoculum increased average phosphorus uptake by 71%.
microRNAs: Critical Players during Helminth Infections
Authors: Rojas-Pirela Maura , Andrade-Alviárez Diego , Quiñones Wilfredo , Rojas Maria Verónica , Castillo Christian , Liempi Ana , Medina Lisvaneth , Guerrero-Muñoz Jesus , Fernández-Moya Alejandro , Ortega Yessica Andreina , Araneda Sebastián , Maya Juan Diego , Kemmerling Ulrike
Published: December 2022

microRNAs (miRNAs) are a group of small non-coding RNAs that regulate gene expression post-transcriptionally through their interaction with the 3′ untranslated regions (3′ UTR) of target mRNAs, affecting their stability and/or translation. Therefore, miRNAs regulate biological processes such as signal transduction, cell death, autophagy, metabolism, development, cellular proliferation, and differentiation. Dysregulated expression of microRNAs is associated with infectious diseases, where miRNAs modulate important aspects of the parasite–host interaction. Helminths are parasitic worms that cause various neglected tropical diseases affecting millions worldwide. These parasites have sophisticated mechanisms that give them a surprising immunomodulatory capacity favoring parasite persistence and establishment of infection. In this review, we analyze miRNAs in infections caused by helminths, emphasizing their role in immune regulation and its implication in diagnosis, prognosis, and the development of therapeutic strategies.
Inter-Species Redox Coupling by Flavin Reductases and FMN-Dependent Two-Component Monooxygenases Undertaking Nucleophilic Baeyer–Villiger Biooxygenations
Authors: Willetts Andrew
Published: December 2022

Using highly purified enzyme preparations throughout, initial kinetic studies demonstrated that the isoenzymic 2,5- and 3,6-diketocamphane mono-oxygenases from Pseudomonas putida ATCC 17453 and the LuxAB luciferase from Vibrio fischeri ATCC 7744 exhibit commonality in being FMN-dependent two-component monooxygenases that promote redox coupling by the transfer of flavin reductase-generated FMNH2 by rapid free diffusion. Subsequent studies confirmed the comprehensive inter-species compatibility of both native and non-native flavin reductases with each of the tested monooxygenases. For all three monooxygenases, non-native flavin reductases from Escherichia coli ATCC 11105 and Aminobacter aminovorans ATCC 29600 were confirmed to be more efficient donators of FMNH2 than the corresponding tested native flavin reductases. Some potential practical implications of these outcomes are considered for optimising FMNH2-dependent biooxygenations of recognised practical and commercial value.
The Prospect of Recovering Vanadium, Nickel, and Molybdenum from Stone Coal by Using Combined Beneficiation and Metallurgy Technology Based on Mineralogy Features
Authors: Wang Miao , Cai Liulu , Wen Jiankang , Li Wenjuan , Yang Xinlong , Yang Hongying
Published: December 2022

Black shale ore contains rich strategic metal resources such as vanadium, nickel, and molybdenum, but due to its complex composition, it is currently only used in the vanadium extraction industry. Metals such as nickel and molybdenum have not been effectively recovered, resulting in environmental pollution and resource waste. Using mineralogical features and a combination of beneficiation and metallurgy-based tests, the present work carried out feasibility studies of the combined beneficiation and metallurgy processes. The mineralogical features of the stone coal sample were studied using chemical analysis, an automatic mineral analyzer (BPMA), etc., and we identified the main phase composition, embedded characteristics, and particle size distribution of the associated strategic metals, vanadium, nickel, and molybdenum. The results showed that the grade of V2O5 in the stone coal was 1.29%, which was mainly present in carbonaceous clay and mica minerals. The nickel grade was 0.53%, mainly in the form of nickel–magnesium spinel and a small amount of nickel-containing magnesite. The stone coal contained 0.11% molybdenum; the mineral particles were fine, mostly in the form of molybdenite, and some were associated with carbonaceous matter and carbonaceous clay minerals. Based on the mineralogical feature, we proposed using the scrubbing–desliming and flotation process to enrich vanadium, nickel, and molybdenum. Our preliminary experiments obtained two products: vanadium–molybdenum-rich sludge and nickel-containing tailings. The V2O5 and molybdenum grades in the sludge were 4.10% and 0.44%, respectively, and the recovery was 41.31% and 51.40%, respectively. The nickel grade in the tailings was 1.49%. These products were roasted and leached. The vanadium, nickel, and molybdenum in the stone coal were effectively recovered through the beneficiation–metallurgy combination process, and the comprehensive utilization rate of the stone coal was improved.
Early Mylonitization in the Nevado-Filábride Complex (Betic Cordillera) during the High-Pressure Episode: Petrological, Geochemical and Thermobarometric Data
Authors: Santamaría-López Ángel , Abad Isabel , Nieto Fernando , Sanz de Galdeano Carlos
Published: December 2022

In the western part of the Sierra de los Filabres area, there are fine-grained metamorphic rock bands, showing a field aspect simitar to slates, as previously described in the geological literature of the studied region. They are variable in thickness, from millimeters to tens of meters and appear intercalated in the schist succession. The geochemical resemblance between both types of rocks (major, minor and trace elements), determined by a statistical approach and the comparison of depositional condition indices, points to a similar sedimentary origin of the protolith but different clay content. Mineral facies and illite “crystallinity” indices in the so-called slates indicate that they followed the same metamorphic path and reached the same metamorphic grade than schists. According to compositional zoning detected in micas and garnets present in both lithologies and the P-T conditions deduced from garnets, the mineral nucleation and growth episode of the main mineral paragenesis in these fine-grained schists was more remarkable during the high-pressure event, with a no significant effect of the latter low-pressure–high-temperature episode. In contrast, the coarse-grained schists developed higher size minerals during the low-pressure–high-temperature episode. A differential mylonitization process during the metamorphism is proposed to justify the discrepant field appearance and the contrasting response of both types of metapelitic rocks to the latter metamorphic event.
Advances in Carbon Nanomaterial–Clay Nanocomposites for Diverse Applications
Authors: Boruah Jayanta , Chowdhury Devasish
Published: December 2022

Clay materials are widely used in sheet-type platforms with peculiar characteristics and diverse applications. However, due to some disadvantages—such as weak mechanical strength and low reactivity—they are often subjected to modifications. Such tuning leads to better output than pure clay materials. This review describes some of the clay hybrids in the form of nanocomposites with carbon nanomaterials. Generally, graphene oxide or its derivatives—such as reduced graphene oxide, carbon nanotubes, carbon dots, carbon nanoclusters, and polymeric components—have been utilized so far to make efficient clay composites that have applications such as catalysis, wastewater treatment for toxin removal, cargo delivery, stimulus-responsive advanced tools, optoelectronics, mechanically stable films for filtration, etc. It is interesting to note that nearly all of these applications tend to show the efficacy of modified clay nanocomposites as being significantly greater than that of pure clay, especially in terms of mechanical strength, loading capacity, increased surface area, and tunable functionality. According to the literature, the evidence proves the beneficial effects of these clay nanocomposites with carbon nanomaterials.
A Multi-Scale Study on the Property Degradation of High-Temperature Treated Beishan Granite
Authors: Zhang Xiang , Wei Manke , Lei Zhen , Chen Ying
Published: December 2022

Granite is the main host rock for the underground storage of nuclear waste in Beishan, China. Heat is continuously generated during the long-term disposal of nuclear waste; therefore, it is important to investigate the influence of high temperature on the physical and mechanical properties and the constitutive relation of Beishan granite. In this study, laboratory experiments on heat-treated (25 ∘C, 200 ∘C, 400 ∘C, 600 ∘C and 800 ∘C) Beishan granite samples were performed in combination with nuclear magnetic resonance (NMR) analysis and regular physical-mechanical tests. The results show that the elastic modulus tends to decline faster at the temperature ranges of 25–200 ∘C and 600–800 ∘C by approximately 26.767% and 66.996%, respectively. Compared with the results at 25 ∘C, the peak stress decreases by 72.664% at 800 ∘C. The peak strain increases gradually from 25 ∘C to 600 ∘C and abruptly from 600 ∘C to 800 ∘C. The peak strain at 800 ∘C is 2.303× greater than that at 25 ∘C. Based on the damage theory, the Weibull distribution, the rock damage threshold point, and the residual strength, this study corrected the Drucker–Prager (D–P) criterion to consider the damage stress and then to establish the constitutive model of thermally damaged Beishan granite. The parameters required for the model are conventional mechanical parameters that can be calculated from the uniaxial test results, thus making the model convenient to apply. Meanwhile, the mechanical behavior of thermally damaged Beishan granite under uniaxial compression was simulated using the Particle Flow Code (PFC) to explore the development of cracks from the microscopic scale. The research results can provide theoretical support for the calculation and numerical simulation related to the mechanics of high-temperature treated rocks.
Effects of Salinity and pH on Clay Colloid Aggregation in Ion-Adsorption-Type Rare Earth Ore Suspensions by Light Scattering Analysis
Authors: Li Liang , Wang Li , Liu Qiaochu
Published: December 2022

Ion-adsorption-type rare earth ores (IREOs) are an indispensable strategic resource. Rare earths can be extracted from IREOs by means of in situ leaching, which is strongly influenced by the migration of clay components. In order to clarify the effect of the interaction between mineral particles on the rare earth leaching process, the aggregation of IREO colloids was investigated in suspension after NaCl concentration and pH value were disturbed based on a light scattering method. The results show that IREO colloids are prone to unstable aggregation, which can be affected by salinity and pH in suspension. Combined with the analysis of the surface acid–base properties and the zeta potential of the IREO colloids, the long-range electrostatic attraction between mineral heterogeneous charge surfaces plays a leading role in the interaction between mineral particles. In suspension, electrolyte concentration and pH can adjust the strength of the electrostatic force and the force field overlapping between the surface double electric layers to influence the aggregation of the IREO colloids. The above conclusion can enrich and supplement the rare earth extraction theory, which has a certain guiding significance for green exploitation of IREOs.
Simple and Rapid Synthesis of Organically Modified Natural Acid Clay for the Adsorption of Anionic and Cationic Dyes
Authors: Iwasaki Tomohiro
Published: December 2022

A simple method for organically modifying a natural acid clay (Japanese acid clay) rapidly with alkylamine has been developed. Japanese acid clay mainly consists of acidic montmorillonite and was successfully modified with decylamine in water at room temperature for a short time period (10 min) using an ultrasonic bath without any pretreatments. The structure of the modified clay changed from exterior surface modification to intercalation with an increase in the decylamine content. The equilibrium adsorption capacity for the anionic dye methyl orange (MO) increased with increasing decylamine content. The adsorption kinetics and isotherm were well described by the pseudo-second-order and Langmuir models, respectively. Better MO adsorption was obtained under the conditions of high dosage, low pH value, and low temperature. The adsorbent was also found to have good adsorption for not only MO but also other anionic dyes (Congo red and eosin Y) and cationic dyes (methylene blue, crystal violet, and rhodamine B). In particular, the decylamine-intercalated clay adsorbent exhibited a high level of adsorption capacity for Congo red and crystal violet. The results demonstrate that the synthesis process can provide a simple and cost-effective organoclay as an adsorbent with high performance for the removal of anionic and cationic dyes.
Miglitol, an Oral Antidiabetic Drug, Downregulates Melanogenesis in B16F10 Melanoma Cells through the PKA, MAPK, and GSK3β/β-Catenin Signaling Pathways
Authors: Kim Hyeon-Mi , Hyun Chang-Gu
Published: December 2022

Hyperpigmentation is a common condition that causes darker spots or patches on the skin, which often look brown, black, gray, red, or pink. This results in unresolved psychological impact due to high anxiety, depression, and somatoform disorder. We aimed to repurpose an antidiabetic drug, miglitol, as an effective compound against hyperpigmentation when applied as a cosmeceutical agent. The present study investigated the antimelanogenic effects of miglitol and the trehalase inhibitor validamycin A. Miglitol in isolation exhibited no cytotoxicity and significantly reduced the melanin production and intracellular tyrosinase activity in B16F10 melanoma cells. The Western blotting results showed that miglitol reduces the expression of melanogenic regulatory factors, including tyrosinase, tyrosinase-related protein (TRP)-1, TRP-2, and microphthalmia-associated transcription factor (MITF). Mechanistically, miglitol appears to suppress melanin synthesis through cAMP-dependent protein kinase (PKA)-dependent downregulation of MITF, a master transcription factor in melanogenesis. The antimelanogenic effects of miglitol was mediated by downregulation of the p38 signaling pathway and upregulation of extracellular signal-regulated kinase (ERK). Moreover, miglitol decreases P-GSK3β and β-catenin levels compared to those in the untreated group. However, miglitol activated P-β-catenin expression compared to that in the untreated group. Finally, we tested the potential of miglitol in topical application through primary human skin irritation tests on the normal skin (upper back) of 33 volunteers. In these assays, miglitol (125 and 250 μM) did not induce any adverse reactions. Taken together, these findings suggest that the regulation of melanogenesis by miglitol may be mediated by the PKA, MAPK, and GSK3β/β-Catenin signaling pathways and that miglitol might provide new insights into drug repurposing for the treatment of hyperpigmentation symptoms.
Drug Resistance: The Role of Exosomal miRNA in the Microenvironment of Hematopoietic Tumors
Authors: Cariello Mariaconcetta , Squilla Angela , Piacente Martina , Venutolo Giorgia , Fasano Alessio
Published: December 2022

Extracellular vesicles (EVs), including exosomes, have an important role thanks to their ability to communicate and exchange information between tumor cells and the tumor microenvironment (TME), and have also been associated with communicating anti-cancer drug resistance (DR). The increase in proliferation of cancer cells alters oxygen levels, which causes hypoxia and results in a release of exosomes by the cancer cells. In this review, the results of studies examining the role of exosomal miRNA in DR, and their mechanism, are discussed in detail in hematological tumors: leukemia, lymphoma, and multiple myeloma. In conclusion, we underline the exosome’s function as a possible drug delivery vehicle by understanding its cargo. Engineered exosomes can be used to be more specific for personalized therapy.
Chamomile: A Review of Its Traditional Uses, Chemical Constituents, Pharmacological Activities and Quality Control Studies
Authors: Dai Yun-Lei , Li Ying , Wang Qi , Niu Feng-Jv , Li Kun-Wei , Wang Yun-Yu , Wang Jian , Zhou Chang-Zheng , Gao Li-Na
Published: December 2022

Matricaria chamomilla L. (MC) and Chamaemelum nobile (L.) All. (CN) are two varieties of Chamomile. These herbs have been used for thousands of years in Greece, Rome and ancient Egypt. Chamomile has been used for the treatment of stomach problems, cramps, dermatitis, and minor infections. The purpose of this study was to introduce the botanical characteristics and geographical distribution, traditional uses, chemical constituents, pharmacological activities, toxicity studies and quality control studies, and lay a theoretical foundation for the rational development and utilization of chamomile. This review powered that chemical constituents include flavonoids, coumarins, volatile oils, terpenes, organic acids, polysaccharides, and others. These compounds possess anticancer, anti-infective, anti-inflammatory, antithrombotic, antioxidant, hypolipidaemic, hypoglycaemic, antihypertensive, antidepressant, neuroprotective activities, among others. Chamomile is a widely used herb in traditional medicine. It brings great economic value due to its numerous pharmacological effects and traditional uses. However, more toxicity tests should be carried out to confirm its safety. There is need for further research to provide concrete scientific evidence and validate its medicinal properties.
Biological Activity and Chemical Composition of Propolis from Various Regions of Poland
Authors: Woźniak Magdalena , Sip Anna , Mrówczyńska Lucyna , Broniarczyk Justyna , Waśkiewicz Agnieszka , Ratajczak Izabela
Published: December 2022

Propolis is one of the bee products, with multiple biological properties used in numerous applications. The research objective was to determine the chemical composition and biological properties (antibacterial, antifungal, antiviral, antioxidant, and cytoprotective activity) of propolis extracts collected from various regions of Poland. The results indicated that the total content of phenols (116.16–219.41 mg GAE/g EEP) and flavonoids (29.63–106.07 mg QE/g EEP) in propolis extracts depended on their geographic origin. The high content of epicatechin, catechin, pinobanksin, myricetin, and acids: vanillic and syringic in propolis samples was confirmed by chromatographic analysis. Moreover, the presence of caffeic acid phenethyl ester was confirmed in all samples. The origin of propolis also influenced the biological properties of its extracts. The propolis extracts were characterized by moderate DPPH free radical scavenging activity (29.22–35.14%), and relatively low ferrous iron chelating activity (9.33–32.32%). The results indicated also that the propolis extracts showed high activity in the protection of human red blood cells against free radicals generated from 2,2’-azobis(2-methylpropionamidine) dihydrochloride (AAPH). The extracts exhibited diversified activity against the tested pathogenic bacteria and limited activity against fungal strains. The research of selected propolis extracts showed that only 2 of 5 examined samples showed moderate activity against HPV (human papillomaviruses) and the activity depended on its geographical distribution.
Beyond Pristine Metal–Organic Frameworks: Preparation of Hollow MOFs and Their Composites for Catalysis, Sensing, and Adsorption Removal Applications
Authors: Zha Xiaoqian , Zhao Xianhui , Webb Erin , Khan Shifa Ullah , Wang Yang
Published: December 2022

Metal–organic frameworks (MOFs) have been broadly applied to numerous domains with a substantial surface area, tunable pore size, and multiple unsaturated metal sites. Recently, hollow MOFs have greatly attracted the scientific community due to their internal cavities and gradient pore structures. Hollow MOFs have a higher tunability, faster mass-transfer rates, and more accessible active sites when compared to traditional, solid MOFs. Hollow MOFs are also considered to be candidates for some functional material carriers. For example, composite materials such as hollow MOFs and metal nanoparticles, metal oxides, and enzymes have been prepared. These composite materials integrate the characteristics of hollow MOFs with functional materials and are broadly used in many aspects. This review describes the preparation strategies of hollow MOFs and their composites as well as their applications in organic catalysis, electrochemical sensing, and adsorption separation. Finally, we hope that this review provides meaningful knowledge about hollow-MOF composites and their derivatives and offers many valuable references to develop hollow-MOF-based applied materials.
Efficacy and Mechanism of Quercetin in the Treatment of Experimental Colitis Using Network Pharmacology Analysis
Authors: Zhang Qilian , Wen Feifei , Sun Fang , Xu Zhengguang , Liu Yanzhan , Tao Chunxue , Sun Fei , Jiang Mingchao , Yang Mingtao , Yao Jing
Published: December 2022

Quercetin, a flavonoid that is present in vegetables and fruits, has been found to have anti-inflammatory effects. However, the mechanism by which it inhibits colitis is uncertain. This study aimed to explore the effect and pharmacological mechanism of quercetin on dextran sodium sulfate (DSS)-induced ulcerative colitis (UC). Mice were given a 4% (w/v) DSS solution to drink for 7 days, followed by regular water for the following 5 days. Pharmacological mechanisms were predicted by network pharmacology. High-throughput 16S rDNA sequencing was performed to detect changes in the intestinal microbiota composition. Enzyme-linked immunosorbent assay and western blotting were performed to examine the anti-inflammatory role of quercetin in the colon. Quercetin attenuated DSS-induced body weight loss, colon length shortening, and pathological damage to the colon. Quercetin administration modulated the composition of the intestinal microbiota in DSS-induced mice and inhibited the growth of harmful bacteria. Network pharmacology revealed that quercetin target genes were enriched in inflammatory and neoplastic processes. Quercetin dramatically inhibited the expression of phosphorylated protein kinase B (AKT) and phosphatidylinositol 3-kinase (PI3K). Quercetin has a role in the treatment of UC, with pharmacological mechanisms that involve regulation of the intestinal microbiota, re-establishment of healthy microbiomes that favor mucosal healing, and the inhibition of PI3K/AKT signaling.
Synthesis, In Vitro Anti-Inflammatory Activity, and HRMS Analysis of New Amphetamine Derivatives
Authors: Manolov Stanimir , Ivanov Iliyan , Bojilov Dimitar , Nedialkov Paraskev
Published: December 2022

Herein, we report the obtaining of new hybrid molecules of amphetamine with different profens (amfens). The obtained amfens are characterized by their melting points, UV, 1H–, 13C–NMR, and HRMS spectra. A complete and detailed mass spectral analysis of the newly obtained derivatives of amphetamine with ibuprofen, flurbiprofen, ketoprofen, naproxen, and carprofen was performed. In vitro inhibition of albumin denaturation of each new compound was assessed, and they showed significant activity. The IC50 values of the obtained amphetamine-profen derivatives ranged from 92.81 to 159.87 µg/mL. This indicates that the new hybrids inherit the anti-inflammatory properties of profens. Using in silico method, the toxicity was also calculated. The obtained results are given in LD50 values. Depending on the route of administration, the amfens are less toxic compared to the standard amphetamine.
Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
Authors: Przybyłek Maciej , Bełdowski Piotr , Wieland Florian , Cysewski Piotr , Sionkowska Alina
Published: December 2022

Chitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence chitosan’s affinity for collagen. One of the most important ones is the deacetylation degree (DD) in chitosan and the hydroxylation degree (HD) of proline (PRO) moieties in collagen. In this paper, combinations of both factors were analyzed using a very efficient molecular dynamics approach. It was found that DD and HD modifications significantly affect the structural features of the complex related to considered types of interactions, namely hydrogen bonds, hydrophobic, and ionic contacts. In the case of hydrogen bonds both direct and indirect (water bridges) contacts were examined. In case of the most collagen analogues, a very good correlation between binding free energy and DD was observed.
MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication
Authors: Qin Guo-Fei , Zhang Xiao , Zhu Feng , Huo Zong-Qing , Yao Qing-Qiang , Feng Qun , Liu Zhong , Zhang Gui-Min , Yao Jing-Chun , Liang Hong-Bao
Published: December 2022

Natural products (NPs) have historically played a primary role in the discovery of small-molecule drugs. However, due to the advent of other methodologies and the drawbacks of NPs, the pharmaceutical industry has largely declined in interest regarding the screening of new drugs from NPs since 2000. There are many technical bottlenecks to quickly obtaining new bioactive NPs on a large scale, which has made NP-based drug discovery very time-consuming, and the first thorny problem faced by researchers is how to dereplicate NPs from crude extracts. Remarkably, with the rapid development of omics, analytical instrumentation, and artificial intelligence technology, in 2012, an efficient approach, known as tandem mass spectrometry (MS/MS)-based molecular networking (MN) analysis, was developed to avoid the rediscovery of known compounds from the complex natural mixtures. Then, in the past decade, based on the classical MN (CLMN), feature-based MN (FBMN), ion identity MN (IIMN), building blocks-based molecular network (BBMN), substructure-based MN (MS2LDA), and bioactivity-based MN (BMN) methods have been presented. In this paper, we review the basic principles, general workflow, and application examples of the methods mentioned above, to further the research and applications of these methods.
Effect of Different Heat Treatments on the Quality and Flavor Compounds of Black Tibetan Sheep Meat by HS-GC-IMS Coupled with Multivariate Analysis
Authors: Liu Jiqian , Han Lijuan , Han Wenzheng , Gui Linsheng , Yuan Zhenzhen , Hou Shengzhen , Wang Zhiyou , Yang Baochun , Raza Sayed Haidar Abbas , Alowais Abdulaziz Faisal Saleh , Alraddadi Alaa Ahmed , Alanazi Anwar Mohammed
Published: December 2022

There are limited reports about the effect of different heat treatments on the quality and flavor of Black Tibetan sheep meat. The current study examined the effect of pan-frying, deep-frying, baking, and boiling treatment on the quality of Black Tibetan sheep meat; the amino acid, fatty acid, and volatile flavor compounds (VFCs) were investigated by a texture analyzer, ultra-high-performance liquid chromatography (UHPLC), gas chromatography (GC), and headspace-gas chromatography-ion mobility (HS-GC-IMS). The key VFCs were identified through orthogonal partial least squares discrimination analysis (OPLS-DA), and variable importance projection (VIP) values. In addition, Pearson’s correlations between meat quality parameters and key VFCs were examined. The sensory scores, including texture, color, and appearance, of baked and pan-fried meat were higher than those of deep-fried and boiled meat. The protein (40.47%) and amino acid (62.93 µmol/g) contents were the highest in pan-fried meat (p < 0.05). Additionally, it contained the highest amounts of monounsaturated and polyunsaturated fatty acids, such as oleic, linoleic, and α-linolenic acids (p < 0.05). Meanwhile, pan-fried and deep-fried meat had higher amounts of VFCs than baked meat. The OPLS-DA similarity and fingerprinting analyses revealed significant differences between the three heat treatment methods. Aldehydes were the key aroma compounds in pan-fried meat. Importantly, 3-methylbutyraldehyde and 2-heptanone contents were positively correlated with eicosenoic, oleic, isooleic, linoleic, α-Linolenic, and eicosadiene acids (p < 0.05). To sum up, pan-fried Black Tibetan sheep meat had the best edible, nutritional, and flavor quality.
Comparative Study of the Lipophilicity of Selected Anti-Androgenic and Blood Uric Acid Lowering Compounds
Authors: Wardecki Dawid , Dołowy Małgorzata , Bober-Majnusz Katarzyna , Jampilek Josef
Published: December 2022

This study aimed to evaluate the lipophilicity of a series substances lowering the concentration of uric acid in blood and anti-androgen drugs by thin-layer chromatography in reversed-phase systems (RP-TLC, RP-HPTLC) and computational methods. The chromatographic parameter of lipophilicity (RMW) of tested compounds was determined on three stationary phases, i.e., RP18F254, RP18WF254 and RP2F254, using ethanol–water, propan-2-ol-water and acetonitrile–water in various volume compositions as mobile phases. The chromatographic analysis led to determining the experimental value of the lipophilicity parameter for each of the tested compounds, including those for which the experimental value of the partition coefficient (logPexp) as a measure of lipophilicity is not well described in available databases, such as febuxostat, oxypurinol, ailanthone, abiraterone and teriflunomide. The chromatographic parameters of lipophilicity were compared with the logP values obtained with various software packages, such as AClogP, AlogPs, AlogP, MlogP, XlogP2, XlogP3, ACD/logP and logPKOWWIN. The obtained results indicate that, among selected chromatographic parameters of lipophilicity, both experimental and calculated logP values gave similar results, and these RP-TLC or RP-HPTLC systems can be successfully applied to estimate the lipophilicity of studied heterocyclic compounds belonging to two different pharmacological groups. This work also illustrates the similarity and difference existing between the tested compounds under study using the chemometric methods, such as principal component analysis (PCA) and cluster analysis (CA). In addition, a relatively new approach based on the sum of ranking differences (SRD) was used to compare the chromatographically obtained and theoretical lipophilicity descriptors of studied compounds.
Berbamine Hydrochloride Inhibits African Swine Fever Virus Infection In Vitro
Authors: Zhu Junhai , Huang Lihong , Gao Fei , Jian Weijun , Chen Huahan , Liao Ming , Qi Wenbao
Published: December 2022

African swine fever virus (ASFV) causes a viral disease in swine with a mortality rate of approximately 100%, threatening the global pig industry’s economic development. However, vaccines are not yet commercially available, and other antiviral therapeutics, such as antiviral drugs, are urgently needed. In this study, berbamine hydrochloride, a natural bis-benzylisoquinoline alkaloid isolated from the traditional Chinese herb Berberis amurensis, showed significant antiviral activity against ASFV. The 50% cytotoxic concentration (CC50) of berbamine hydrochloride in porcine alveolar macrophages (PAMs) was 27.89 μM. The antiviral activity assay demonstrated that berbamine hydrochloride inhibits ASFV in a dose-dependent manner. In addition, a 4.14 log TCID50 decrease in the viral titre resulting from non-cytotoxic berbamine hydrochloride was found. Moreover, the antiviral activity of berbamine hydrochloride was maintained for 48h and took effect at multiplicities of infection (MOI) of 0.01, 0.1, and 1. The time-of-addition analysis revealed an inhibitory effect throughout the entire virus life-cycle. A subsequent viral entry assay verified that berbamine hydrochloride blocks the early stage of ASFV infection. Moreover, similar anti-ASFV activity of berbamine hydrochloride was also found in PK-15 and 3D4/21 cells. In summary, these results indicate that berbamine hydrochloride is an effective anti-ASFV natural product and may be considered a novel antiviral drug.
Improving Performance of an Integrated Solar Flow Battery by Cr- and Cu-Doped TiO2 Photoelectrodes
Authors: Zhang Zihan , Lu Ping , Zhao Tong , Su Huaneng , Xu Qian
Published: December 2022

This work reports on the preparation of Cr-doped TiO2 (Cr–TiO2), Cu-doped (Cu-TiO2), and its utilization in the photoanode of a solar redox flow battery (SRFB). A pure TiO2 electrode, Cr-doped TiO2 electrode, and Cu-doped TiO2 electrode coated with different layers are prepared by the sol-gel method. XRD, XPS, and SEM are used to characterize the relevant data of the electrode. All three electrodes show the structure of the anatase phase, but the Cu-TiO2 and Cr-TiO2 electrodes are more crystalline. Using these materials as photoelectrodes to prepare integrated solar flow cells, the semi-cell and full-cell tests show that the doping of Cr and Cu improves the efficiency and charging current of solar cells. The average charging currents of the Cu-TiO2 and Cr-TiO2 electrodes are 384.20 μA and 450.75 μA, respectively, compared with the TiO2 electrode; this increment reaches values of 71.23% and 100.97%.
Allosteric Modulators of Dopamine D2 Receptors for Fine-Tuning of Dopaminergic Neurotransmission in CNS Diseases: Overview, Pharmacology, Structural Aspects and Synthesis
Authors: Kaczor Agnieszka A. , Wróbel Tomasz M. , Bartuzi Damian
Published: December 2022

Allosteric modulation of G protein-coupled receptors (GPCRs) is nowadays a hot topic in medicinal chemistry. Allosteric modulators, i.e., compounds which bind in a receptor site topologically distinct from orthosteric sites, exhibit a number of advantages. They are more selective, safer and display a ceiling effect which prevents overdosing. Allosteric modulators of dopamine D2 receptor are potential drugs against a number of psychiatric and neurological diseases, such as schizophrenia and Parkinson’s disease. In this review, an insightful summary of current research on D2 receptor modulators is presented, ranging from their pharmacology and structural aspects of ligand-receptor interactions to their synthesis.
Marine-Based Candidates as Potential RSK1 Inhibitors: A Computational Study
Authors: AlTarabeen Mousa , Al-Balas Qosay , Albohy Amgad , Müller Werner Ernst Georg , Proksch Peter
Published: December 2022

Manzamines are chemically related compounds extracted from the methanolic extract of Acanthostrongylophora ingens species. Seven compounds were identified by our research group and are being characterized. As their biological target is unknown, this work is based on previous screening work performed by Mayer et al., who revealed that manzamine A could be an inhibitor of RSK1 kinase. Within this work, the RSK1 N-terminal kinase domain is exploited as a target for our work and the seven compounds are docked using Autodock Vina software. The results show that one of the most active compounds, Manzamine A N-oxide (5), with an IC50 = 3.1 μM, displayed the highest docking score. In addition, the compounds with docking scores lower than the co-crystalized ligand AMP-PCP (−7.5 and −8.0 kcal/mol) for ircinial E (1) and nakadomarin A (7) were found to be inferior in activity in the biological assay. The docking results successfully managed to predict the activities of four compounds, and their in silico results were in concordance with their biological data. The β-carboline ring showed noticeable receptor binding, which could explain its reported biological activities, while the lipophilic side of the compound was found to fit well inside the hydrophobic active site.
Study of the Effect of Antibiotics in Drinking Water on the Content of Antioxidant Compounds in Red Wines
Authors: Calsin-Cutimbo Marienela , Huamán-Castilla Nils Leander , Mayta-Hancco Jhony , Escobedo-Pacheco Elías , Zirena-Vilca Franz
Published: December 2022

The presence of antibiotic residues in drinking water may be a source of contamination, which could affect the diffusion of polyphenols into the wine must during the traditional fermentation process. Antibiotic residues such as ivermectin, hydroxychloroquine, ciprofloxacin, and azithromycin on the diffusion of polyphenols and anthocyanins during wine fermentation were studied. Different samples were taken at different periods (0, 48, 96, and 168 h) to analyse the total polyphenols, anthocyanin content, and antioxidant capacity, which were correlated with Peleg’s equation to establish the diffusion kinetics of these compounds. The results indicated that the presence of antibiotics reduced between 40 and 50% the diffusion of the total polyphenols and monomeric anthocyanins in red wine. The use of ivermectin showed the highest kinetic parameter k1 compared with the use of other antibiotics. This suggested that the chemical structure and molecular weight of the antibiotics could play an important role in inhibiting the metabolism of yeasts affecting the ethanol and CO2 production. Consequently, cell membranes would be impermeable and would not allow the release of polyphenols and anthocyanins. Therefore, it is necessary to establish strategies that allow future water quality control in wine production companies.
Immunoregulatory Role of the Mechanosensitive Ion Channel Piezo1 in Inflammation and Cancer
Authors: Wang Yuexin , Zhang Zhiyuan , Yang Qiuli , Cao Yejin , Dong Yingjie , Bi Yujing , Liu Guangwei
Published: December 2022

Piezo1 was originally identified as a mechanically activated, nonselective cation ion channel, with significant permeability to calcium ions, is evolutionally conserved, and is involved in the proliferation and development of various types of cells, in the context of various types of mechanical or innate stimuli. Recently, our study and work by others have reported that Piezo1 from all kinds of immune cells is involved in regulating many diseases, including infectious inflammation and cancer. This review summarizes the recent progress made in understanding the immunoregulatory role and mechanisms of the mechanical receptor Piezo1 in inflammation and cancer and provides new insight into the biological significance of Piezo1 in regulating immunity and tumors.
Tunable Light Field Modulations with Chip- and Fiber-Compatible Monolithic Dielectric Metasurfaces
Authors: Du Bobo , Xu Yunfan , Ding Huimin , Jiang Weitao , Zhang Lei , Zhang Yanpeng
Published: December 2022

Metasurfaces with a high engineering degree of freedom are promising building blocks for applications in metalenses, beam deflectors, metaholograms, sensing, and many others. Though the fundamental and technological challenges, proposing tunable metasurfaces is still possible. Previous efforts in this field are mainly taken on designing sophisticated structures with active materials introduced. Here, we present a generic kind of monolithic dielectric metasurfaces for tunable light field modulations. Changes in the period number and surrounding refractive index enable discrete and continuous modulations of spatial light fields, respectively. We exemplify this concept in monolithic Lithium Niobate metasurfaces for tunable metalenses and beam deflectors. The utilization of monolithic dielectric materials facilitates the ready integration of the metasurfaces with both chip and optical fiber platforms. This concept is not limited by the availability of active materials or expensive and time-consuming fabrication techniques, which can be applied to any transparent dielectric materials and various optical platforms.
Electrochemical Detection of Olivetol Based on Poly(L-Serine) Film Layered Copper Oxide Modified Carbon Paste Electrode (p-L-Serine/CuO/CPE)
Authors: You Zongyi , Zhang Yi , Duan Shengwen , Liu Liangliang
Published: December 2022

Olivetol is an important polyphenol compound and intermediate in the synthesis of cannabinoids possessing many types of biological activities. A facile electrochemical sensor for olivetol was fabricated based on p-L-serine, and copper oxide (CuO) nanoparticles modified carbon paste electrode (p-L-serine/CuO/CPE). The proposed p-L-serine/CuO/CPE was applied to the electrochemical detection of olivetol by cyclic voltammetry (CV) and differential pulse voltammetric (DPV). Through the characterizations of materials and modified electrodes, the p-L-serine/CuO/CPE exhibited enhanced electrochemical signals for olivetol compared to bare CPE and CuO/CPE in both CV and DPV methods. Under the optimized conditions, the proposed p-L-serine/CuO/CPE showed a good quantitative analysis ability and a wide analysis range from 20 to 100 μmol L−1 of olivetol with a limit of detection of 1.04 μmol L−1. Based on the reproducibility, repeatability, and stability exhibited by this fabricated sensor and the cheap and accessible raw materials, the p-L-serine/CuO/CPE became a novel determination choice for olivetol in the electrochemical method with the advantages of being cost-effective and convenient.
A Novel Method for Growing α-Ga2O3 Films Using Mist-CVD Face-to-face Heating Plates
Authors: Zuo Yan , Feng Qian , Zhang Tao , Tian Xusheng , Li Wenji , Li Jiale , Zhang Chunfu , Zhang Jincheng , Hao Yue
Published: December 2022

In this paper, the method for growing α-Ga2O3 films on c-plane sapphire substrates using an inexpensive fine-channel mist-CVD face-to-face heating plate was investigated. Because high temperatures can result in reactor deformation, expensive AlN ceramics resistant to deformation are used as the reactor fabrication material in traditional fine-channel mist-CVD equipment, which limits its use for promotion and research purposes. In this work, we used a face-to-face heating method to replace the traditional single-sided heating method which will reduce the requirement for equipment sealability. Therefore, cheap quartz can be used to replace expensive AlN ceramics to make reactors, which can greatly reduce the cost of mist-CVD equipment. We also investigated the effects of substrate temperature and carrier gas on the crystalline quality and surface morphology of α-Ga2O3 films. By optimizing the fabrication conditions, we obtained triangular grains with edges that were clearly visible in atomic force microscopy images. Using absorption spectrum analysis, we also found that the optical bandgap of the film reached 5.24 eV. Finally, we recorded a value of 508 arcsec for the full width at half maximum of the α-Ga2O3 (0006) diffraction peak in the X-ray diffraction pattern.
Modulating Charge Mobility in Microwave Synthesized Ti-doped ZnS Nanoparticles for Potential Photoanode Applications
Authors: Maswanganye Mpho W. , Kabongo Guy L. , Dhlamini Mokhotjwa S.
Published: December 2022

Doping ZnS nanoparticles with different metal and/or non-metal ions is one of the ways to improve their properties. That is because dopants introduce strain into the lattice of the ZnS nanoparticles. The influence of Ti on the ZnS nanoparticles was investigated on the structural properties, optical properties, and also electrical impedance spectroscopy (EIS). The presence of Ti in the crystal lattice of the ZnS introduced strain into the crystal structure, hence causing a lattice expansion and reducing the crystallite sizes of the ZnS nanoparticles. Ti doping was observed to increase the energy band gap of ZnS nanoparticles and also reduce the charge carrier recombination. Doping Ti into ZnS was observed to decrease the charge transfer resistance of ZnS nanoparticles with an increase in dopant concentration indicating an improved charge transfer mobility owing to the presence of strain in the crystal lattice.