bluuebunny/crossref_metadata_2025 huggingface dataset:
A Quantitative Evaluation Method for Obstacle Avoidance Performance of Unmanned Ship
Authors: Xiao Guoquan , Ren Bing , Tong Chao , Hong Xiaobin
Published: October 2021

In response to the urgent need for quantitative evaluation of the obstacle avoidance performance of an unmanned ship, a quantitative evaluation model is established to evaluate quantitatively the obstacle perception performance, static obstacle avoidance performance and dynamic obstacle avoidance performance of an unmanned ship. The base data for calculating are derived from the shore-based database; the evaluation factor layer is evaluated by the cost function method. Based on the established evaluation model, the quantitative evaluation score of the obstacle perception performance of the unmanned ship is obtained by data analysis for the 50 to 100 m buoy and 100 m island obstacle perception test. The quantitative evaluation score of the static obstacle avoidance performance obtained by testing the performance of a single obstacle, continuous obstacle and inflection obstacle is 68.8 points. For buoys as dynamic obstacles, the dynamic obstacle avoidance performance quantitative evaluation score of 64.13 points is obtained by testing the performance of obstacle avoidance in chasing, facing and crossing encounters. The analysis of the test data saved to the database verify the rationality of the quantitative evaluation model, which can provide reference for the quantitative evaluation and improvement of the unmanned ship’s obstacle avoidance performance.
Waste Rose Flower and Lavender Straw Biomass—An Innovative Lignocellulose Feedstock for Mycelium Bio-Materials Development Using Newly Isolated Ganoderma resinaceum GA1M
Authors: Angelova Galena , Brazkova Mariya , Stefanova Petya , Blazheva Denica , Vladev Veselin , Petkova Nadejda , Slavov Anton , Denev Petko , Karashanova Daniela , Zaharieva Roumiana , Enev Atanas , Krastanov Albert
Published: October 2021

In this study, for the first time, the potential of rose flowers and lavender straw waste biomass was studied as feeding lignocellulose substrates for the cultivation of newly isolated in Bulgaria Ganoderma resinaceum GA1M with the objective of obtaining mycelium-based bio-composites. The chemical characterization and Fourier Transform Infrared (FTIR) spectroscopy established that the proximate composition of steam distilled lavender straw (SDLS) and hexane extracted rose flowers (HERF) was a serious prerequisite supporting the self-growth of mycelium bio-materials with improved antibacterial and aromatic properties. The basic physico-mechanical properties of the developed bio-composites were determined. The apparent density of the mycelium HERF-based bio-composites (462 kg/m3) was higher than that of the SDLS-based bio-composite (347 kg/m3) and both were much denser than expanded polystyren (EPS), lighter than medium-density fiber board (MDF) and oriented strand board (OSB) and similar to hempcrete. The preliminary testing of their compressive behavior revealed that the compressive resistance of SDLS-based bio-composite was 718 kPa, while for HERF-based bio-composite it was 1029 kPa and both values are similar to the compressive strength of hempcrete with similar apparent density. Water absorbance analysis showed, that both mycelium HERF- and SDLS-based bio-composites were hydrophilic and further investigations are needed to limit the hydrophilicity of the lignocellulose fibers, to tune the density and to improve compressive resistance.
Serum Sialylation Changes in Actinic Keratosis and Cutaneous Squamous Cell Carcinoma Patients
Authors: Tampa Mircea , Nicolae Ilinca , Mitran Cristina Iulia , Mitran Madalina Irina , Ene Cosmin , Matei Clara , Georgescu Simona Roxana , Ene Corina Daniela
Published: October 2021

Cutaneous squamous cell carcinoma (cSCC), a malignant proliferation of the cutaneous epithelium, is the second most common skin cancer after basal cell carcinoma (BCC). Unlike BCC, cSCC exhibits a greater aggressiveness and the ability to metastasize to any organ in the body. Chronic inflammation and immunosuppression are important processes linked to the development of cSCC. The tumor can occur de novo or from the histological transformation of preexisting actinic keratoses (AK). Malignant cells exhibit a higher amount of sialic acid in their membranes than normal cells, and changes in the amount, type, or linkage of sialic acid in malignant cell glycoconjugates are related to tumor progression and metastasis. The aim of our study was to investigate the sialyation in patients with cSCC and patients with AK. We have determined the serum levels of total sialic acid (TSA), lipid-bound sialic acid (LSA), beta-galactoside 2,6-sialyltransferase I (ST6GalI), and neuraminidase 3 (NEU3) in 40 patients with cSCC, 28 patients with AK, and 40 healthy subjects. Data analysis indicated a significant increase in serum levels of TSA (p < 0.001), LSA (p < 0.001), ST6GalI (p < 0.001), and NEU3 (p < 0.001) in the cSCC group compared to the control group, whereas in patients with AK only the serum level of TSA was significantly higher compared to the control group (p < 0.001). When the cSCC and AK groups were compared, significant differences between the serum levels of TSA (p < 0.001), LSA (p < 0.001), ST6GalI (p < 0.001) and NEU3 (p < 0.001) were found. The rate of synthesis of sialoglycoconjugates and their rate of enzymatic degradation, expressed by the ST6GalI/NEU3 ratio, is 1.64 times lower in the cSCC group compared to the control group (p < 0.01) and 1.53 times lower compared to the AK group (p < 0.01). The tumor diameter, depth of invasion, and Ki67 were associated with higher levels of TSA and LSA. These results indicate an aberrant sialylation in cSCC that correlates with tumor aggressiveness.
Do Overlapped Audit Committee Directors Affect Tax Avoidance?
Authors: Al Lawati Hidaya , Hussainey Khaled
Published: October 2021

This research is motivated by the Omani government’s desire to reduce tax avoidance and bolster tax revenue collected from financial institutions. The purpose of this paper is to examine the impact of overlapped audit committee (AC) chairs and other directors on tax avoidance practice and whether they play a monitoring or advisory role in tax avoidance practice. As a measure of overlapped AC chairs, we used a dummy variable to indicate whether an AC chair sits on other committees within a company or not. We used the proportion of AC members who serve on the AC and other committees within a company as our proxy for overlapped AC directors. We used a company’s cash effective tax rate as a proxy for tax avoidance. We regressed tax avoidance on overlapped AC membership and other control variables, using a sample of 204 firm-year observations from financial institutions listed on the Muscat Stock Exchange between 2014 and 2019. Our regression results show that a higher proportion of overlapped AC members and the presence of an overlapped AC chair were both associated with lower effective tax rates, which equated to more tax avoidance. This suggests that these directors play an advisory role in the Omani context. We found, however, that these directors play a monitoring role when firms take a loss. From these findings, we draw important implications for regulators who need to rethink the potential consequences of having overlapped AC chairs and AC directors. Our study focuses on Omani financial institutions, which are highly regulated and monitored by the central bank, and our findings may not be directly applicable to non-financial institutions that are less regulated, so caution is needed when interpreting the findings. Further research could employ a repeated measured research design, such as ours, and explore the same research question in non-financial institutions.
Picture Hesitant Fuzzy Clustering Based on Generalized Picture Hesitant Fuzzy Distance Measures
Authors: Ali Zeeshan , Mahmood Tahir , Ullah Kifayat
Published: October 2021

Certain scholars have generalized the theory of fuzzy set, but the theory of picture hesitant fuzzy set (PHFS) has received massive attention from distinguished scholars. PHFS is the combination of picture fuzzy set (PFS) and hesitant fuzzy set (HFS) to cope with awkward and complicated information in real-life issues. The well-known characteristic of PHFS is that the sum of the maximum of the membership, abstinence, and non-membership degree is limited to the unit interval. This manuscript aims to develop some generalized picture hesitant distance measures (GPHDMs) as a generalization of generalized picture distance measures (GPDMs). The properties of developed distance measures are investigated, and the generalization of developed theory is proved with the help of some remarks and examples. A clustering problem is solved using GPHDMs and the results obtained are explored. Some advantages of the proposed work are discussed, and some concluding remarks based on the summary of the proposed work and as well as future directions, are added.
Farmland Changes and Their Ecological Impact in the Huangshui River Basin
Authors: Wei Hui , Lu Changhe , Liu Yaqun
Published: October 2021

The Huangshui River Basin (HRB) is the main grain production and key implementation region of the “Grain for Green Program” (GGP) of Qinghai Province, and has experienced a quick urbanization during the last 20 years. Therefore, identifying the farmland change and its ecological effects is significant for farmland and ecological protection in the HRB. To this end, this study analyzed the farmland change between 2000 and 2018, based on 1 m spatial resolution farmland data visually interpreted from Google Earth high-resolution images, and then estimated its ecological impact based on the Normalized Difference Vegetation Index (NDVI) data of MODIS, using an ecological impact index of farmland change. The study found that: (1) The farmland area in the HRB decreased from 320.15 k ha in 2000 to 245.01 k ha in 2018, reduced by 23.47% or 1.48% per year, as mainly caused by ecological restoration and built-up land occupation; (2) from 2000 to 2018, the natural environment showed a greening trend in the HRB, with the mean NDVI increasing by 0.74% per year; (3) the farmland changes had a positive ecological effect, contributing 6.67% to the regional increase in the NDVI, but had a negative impact on grain production; (4) it is suggested to strengthen farmland protection by strictly controlling the urban land occupation and over-conversion of farmland in the HRB.
Multi-Dimensional Feature Recognition and Policy Implications of Rural Human–Land Relationships in China
Authors: Dong Guanglong , Zhang Wenxin , Xu Xinliang , Jia Kun
Published: October 2021

Rural decline has become an indisputable fact and a global issue. As a developing country, China is simultaneously facing unprecedented rapid urbanization and severe rural decline. The coordinated development of its rural human–land relationship is therefore of great significance for ensuring the country’s food security and achieving both rural revitalization and sustainable development. Yet, the related research on this complex subject has mostly focused on a single element: rural settlements. Since studies of the rural human–land relationship tend to only discuss the coordinated change in rural populations vis-à-vis rural settlement area, their degree of spatial matching and intensive utilization level of rural settlements has been largely overlooked. To rectify this imbalance, using data on rural populations and rural settlement area in counties of Shandong Province in 2009 and 2018, this paper applied the methods of per capita rural settlement area, the Theil index, and Tapio’s decoupling model to quantitatively identify the rural human–land relationship along three dimensions: intensive utilization level, spatial matching degree, and change coordination degree. The results revealed that the per capita rural settlement area in Shandong Province was as high as 212.18 m2/person in 2018, which exceeded the standard to varying degrees in all cities, having an overall geographical pattern of being high in the north and low in the south. The Theil index for all cities was small, which indicates that the spatial matching between rural population and rural settlements is high. To sum up, there are small differences in the utilization of rural settlements among cities, and their extensive utilization of rural settlements is a common phenomenon. In addition, the relationship between the changes in the rural population size and rural settlement area corresponded to a discordant state, in the form of strong negative decoupling, expansive negative decoupling, and expansive coupling; however, among them, the strong negative decoupling type was the dominant type. It is worth noting that all of these three types will exacerbate the extensive utilization of rural settlements. Accordingly, this paper proposes policies and measures, such as the paid withdrawal of rural homesteads, an expanded scope of homestead transfer, cross-regional “increasing versus decreasing balance”, classified promotion of rural revitalization, and improved village planning.
A Spatial Typography of Environmentally Friendly Common Agricultural Policy Support Relevant to European Green Deal Objectives
Authors: Rudnicki Roman , Wiśniewski Łukasz , Biczkowski Mirosław
Published: October 2021

The European Union (EU), through its implementation of the Common Agricultural Policy (CAP), is increasingly emphasising the development of environmentally friendly forms of agriculture. This is confirmed by, for example, the new European Green Deal (EGD). In Poland, the most important forms of CAP support for the environmentally friendly management of agricultural land were the following measures: agri-environment-climate measures (AECM) and organic farming (OF). These aid instruments facilitated the use of a range of packages and variants, which resulted in the pro-environmental forms of support offered by the CAP support having a very diverse internal structure. This study therefore attempts to synthesise the diversity of CAP financial support using spatial typology methods. The researched support measures were divided into three basic directions for developing agriculture: ecology, environment and habitat. The research procedure involved the D’Hondt method, the normalisation method, standardisation and correlation. The study was conducted on the example of Poland, and the basic territorial unit of analysis was the commune. It was shown that support for environmentally friendly activities in Poland related to almost 10% of the total farm area. The utilised agricultural area (UAA) covered by subsidies can be broken down as follows: organic farming—32.7%, environmental farming—31.8%, habitat farming—35.5%. The detailed results of the typology indicate the complexity of the spatial distribution of environmentally friendly CAP funds, which is defined by environmental determinants and the characteristics of the farms themselves. Farm-specific, non-environmental determinants were found to be the most significant, including farm size and managerial expertise.
Molecular and Cellular Mechanisms of Vascular Development in Zebrafish
Authors: Eberlein Jean , Herdt Lukas , Malchow Julian , Rittershaus Annegret , Baumeister Stefan , Helker Christian SM
Published: October 2021

The establishment of a functional cardiovascular system is crucial for the development of all vertebrates. Defects in the development of the cardiovascular system lead to cardiovascular diseases, which are among the top 10 causes of death worldwide. However, we are just beginning to understand which signaling pathways guide blood vessel growth in different tissues and organs. The advantages of the model organism zebrafish (Danio rerio) helped to identify novel cellular and molecular mechanisms of vascular growth. In this review we will discuss the current knowledge of vasculogenesis and angiogenesis in the zebrafish embryo. In particular, we describe the molecular mechanisms that contribute to the formation of blood vessels in different vascular beds within the embryo.
Generalized Counting Processes in a Stochastic Environment
Authors: Cocco Davide , Giona Massimiliano
Published: October 2021

This paper addresses the generalization of counting processes through the age formalism of Lévy Walks. Simple counting processes are introduced and their properties are analyzed: Poisson processes or fractional Poisson processes can be recovered as particular cases. The stationarity assumption in the renewal mechanism characterizing simple counting processes can be modified in different ways, leading to the definition of generalized counting processes. In the case that the transition mechanism of a counting process depends on the environmental conditions—i.e., the parameters describing the occurrence of new events are themselves stochastic processes—the counting processes is said to be influenced by environmental stochasticity. The properties of this class of processes are analyzed, providing several examples and applications and showing the occurrence of new phenomena related to the modulation of the long-term scaling exponent by environmental noise.
Controlled Positive Dynamic Systems with an Entropy Operator: Fundamentals of the Theory and Applications
Authors: Popkov Yuri S.
Published: October 2021

Controlled dynamic systems with an entropy operator (DSEO) are considered. Mathematical models of such systems were used to study the dynamic properties in demo-economic systems, the spatiotemporal evolution of traffic flows, recurrent procedures for restoring images from projections, etc. Three problems of the study of DSEO are considered: the existence and uniqueness of singular points and the influence of control on them; stability in “large” of the singular points; and optimization of program control with linear feedback. The theorems of existence, uniqueness, and localization of singular points are proved using the properties of equations with monotone operators and the method of linear majorants of the entropy operator. The theorem on asymptotic stability of the DSEO in “large” is proven using differential inequalities. Methods for the synthesis of quasi-optimal program control and linear feedback control with integral quadratic quality functional, and ensuring the existence of a nonzero equilibrium, were developed. A recursive method for solving the integral equations of the DSEO using the multidimensional functional power series and the multidimensional Laplace transform was developed. The problem of managing regional foreign direct investment is considered, the distribution of flows is modeled by the corresponding DSEO. It is shown that linear feedback control is a more effective tool than program control.
Chondracanthus teedei var. lusitanicus: The Nutraceutical Potential of an Unexploited Marine Resource
Authors: Pacheco Diana , Cotas João , Domingues Andreia , Ressurreição Sandrine , Bahcevandziev Kiril , Pereira Leonel
Published: October 2021

Presently, there is a high demand for nutritionally enhanced foods, so it is a current challenge to look at new raw food sources that can supplement beneficially the human diet. The nutritional profile and key secondary metabolites of red seaweeds (Rhodophyta) are gaining interest because of this challenge. In this context, the possible use of the red seaweed Chondracanthus teedei var. lusitanicus (Gigartinales) as a novel nutraceutical source was investigated. As a result, we highlight the high mineral content of this seaweed, representing 29.35 g 100 g−1 of its dry weight (DW). Despite the low levels of calcium and phosphorus (0.26 and 0.20 g 100 g−1 DW, respectively), this seaweed is an interesting source of nitrogen and potassium (2.13 and 2.29 g−1 DW, accordingly). Furthermore, the high content of carbohydrates (56.03 g 100 g−1 DW), which acts as dietary fibers, confers a low caloric content of this raw food source. Thus, this study demonstrates that C. teedei var. lusitanicus is in fact an unexploited potential resource with the capability to provide key minerals to the human diet with promising nutraceutical properties.
Quaternized Diaminobutane/Poly(vinyl alcohol) Cross-Linked Membranes for Acid Recovery via Diffusion Dialysis
Authors: Ashraf Muhammad Adnan , Islam Atif , Butt Muhammad Arif , Mannan Hafiz Abdul , Khan Rafi Ullah , Kamran Kashif , Bashir Shahid , Iqbal Javed , Al-Ghamdi Ahmed A. , Al-Sehemi Abdullah G.
Published: October 2021

Diffusion dialysis (DD) using anion exchange membranes (AEM) is an effective process for acid recovery and requires the preparation of suitable materials for AEMs, characterized by unique ions transport properties. In this work, novel AEMs composed of quaternized diaminobutane (QDAB) and poly(vinyl alcohol) (PVA) were cross-linked by tetraethoxysilane (TEOS) via the sol–gel process. The prepared AEMs were systematically characterized by Fourier-transform infrared (FTIR) spectroscopy, ion-exchange capacity (IEC) analysis, thermo gravimetric analysis (TGA), water uptake, linear expansion ratio (LER), and mechanical strength determination, scanning electron microscopy (SEM), and DD performance analysis for acid recovery using a hydrochloric acid/iron chloride (HCl/FeCl2) aqueous mixture and varying the QDAB content. The prepared AEMs exhibited IEC values between 0.86 and 1.46 mmol/g, water uptake values within 71.3 and 47.8%, moderate thermal stability, tensile strength values in the range of 26.1 to 41.7 MPa, and elongation from 68.2 to 204.6%. The dialysis coefficient values were between 0.0186 and 0.0295 m/h, whereas the separation factors range was 24.7–44.1 at 25 °C. The prepared membranes have great potential for acid recovery via diffusion dialysis.
Wear Behaviour of N Ion Implanted Ti-6Al-4V Alloy Processed by Selective Laser Melting
Authors: Li Hua , Chen Zhan W. , Fiedler Holger , Ramezani Maziar
Published: October 2021

Selective laser melting (SLM) is a laser-based powder bed fusion additive manufacturing technique extensively used in industry. One of the most commonly used alloys in SLM process is Ti-6Al-4V. However, its tribological properties when coated with N ion implantation is not well understood. In the ion implantation process used in this study, N2+ and N+ are accelerated to the energy of 60 keV and implanted to a fluence of 6 × 1017 at.cm−2. The effect of N ion implanted layer in terms of hardness values and how this implanted layer may affect wear process and wear rate is investigated in this paper. Sliding wear tests were conducted on SLM and conventionally processed samples implanted with N ions, followed by examining the wear tracks and coefficient of friction in order to explain the wear rate data obtained. The results showed that N+ implantation increased hardness within the depth of ~200 nm and reduced wear rate in SLM samples, while N2+ was not beneficial.
Manufacturing of Tool Steels by PBF-EB
Authors: Kirchner Alexander , Klöden Burghardt , Franke-Jurisch Marie , Inarra Rauh-Hain Luis , Weißgärber Thomas
Published: October 2021

Additive manufacturing (AM) of metals is stimulating the tool making industry. Moreover, besides the production of lost forms, AM processes are now being used to directly generate tools, molds or parts, leading to massive time savings. In the case of material development for AM, the challenge is to operate with carbon-containing iron-based materials distinguished by high strength and hardness, as well as high corrosion resistance and thermal conductivity. Often, those materials are susceptible to crack formation during processing. Using Electron Beam Powder Bed Fusion (PBF-EB), the challenge of crack formation can be overcome by using high process temperatures in the range 800–900 °C. In this paper, results on the processing of a cold-working tool steel (X65MoCrWV3-2) and a hot-working steel (X37CrMoV5-1) will be presented. These include the processing window, processing strategies to minimize the density of cracks and properties with respect to microstructure and hardness.
Diagnosis of Problems in Truck Ore Transport Operations in Underground Mines Using Various Machine Learning Models and Data Collected by Internet of Things Systems
Authors: Park Sebeom , Jung Dahee , Nguyen Hoang , Choi Yosoon
Published: October 2021

This study proposes a method for diagnosing problems in truck ore transport operations in underground mines using four machine learning models (i.e., Gaussian naïve Bayes (GNB), k-nearest neighbor (kNN), support vector machine (SVM), and classification and regression tree (CART)) and data collected by an Internet of Things system. A limestone underground mine with an applied mine production management system (using a tablet computer and Bluetooth beacon) is selected as the research area, and log data related to the truck travel time are collected. The machine learning models are trained and verified using the collected data, and grid search through 5-fold cross-validation is performed to improve the prediction accuracy of the models. The accuracy of CART is highest when the parameters leaf and split are set to 1 and 4, respectively (94.1%). In the validation of the machine learning models performed using the validation dataset (1500), the accuracy of the CART was 94.6%, and the precision and recall were 93.5% and 95.7%, respectively. In addition, it is confirmed that the F1 score reaches values as high as 94.6%. Through field application and analysis, it is confirmed that the proposed CART model can be utilized as a tool for monitoring and diagnosing the status of truck ore transport operations.
Interface Sampling and Indicator Minerals for Detecting the Footprint of the Lancefield North Gold Deposit under the Permian Glacial Cover in Western Australia
Authors: Salama Walid , Verrall Michael , Culver Kirsty , Anand Ravi
Published: October 2021

Areas under a thick Permian glacial cover in Western Australia formed as glaciers gouged fresh bedrock and deposited diamictites in disconnected valleys and basins. These areas now present the greatest challenge for mineral exploration in the northeast Yilgarn Craton. At the Lancefield North gold prospect, in the southern part of the Duketon Greenstone Belt, Permian diamictites on average 40 m thick cover unweathered basalt hosting gold mineralization. The basal Permian diamictites consist of fresh, very poorly sorted, angular to rounded, pebble- to boulder-sized, polymictic clasts supported by a matrix of coarse-grained sand and mud. The framework and matrix are cemented by calcite, dolomite, chlorite, and pyrite. These diamictites are stable under alkaline and reducing conditions below the water table. Detrital; fresh sulfides; gold; and opaque oxides, such as pyrite, pyrrhotite, chalcopyrite, sphalerite, arsenopyrite, gersdorffite, cobaltite, pentlandite, scheelite and galena, chromite, ilmenite, and magnetite, are identified in the framework and matrix of the fresh diamictites, and these are identical to those in the primary gold mineralization. Weathering of diamictites and oxidation of detrital and diagenetic sulfides above the water table produced several Fe- and Mn-rich redox fronts and secondary chalcocite and bornite. Interface sampling across the Archean–Permian unconformity shows Au, As, Zn, Ni, Co, and Cd anomalism over the mineralization compared to the background. However, these elements are low in concentration in the redox fronts, where Fe is correlated with As, Cu, Mo, and Sb and Mn is correlated with Co, Ni, and Ba. Gold shows elevated levels in the fresh basal diamictites and decreases in the weathered diamictites over the mineralization. A sampling at or near the Archean–Permian unconformity (interface sampling) only delineates gold mineralization, with no hydromorphic dispersion halo beyond the peripheries. At the Lancefield North prospect, the detrital indicator sulfides are mechanically dispersed up to 500 m to the east of the mineralization in the direction of ice flow. This dispersal distance is controlled by the rough topography of the Archean–Permian unconformity, and it may be greater, but the estimation of the actual distance of transport is limited by the distribution of drill hole locations.
Polyphenolic Extracts from Spent Coffee Grounds Prevent H2O2-Induced Oxidative Stress in Centropomus viridis Brain Cells
Authors: Leyva-López Nayely , Peraza-Arias Melissa , Avalos-Soriano Anaguiven , Hernández Crisantema , Lizárraga-Velázquez Cynthia E. , Heredia J. Basilio
Published: October 2021

Oxidative stress in aquatic organisms might suppress the immune system and propagate infectious diseases. This study aimed to investigate the protective effect of polyphenolic extracts from spent coffee grounds (SCG) against oxidative stress, induced by H2O2, in C. viridis brain cells, through an in vitro model. Hydrophilic extracts from SCG are rich in quinic, ferulic and caffeic acids and showed antioxidant capacity in DPPH, ORAC and FRAP assays. Furthermore, pretreatment of C. viridis brain cells with the polyphenolic extracts from SCG (230 and 460 µg/mL) for 24 h prior to 100 µM H2O2 exposure (1 h) significantly increased antioxidant enzymes activity (superoxide dismutase and catalase) and reduced lipid peroxidation (measured by MDA levels). These results suggest that polyphenols found in SCG extracts exert an antioxidative protective effect against oxidative stress in C. viridis brain cells by stimulating the activity of SOD and CAT.
Plant-Based Natural Products and Extracts: Potential Source to Develop New Antiviral Drug Candidates
Authors: Thomas Eyana , Stewart Laura E. , Darley Brien A. , Pham Ashley M. , Esteban Isabella , Panda Siva S.
Published: October 2021

Viral infections are among the most complex medical problems and have been a major threat to the economy and global health. Several epidemics and pandemics have occurred due to viruses, which has led to a significant increase in mortality and morbidity rates. Natural products have always been an inspiration and source for new drug development because of their various uses. Among all-natural sources, plant sources are the most dominant for the discovery of new therapeutic agents due to their chemical and structural diversity. Despite the traditional use and potential source for drug development, natural products have gained little attention from large pharmaceutical industries. Several plant extracts and isolated compounds have been extensively studied and explored for antiviral properties against different strains of viruses. In this review, we have compiled antiviral plant extracts and natural products isolated from plants reported since 2015.
Enhancing the Thermal Stability of Ionogels: Synthesis and Properties of Triple Ionic Liquid/Halloysite/MCC Ionogels
Authors: Alekseeva Olga V. , Shibaeva Valeriya D. , Noskov Andrew V. , Ivanov Vladimir K. , Agafonov Alexander V.
Published: October 2021

In this study, an ionic liquid (IL), 1-butyl-3-methylimidazolium acetate, was used to prepare ionogels with microcrystalline cellulose (MCC) and halloysite (Hal). SEM, XRD, TG, DSC, FTIR spectroscopy, conductometry and mechanical tests were used to study the morphology, structure, thermal behaviour and electrophysical and mechanical characteristics of synthesised ionogels. XRD analysis showed a slight decrease in the interlayer space of halloysite in ionogels containing MCC, which may have been associated with the removal of residual water molecules resulting from hydrophilic IL anions and polymer macromolecules. A change in conductivity and glass-transition temperature of the ionic liquid was revealed due to intercalation into halloysite (a confinement effect) and modification with cellulose. For triple IL/Hal/MCC ionogels, the characteristic thermal degradation temperatures were higher than the corresponding values for IL/Hal composites. This indicates that the synthesised IL/Hal/MCC ionogels are characterised by a greater thermal stability than those of IL/Hal systems.
Acacetin Inhibits the Growth of STAT3-Activated DU145 Prostate Cancer Cells by Directly Binding to Signal Transducer and Activator of Transcription 3 (STAT3)
Authors: Yun Sun , Lee Yu-Jin , Choi Jiyeon , Kim Nam Doo , Han Dong Cho , Kwon Byoung-Mog
Published: October 2021

Signal transducer and activator of transcription 3 (STAT3) plays a critical role in the formation and growth of human cancer. Therefore, STAT3 is a therapeutic target for cancer drug discovery. Acacetin, a flavone present in various plants, inhibits constitutive and inducible STAT3 activation in STAT3-activated DU145 prostate cancer cells. Acacetin inhibits STAT3 activity by directly binding to STAT3, which we confirmed by a pull-down assay with a biotinylated compound and two level-free methods, namely, a drug affinity responsive target stability (DARTS) experiment and a cellular thermal shift assay (CETSA). Acacetin inhibits STAT3 phosphorylation at the tyrosine 705 residue and nuclear translocation in DU145 cells, which leads to the downregulation of STAT3 target genes. Acacetin then induces apoptosis in a time-dependent manner. Interestingly, acacetin induces the production of reactive oxygen species (ROS) that are not involved in the acacetin-induced inhibition of STAT3 activation because the suppressed p-STAT3 level is not rescued by treatment with GSH or NAC, which are general ROS inhibitors. We also found that acacetin inhibits tumor growth in xenografted nude mice. These results suggest that acacetin, as a STAT3 inhibitor, could be a possible drug candidate for targeting STAT3 for the treatment of cancer in humans.
Multifunctional Viologen-Derived Supramolecular Network with Photo/Vapochromic and Proton Conduction Properties
Authors: Zhang Chuanqi , Shi Huaizhong , Zhang Chenghui , Yan Yan , Liang Zhiqiang , Li Jiyang
Published: October 2021

A supramolecular network [H4bdcbpy(NO3)2·H2O] (H4bdcbpy = 1,1′-Bis(3,5-dicarboxybenzyl)-4,4′-bipyridinium) (1) was prepared by a zwitterionic viologen carboxylate ligand in hydrothermal synthesis conditions. The as-synthesized (1) has been well characterized by means of single-crystal/powder X-ray diffraction, elemental analysis, thermogravimetric analysis and infrared and UV-vis spectroscopy. This compound possesses a three-dimensional supramolecular structure, formed by the hydrogen bond and π–π interaction between the organic ligands. This compound shows photochromic properties under UV light, as well as vapochromic behavior upon exposure to volatile amines and ammonia, in which the electron transfer from electron-rich parts to the electron-deficient viologen unit gives rise to colored radicals. Moreover, the intensive intermolecular H-bonding networks in 1 endows it with a proton conductivity of 1.06 × 10−3 S cm−1 in water at 90 °C.
UPLC–TOF–MS Method for Simultaneous Quantification of Steroid Hormones in Tissue Homogenates of Zebrafish with Solid-Phase Extraction
Authors: Li Yaxi , Yan Zhi , Li Xiaodong , Yin Xiuli , Li Ke
Published: October 2021

The quantification of steroid hormones of individual zebrafish (Danio rerio) provides perspective to understand endogenous hormone function. A UPLC–TOF–MS method was developed to provide a reproducible, sensitive, and efficient assay to determine the concentration of steroid hormones, including cortisol, testosterone, androstenedione, 11-deoxycortisol, 11-deoxycorticosterone, and 17-hydroxyprogesterone in whole-body homogenates of each zebrafish. Solid-phase extraction was used to sample matrix clean-up and acquired a recovery from 89.7% to 107.9%. The analytes were separated on an Aquity BEH C18 column using gradient elution. Mass spectrometric analysis was performed by single reaction monitoring (SRM) using positive electrospray ionization mode. The total running time was 6 min, which was greatly shortened compared with a previously reported method. The developed method exhibited excellent linearity for all the analytes, with regression coefficients higher than 0.99. The limit of detection varied between 0.1 and 0.5 ng/L and the limit of quantification was 0.5–1.7 ng/L for all analytes. The precision of the method was assessed on replicate measurements and was found to be in the ranges of 1.9 % to 6.6% and 4.3% to 8.6%, for intra- and inter-day analysis, respectively. This method was validated according to FDA guidance and applied to determine steroid hormone levels in the tissue homogenate of zebrafish acutely treated with caffeine and ethanol.
p53 Antibodies as a Diagnostic Marker for Cancer: A Meta-Analysis
Authors: Sobhani Navid , Roviello Giandomenico , D’Angelo Alberto , Roudi Raheleh , Neeli Praveen Kumar , Generali Daniele
Published: October 2021

Importance: The protein p53 is an unequivocal tumor suppressor that is altered in half of all cancers. The immune system produces systemic p53 autoantibodies (p53 Abs) in many cancer patients. Objective: This systemic review and meta-analysis focuses on the prognostic value of p53 Abs expressed in the serum of patients with solid tumors. Data Sources: All the clinical investigations were searched on PubMed from the first study dated 1993 until May 2021 (date of submission of the manuscript). Study Selection: Studies were included that met the following criteria: (1) participants with cancer; (2) outcome results expressed in relation to the presence of a p53 antibody; (3) a primary outcome (disease-free survival, overall survival or progression-free survival) expressed as hazard ratio (HR). The following exclusion criteria were used: (1) insufficient data available to evaluate outcomes; (2) animal studies; (3) studies with less than 10 participants. As a result, 12 studies were included in the analysis. Data Extraction and Synthesis: PRISMA guidelines were used for abstracting and assessing data quality and validity by three independent observers. The summary estimates were generated using a fixed-effect model (Mantel–Haenszel method) or a random-effect model (DerSimonian–Laird method), depending on the absence or presence of heterogeneity (I2). Main Outcome(s) and Measure(s): The primary study outcome was to determine the prognostic value of p53 Abs from a large population of patients with solid tumors, as determined before data collection. Results: In total, 12 clinical studies involving 2094 patients were included in the meta-analysis, and it was determined that p53 Abs expression in the serum significantly correlated with poorer survival outcomes of cancer patients (95% CI 1.48 [1.24, 1.77]; p < 0.00001). Conclusions and Relevance: This is the first meta-analysis proving the diagnostic utility of p53-Abs for cancer patients in predicting poorer outcomes. The serum-p53 value (s-p53-value) may be useful for future theranostics.
Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon–Halogen Bonds
Authors: Menant Sébastien , Guégan Frédéric , Tognetti Vincent , Merzoud Lynda , Joubert Laurent , Chermette Henry , Morell Christophe
Published: October 2021

Electronic effects (inductive and mesomeric) are of fundamental importance to understand the reactivity and selectivity of a molecule. In this article, polarisation temperature is used as a principal index to describe how electronic effects propagate in halogeno-alkanes and halogeno-alkenes. It is found that as chain length increases, polarisation temperature decreases. As expected, polarisation is much larger for alkenes than for alkanes. Finally, the polarisation mode of the carbon–fluorine bond is found to be quite different and might explain the unusual reactivity of fluoride compounds.
Characteristic-Aroma-Component-Based Evaluation and Classification of Strawberry Varieties by Aroma Type
Authors: Sheng Lixia , Ni Yinan , Wang Jianwen , Chen Yue , Gao Hongsheng
Published: October 2021

The unique fruity aroma of strawberries, a popular fruit of high economic value, is closely related to all the volatile organic compounds (VOCs) contained within them. Despite extensive studies on the identification of VOCs in strawberries, systematic studies on fruit-aroma-related VOCs are few, resulting in a lack of effective standards for accurately distinguishing aroma types. In the present study, solid-phase micro extraction and gas chromatography–mass spectrometry were used to analyze and identify VOCs in the ripe fruit of each of the 16 strawberry varieties at home and abroad and to explore their characteristic aroma components and the classification of such varieties by aroma type. The results suggested remarkable variations in the types and contents of VOCs in different strawberry varieties, of which esters were dominant. The principal volatile components, consisting of four esters, three alcohols, one aldehyde, and one ketone, in 16 strawberry varieties were detected based on the absolute and relative contents of VOCs in the fruit. The characteristic aroma components in strawberries, containing nine esters, six aldehydes, and one alcohol, were determined based on the aroma values of different VOCs, and the characteristic aroma components were divided into five types further based on aroma descriptions. Sixteen strawberry varieties were finally divided into four aroma types, namely, peachy, pineapple, fruity, and floral, based on the contributions of different types. The results provided a basis and standard for classifying strawberries by aroma type, studying the hereditary regularity of the fruity aroma of strawberries, and improving aroma quality.
A Promiscuous Halogenase for the Derivatization of Flavonoids
Authors: Kolling Dominik , Stierhof Marc , Lasch Constanze , Myronovskyi Maksym , Luzhetskyy Andriy
Published: October 2021

Halogenation often improves the bioactive properties of natural products and is used in pharmaceutical research for the generation of new potential drug leads. High regio- and stereospecificity, simple reaction conditions and straightforward downstream processing are the main advantages of halogenation using enzymatic biocatalysts compared to chemical synthetic approaches. The identification of new promiscuous halogenases for the modification of various natural products is of great interest in modern drug discovery. In this paper, we report the identification of a new promiscuous FAD-dependent halogenase, DklH, from Frankia alni ACN14a. The identified halogenase readily modifies various flavonoid compounds, including those with well-studied biological activities. This halogenase has been demonstrated to modify not only flavones and isoflavones, but also flavonols, flavanones and flavanonols. The structural requirements for DklH substrate recognition were determined using a feeding approach. The homology model of DklH and the mechanism of substrate recognition are also proposed in this paper.
Ultrahigh Spin Filter Efficiency, Giant Magnetoresistance and Large Spin Seebeck Coefficient in Monolayer and Bilayer Co-/Fe-/Cu-Phthalocyanine Molecular Devices
Authors: Liu Jianhua , Luo Kun , Chang Hudong , Sun Bing , Wu Zhenhua
Published: October 2021

The spin related electrical and thermoelectric properties of monolayer and bilayer MPc (M = Co, Fe, Cu) molecular devices in a parallel spin configuration (PC) and an anti-parallel spin configuration (APC) between the V-shaped zigzag-edged graphene nanoribbon electrodes and the center bilayer MPc molecules are investigated by combining the density functional theory and non-equilibrium Green’s function approaches. The results show that there is an ultrahigh spin filter efficiency exceeding 99.99995% and an ultra-large total conductance of 0.49996G0 for FePc-CoPc molecular devices in the PC and a nearly pure charge current at high temperature in the APC and a giant MR ratio exceeding 9.87 × 106% at a zero bias. In addition, there are pure spin currents for CuPc and FePc molecular devices in the PC, and an almost pure spin current for FePc molecular devices in the APC at some temperature. Meanwhile, there is a high SFE of about 99.99585% in the PC and a reserved SFE of about −19.533% in the APC and a maximum MR ratio of about 3.69 × 108% for the FePc molecular device. Our results predict that the monolayer and bilayer MPc (M = Co, Fe, Cu) molecular devices possess large advantages in designing high-performance electrical and spintronic molecular devices.
Nest-Like MnO2 Nanowire/Hierarchical Porous Carbon Composite for High-Performance Supercapacitor from Oily Sludge
Authors: Li Xiaoyu , Han Dong , Gong Zhiqiang , Wang Zhenbo
Published: October 2021

In the aim to go beyond the performance tradeoffs of classic electric double-layer capacitance and pseudo-capacitance, composites made out of carbon and pseudo-capacitive materials have been a hot-spot strategy. In this paper, a nest-like MnO2 nanowire/hierarchical porous carbon (HPC) composite (MPC) was successfully fabricated by a controllable in situ chemical co-precipitation method from oily sludge waste. Due to the advantages of high surface area and fast charge transfer for HPC as well as the large pseudo-capacitance for MnO2 nanowires, the as-prepared MPC has good capacitance performance with a specific capacitance of 437.9 F g−1 at 0.5 A g−1, favorable rate capability of 79.2% retention at 20 A g−1, and long-term cycle stability of 78.5% retention after 5000 cycles at 5 A g−1. Meanwhile, an asymmetric supercapacitor (ASC) was assembled using MPC as the cathode while HPC was the anode, which exhibits a superior energy density of 58.67 W h kg−1 at the corresponding power density of 498.8 W kg−1. These extraordinary electrochemical properties highlight the prospect of our waste-derived composites electrode material to replace conventional electrode materials for a high-performance supercapacitor.
3D Hierarchical Polyaniline–Metal Hybrid Nanopillars: Morphological Control and Its Antibacterial Application
Authors: Kim Jueun , Song Younseong , Kim Hogi , Bae Nam-Ho , Lee Tae Jae , Park Yoo Min , Lee Seok Jae , Im Sung Gap , Choi Bong Gill , Lee Kyoung G.
Published: October 2021

Effective and reliable antibacterial surfaces are in high demand in modern society. Although recent works have shown excellent antibacterial performance by combining unique hierarchical nanotopological structures with functional polymer coating, determining the antibacterial performance arising from morphological changes is necessary. In this work, three-dimensional (3D) hierarchical polyaniline–gold (PANI/Au) hybrid nanopillars were successfully fabricated via chemical polymerization (i.e., dilute method). The morphology and structures of the PANI/Au nanopillars were controlled by the reaction time (10 min to 60 h) and the molar concentrations of the monomer (0.01, 0.1, and 1 M aniline), oxidant (0.002, 0.0067, 0.01, and 0.02 M ammonium persulfate), and acid (0.01, 0.1, 1, and 2 M perchloric acid). These complex combinations allow controlling the hierarchical micro- to nanostructure of PANI on a nanopillar array (NPA). Furthermore, the surface of the 3D PANI/Au hierarchical nanostructure can be chemically treated while maintaining the structure using initiated chemical vapor deposition. Moreover, the excellent antibacterial performance of the 3D PANI/Au hierarchical nanostructure (HNS) exceeds 99% after functional polymer coating. The excellent antibacterial performance of the obtained 3D PANI/Au HNS is mainly because of the complex topological and physicochemical surface modification. Thus, these 3D PANI/Au hierarchical nanostructures are promising high-performance antibacterial materials.