bluuebunny/crossref_metadata_2025 huggingface dataset:
Leveraging the 3-Chloro-4-fluorophenyl Motif to Identify Inhibitors of Tyrosinase from Agaricus bisporus
Authors: Mirabile Salvatore , Ielo Laura , Lombardo Lisa , Ricci Federico , Gitto Rosaria , Germanò Maria Paola , Pace Vittorio , De Luca Laura
Published: April 2023

Tyrosinase (EC 1.14.18.1) is implicated in melanin production in various organisms. There is a growing body of evidence suggesting that the overproduction of melanin might be related to several skin pigmentation disorders as well as neurodegenerative processes in Parkinson’s disease. Based on this consideration, the development of tyrosinase inhibitors represents a new challenge to identify new agents in pharmaceutical and cosmetic applications. With the goal of identifying tyrosinase inhibitors from a synthetic source, we employed a cheap and facile preliminary assay using tyrosinase from Agaricus bisporus (AbTYR). We have previously demonstrated that the 4-fluorobenzyl moiety might be effective in interactions with the catalytic site of AbTYR; moreover, the additional chlorine atom exerted beneficial effects in enhancing inhibitory activity. Therefore, we planned the synthesis of new small compounds in which we incorporated the 3-chloro-4-fluorophenyl fragment into distinct chemotypes that revealed the ability to establish profitable contact with the AbTYR catalytic site. Our results confirmed that the presence of this fragment is an important structural feature to improve the AbTYR inhibition in these new chemotypes as well. Furthermore, docking analysis supported the best activity of the selected studied compounds, possessing higher potency when compared with reference compounds.
Endocrine Disruptors in Food, Estrobolome and Breast Cancer
Authors: Filippone Alessio , Rossi Cristina , Rossi Maria Maddalena , Di Micco Annalisa , Maggiore Claudia , Forcina Luana , Natale Maria , Costantini Lara , Merendino Nicolò , Di Leone Alba , Franceschini Gianluca , Masetti Riccardo , Magno Stefano
Published: April 2023

The microbiota is now recognized as one of the major players in human health and diseases, including cancer. Regarding breast cancer (BC), a clear link between microbiota and oncogenesis still needs to be confirmed. Yet, part of the bacterial gene mass inside the gut, constituting the so called “estrobolome”, influences sexual hormonal balance and, since the increased exposure to estrogens is associated with an increased risk, may impact on the onset, progression, and treatment of hormonal dependent cancers (which account for more than 70% of all BCs). The hormonal dependent BCs are also affected by environmental and dietary endocrine disruptors and phytoestrogens which interact with microbiota in a bidirectional way: on the one side disruptors can alter the composition and functions of the estrobolome, ad on the other the gut microbiota influences the metabolism of endocrine active food components. This review highlights the current evidence about the complex interplay between endocrine disruptors, phytoestrogens, microbiome, and BC, within the frames of a new “oncobiotic” perspective.
Two Is Better than One: Successful World-Class Sprinters Compete in Two Disciplines
Authors: Brustio Paolo Riccardo , Rainoldi Alberto , Boccia Gennaro
Published: April 2023

We aimed to quantify the prevalence of track and field sprinters competing at a world-class level in more than one discipline, and we describe the career characteristics of single- and double-discipline athletes in terms of peak performance and the age of peak performance. The career performance of athletes ranked in the top 200 positions of the World Athletics database in the 100 m, 200 m, and 400 m were analyzed, i.e., 5514 career profiles (49.9% female). Using binomial proportion, we calculated how many competed in only one or more than one discipline. We also compared the peak performance and the age of peak performance of athletes who competed in one vs. more than one discipline. Independent of gender, about 50% of the athletes competing in the 100 m and 200 m also competed in the other discipline (i.e., 200 m and 100 m, respectively). Differently, only 20% of the athletes competing in the 400 m also competed in the 200 m. Sprinters competing in the 100–200 m and 200–400 m couples showed better peak performance than the sprinters competing in only one discipline. Many world-class sprinters compete in two disciplines, and the 100–200 m was the most prevalent couple. Our results also suggest that sprinters who compete in two disciplines may be advantaged compared to sprinters who compete in only one event.
Correction: Meier et al. (2022). Examining the Most Relevant Journalism Innovations: A Comparative Analysis of Five European Countries from 2010 to 2020. Journalism and Media 3: 698–714
Authors: Meier Klaus , Schützeneder Jonas , García Avilés José Alberto , Valero-Pastor José María , Kaltenbrunner Andy , Lugschitz Renée , Porlezza Colin , Ferri Giulia , Wyss Vinzenz , Saner Mirco
Published: April 2023

In the original publication [...]
From Knowledge to Wisdom: Looking beyond the Knowledge Hierarchy
Authors: Bratianu Constantin , Bejinaru Ruxandra
Published: April 2023

Although there is a long history of searching for the road from knowledge to wisdom, there is no final and clear result. In fact, there are multiple ways of starting from knowledge and reaching wisdom due to the complexity of the semantic domains of both concepts. In addition, there are different perspectives on interpreting these conceptual maps, ranging from philosophy to psychology or management. We are interested in understanding the connecting ideas between knowledge and wisdom from the management perspective, where decision making is the key driving force for transforming knowledge into efficient actions for creating value for customers through products and services. The well-known knowledge pyramid or wisdom pyramid is a good metaphor to start with in understanding the basic concepts of data, information, knowledge, and wisdom (DIKW) and their transformations. We analyze different interpretations of these four basic concepts and focus on the transition from knowledge to wisdom, looking beyond the DIKW pyramid. Additionally, to get a larger view of the multiple connections between knowledge and wisdom, we perform a bibliometric analysis using VOSviewer as a specialized software tool. The contribution of the present paper comes from this enlarged framework of searching for links between knowledge and wisdom and analyzing their relevance to business management. The results are relevant to anyone who would like to understand how to manage efficiently knowledge in their organizations. We explain the semantic differences in interpreting the concepts of “information” and “knowledge” in philosophy, information science, and knowledge management, which can be useful both in theory and in practice.
Main Flow Migration in the Middle Yangtze River Influenced by Cascade Reservoirs: Characteristics, Controlling Factors, Trends, and Ecological Impact
Authors: Ge Hua , Zhu Lingling
Published: April 2023

The main flow migration in the middle Yangtze River occurs in most river sections and is affected by factors such as incoming water and sediment, riverbed boundaries, and channel shapes, leading to a complex riverbed evolution. Revealing the controlling factors and analyzing the developmental trends are important for addressing the adverse ecological impacts caused by these changes. Based on a large amount of observational data since the impoundment of the Three Gorges Reservoir, the characteristics of the main flow migration in the middle Yangtze River under different flow conditions were analyzed, and its correlation with the nodes and bars at the inlet, the plane shape of the river, and riverbed morphology were determined to identify the key controlling factors. The results showed that it is characterized by the displacement of the main flow zone during the middle-flow period. The key factors controlling the main flow migration include the deflecting action of the nodes and sidebars at the inlet, relaxation of the channel plane shape, and resistance difference caused by the riverbed morphology between the branches. The trend analysis suggests that the main flow migration in the middle Yangtze River may become more frequent after the operation of the cascade reservoirs in the future and may threaten the ecological environment.
Analysis of Farm Household Livelihood Sustainability Based on Improved IPAT Equation: A Case Study of 24 Counties in 3 Cities in the Qin-Ba Mountain Region of Southern Shaanxi
Authors: Shang Haiyang , Hu Yue , Fan Jiaojiao , Song Nini , Su Fang
Published: April 2023

Sustainable livelihoods are those that are able to cope with and recover from stress and shocks, and that maintain or strengthen livelihood capacity and livelihood capital, without damaging the foundations of the natural environment. In this paper, the IPHACT framework was constructed by improving the classic IPAT equation, and the key factors affecting production output and livelihood sustainability, as well as the factor differences among different livelihood strategy groups, were analyzed. We took 24 counties and districts of Ankang, Shangluo and Hanzhong in the Qin-Ba Mountain area of southern Shaanxi Province as examples, using a survey of farmers’ livelihood status and livelihood capital accounting. The results show that the amplification effect of population size on the environmental impact of livelihood output is widespread and generally significant. Both livelihood sustainability and livelihood benefit passed the significance test in the multi-model analysis, and the negative effect of livelihood sustainability proved the negative correlation between the environmental impact of livelihood output and livelihood sustainability, that is, the higher the livelihood output dependent on natural capital, the greater the environmental impact. The livelihood transformation of Hanzhong City is developing in the direction of reducing the environmental impact of livelihood output, and farmers have successfully practiced green livelihood transformation by changing their livelihood strategies. On the road to common prosperity, livelihood demand will inevitably increase. Reducing the dependence on natural capital is the key to effectively enhancing the sustainability of livelihoods.
Truth, Ethics and Legal Thought—Some Lessons from Dworkin’s Justice for Hedgehogs and Its Critique
Authors: Mahlmann Matthias
Published: April 2023

This paper reconstructs some of the core elements of Dworkin’s epistemology of ethics. To understand why, for Dworkin, questions of legal philosophy lead to moral epistemology, the main points of Dworkin’s last restatement of his theoretical account of law are outlined. Against this background, the paper critically assesses the merits of Dworkin’s criticism of current prominent forms of skepticism and what it teaches us about the epistemology of legal thought.
Antimicrobial Activity and Cytotoxicity of Prepolymer Allyl 2-cyanoacrylate and 2-Octyl Cyanoacrylate Mixture Adhesives for Topical Wound Closure
Authors: Oh Soyeon , Hahm Dae-Hyun , Choi Yong-Bok
Published: April 2023

The development of a new skin adhesive that can be used inside and outside the body, which prevents infection and has fewer scars and less side effects, is currently attracting attention from the scientific community. To improve biocompatibility, prepolymer allyl 2-cyanoacrylate (PAC) and 2-octyl cyanoacrylate (OC) were mixed in various proportions and tested for their therapeutic potential as skin adhesives. A series of skin adhesive samples prepared by mixing PAC, OC, and additives with % (w/w) ratios of 100:0:0, 0:100:0, 70:0:30, 40:30:30, and 30:40:30 were tested to determine their antimicrobial activity, cell cytotoxicity, and formaldehyde release. The additives include myristic acid and dibutyl sebacate as plasticizers and butylated hydroxyanisole as an antioxidant. It was observed that the samples containing 70% PAC (PAC7) or 40% PAC (PAC4) with 30% additives had the highest antimicrobial activities against various microbial cells and no cytotoxicity regarding in vitro fibroblast cell growth. In addition, these formulations of adhesive samples released formaldehyde within the levels permitted for medical devices. Taken together, the mixture of PAC and OC as a topical skin adhesive for wound closure was found to be biocompatible, mechanically stable and safe, as well as effective for wound healing.
The Optimized Homogenization Process of Cast 7Mo Super Austenitic Stainless Steel
Authors: Zhang Runze , He Jinshan , Xu Shiguang , Zhang Fucheng , Wang Xitao
Published: April 2023

Super austenitic stainless steels are expected to replace expensive alloys in harsh environments due to their superior corrosion resistance and mechanical properties. However, the ultra-high alloy contents drive serious segregation in cast steels, where the σ phase is difficult to eliminate. In this study, the microstructural evolution of 7Mo super austenitic stainless steels under different homogenization methods was investigated. The results showed that after isothermal treatment for 30 h at 1250 °C, the σ phase in steels dissolved, while the remelting morphologies appeared at the phase boundaries. Therefore, the stepped solution heat treatment was further conducted to optimize the homogenized microstructure. The samples were heated up to 1220 °C, 1235 °C and 1250 °C with a slow heating rate, and held at these temperatures for 2 h, respectively. The elemental segregation was greatly reduced without incipient remelting and the σ phase was eventually reduced to less than 0.6%. A prolonged incubation below the dissolution temperature will lead to a spontaneous compositional adjustment of the eutectic σ phase, resulting in uphill diffusion of Cr and Mn, and reducing the homogenization efficiency of ISHT, which is avoided by SSHT. The hardness reduced from 228~236 Hv to 220~232 Hv by adopting the cooling process of “furnace cooling + water quench”. In addition, the study noticed that increasing the Ce content or decreasing the Mn content can both refine the homogenized grain size and accelerate diffusion processes. This study provides a theoretical and experimental basis for the process and composition optimization of super austenitic stainless steels.
Nanostructured Thick Electrode Strategies toward Enhanced Electrode–Electrolyte Interfaces
Authors: Pokhriyal Anukriti , González-Gil Rosa M. , Bengoa Leandro N. , Gómez-Romero Pedro
Published: April 2023

This article addresses the issue of bulk electrode design and the factors limiting the performance of thick electrodes. Indeed, one of the challenges for achieving improved performance in electrochemical energy storage devices (batteries or supercapacitors) is the maximization of the ratio between active and non-active components while maintaining ionic and electronic conductivity of the assembly. In this study, we developed and compared supercapacitor thick electrodes using commercially available carbons and utilising conventional, easily scalable methods such as spray coating and freeze-casting. We also compared different binders and conductive carbons to develop thick electrodes and analysed factors that determine the performance of such thick electrodes, such as porosity and tortuosity. The spray-coated electrodes showed high areal capacitances of 1428 mF cm−2 at 0.3 mm thickness and 2459 F cm−2 at 0.6 mm thickness.
Numerical Simulations of the Low-Velocity Impact Response of Semicylindrical Woven Composite Shells
Authors: Ferreira Luis M. , Coelho Carlos A. C. P. , Reis Paulo N. B.
Published: April 2023

This paper presents an efficient and reliable approach to study the low-velocity impact response of woven composite shells using 3D finite element models that account for the physical intralaminar and interlaminar progressive damage. The authors’ previous work on the experimental assessment of the effect of thickness on the impact response of semicylindrical composite laminated shells served as the basis for this paper. Therefore, the finite element models were put to the test in comparison to the experimental findings. A good agreement was obtained between the numerical predictions and experimental data for the load and energy histories as well as for the maximum impact load, maximum displacement, and contact time. The use of the mass-scaling technique was successfully implemented, reducing considerably the computing cost of the solutions. The maximum load, maximum displacement, and contact time are negligibly affected by the choice of finite element mesh discretization. However, it has an impact on the initiation and progression of interlaminar damage. Therefore, to accurately compute delamination, its correct definition is of upmost importance. The validation of these finite element models opens the possibility for further numerical studies on of woven composite shells and enables shortening the time and expenses associated with the experimental testing.
Experimental Study on Repairing the Mechanical Characteristics of Oil-Contaminated Silty Clay in Ancient Dike with Modified Lime Mortar
Authors: Zhou Jianfen , Dong Zhiyong , Dong Yinzhen , He Xiaohui , Wu Hongmei , Chen Bin , Mao Qian
Published: April 2023

Flood-controlled ancient dikes play a significant role in flood control and have received widespread attention as historical and cultural symbols. Flood-controlled ancient dikes often undergo disasters, and research on their repair is receiving increasing attention from experts and scholars. This article studies the control of seepage and bank slope instability in flood-controlled ancient dikes. Starting from the repair of ancient dike materials, three types of work are carried out: a test of soil’s mechanical properties, finite element numerical simulation, and repair technology research. The research results show that the soil of the ancient dike site has hardened after being contaminated with waste oil from catering. The strength index of the ancient dike soil decreases and shows brittleness when the water content is 15% and the oil content exceeds 6%. The strength index and permeability coefficient of oil-contaminated soil improved using modified lime mortar (MLM), which was achieved using the method of MLM to repair oil contaminated soil. When the MLM content was 10% and the oil content was 6%, the friction angle of the soil sample reached its maximum value. When the MLM content was the same, the higher the density of the soil sample, the greater the friction angle and cohesion and the smaller the permeability coefficient. Establishing a finite element numerical model, through comparative analysis, it was found that after MLM remediation of oil-contaminated soil, the extreme hydraulic gradient of the ancient dike decreased by 31.3%, and the extreme safety factor of the bank slope stability increased by 31.2%. MLM pressure grouting technology was used to improve the soil during the remediation of contaminated soil at the ancient dike site. Through on-site drilling inspection, the effective diffusion radius of MLM grouting was obtained, and the plane layout and grouting depth of MLM pressure grouting were determined. The on-site water injection permeability test showed that using MLM pressure grouting technology can effectively repair oil-contaminated soil in the ancient dike while reducing the permeability coefficient by 8–15%.
Flexural Properties of Lattices Fabricated with Planar and Curved Layered Fused Filament Fabrication
Authors: Pérez-Castillo José Luis , Mora Angel , Perez-Santiago Rogelio , Roman-Flores Armando , Ahmad Rafiq , Cuan-Urquizo Enrique
Published: April 2023

The use of curved layers in fused filament fabrication could lead to various advantages in surface finishing and mechanical properties. Here, the influence of three different structural and manufacturing parameters (volume fraction, raster arrangement, and the use of curved or planar layers) on the mechanical properties of lattice structures under three-point bending is studied. Two different raster arrangements were considered, i.e., those with rasters at planes parallel to the principal axes of the samples and those diagonally arranged, all at four different volume fractions. All different samples were additively manufactured using planar and curved layers. Samples were further dimensionally inspected to refine the computational models before their analysis via finite element simulations. The linear elastic region of the load-displacement curves was further analyzed numerically via finite element models. Predictions with finite element models resulted in good agreement with errors below 10%. Samples with diagonal rasters were 70% softer than those parallel to the principal axes.
Diversity of Iron Oxides: Mechanisms of Formation, Physical Properties and Applications
Authors: Gareev Kamil G.
Published: April 2023

Iron oxide compounds have naturally formed during the whole of Earth’s history. Synthetic compositions with iron oxides are produced with the use of various techniques and widely used for scientific and applied purposes. This review considers an attempt to classify all the information on different iron oxide compound formation mechanisms and intended applications in biomedicine, catalysis, waste remediation, geochemistry, etc. All the literature references analyzed were divided into several groups by their number of included iron oxide compounds: compositions containing only one compound (e.g., magnetite or wüstite), including various polymorphs of iron(III) oxide (α-, β-, γ-, ε-, ζ-, δ-Fe2O3); compositions with two different distinguishable iron oxide phases (e.g., maghemite and hematite); compositions containing non-crystalline phases (amorphous iron oxide or atomic clusters); and compositions with mixed iron oxide phases (indistinguishable separate iron oxide phases). Diagrams on the distribution of the literature references between various iron oxide compounds and between various applications were built. Finally, the outlook on the perspectives of further iron oxide studies is provided.
Gaussian Weighted Eye State Determination for Driving Fatigue Detection
Authors: Xiang Yunjie , Hu Rong , Xu Yong , Hsu Chih-Yu , Du Congliu
Published: April 2023

Fatigue is a significant cause of traffic accidents. Developing a method for determining driver fatigue level by the state of the driver’s eye is a problem that requires a solution, especially when the driver is wearing a mask. Based on previous work, this paper proposes an improved DeepLabv3+ network architecture (IDLN) to detect eye segmentation. A Gaussian-weighted Eye State Fatigue Determination method (GESFD) was designed based on eye pixel distribution. An EFSD (Eye-based Fatigue State Dataset) was constructed to verify the effectiveness of this algorithm. The experimental results showed that the method can detect a fatigue state at 33.5 frames-per-second (FPS), with an accuracy of 94.4%. When this method is compared to other state-of-the-art methods using the YawDD dataset, the accuracy rate is improved from 93% to 97.5%. We also performed separate validations on natural light and infrared face image datasets; these validations revealed the superior performance of our method during both day and night conditions.
The Application of Symbolic Regression on Identifying Implied Volatility Surface
Authors: Luo Jiayi , Yu Cindy Long
Published: April 2023

One important parameter in the Black–Scholes option pricing model is the implied volatility. Implied volatility surface (IVS) is an important concept in finance that describes the variation of implied volatility across option strike price and time to maturity. Over the last few decades, economists and financialists have long tried to exploit the predictability in the IVS using various parametric models, which require deep understanding of financial practices in the area. In this paper, we explore how a data-driven machine learning method, symbolic regression, performs in identifying the implied volatility surface even without deep financial knowledge. Two different approaches of symbolic regression are explored through a simulation study and an empirical study using a large panel of option data in the United States options market.
Neuromuscular Ultrasound in Intensive Care Unit-Acquired Weakness: Current State and Future Directions
Authors: Klawitter Felix , Walter Uwe , Axer Hubertus , Patejdl Robert , Ehler Johannes
Published: April 2023

Intensive care unit-acquired weakness (ICUAW) is one of the most common causes of muscle atrophy and functional disability in critically ill intensive care patients. Clinical examination, manual muscle strength testing and monitoring are frequently hampered by sedation, delirium and cognitive impairment. Many different attempts have been made to evaluate alternative compliance-independent methods, such as muscle biopsies, nerve conduction studies, electromyography and serum biomarkers. However, they are invasive, time-consuming and often require special expertise to perform, making them vastly impractical for daily intensive care medicine. Ultrasound is a broadly accepted, non-invasive, bedside-accessible diagnostic tool and well established in various clinical applications. Hereby, neuromuscular ultrasound (NMUS), in particular, has been proven to be of significant diagnostic value in many different neuromuscular diseases. In ICUAW, NMUS has been shown to detect and monitor alterations of muscles and nerves, and might help to predict patient outcome. This narrative review is focused on the recent scientific literature investigating NMUS in ICUAW and highlights the current state and future opportunities of this promising diagnostic tool.
Evaluation of Surgical Indications for Full Endoscopic Discectomy at Lumbosacral Disc Levels Using Three-Dimensional Magnetic Resonance/Computed Tomography Fusion Images Created with Artificial Intelligence
Authors: Yamada Katsuhisa , Nagahama Ken , Abe Yuichiro , Hyugaji Yoshinori , Ukeba Daisuke , Endo Tsutomu , Ohnishi Takashi , Ura Katsuro , Sudo Hideki , Iwasaki Norimasa , Takahata Masahiko
Published: April 2023

Background and Objectives: Although full endoscopic lumbar discectomy with the transforaminal approach (FED-TF) is a minimally invasive spinal surgery for lumbar disc herniation, the lumbosacral levels present anatomical challenges when performing FED-TF surgery due to the presence of the iliac bone. Materials and Methods: In this study, we simulated whether FED-TF surgery could be safely performed on a total of 52 consecutive cases with L5–S1 or L5–L6 disc herniation using fused three-dimensional (3D) images of the lumbar nerve root on magnetic resonance imaging (MRI) created with artificial intelligence and of the lumbosacral spine and iliac on computed tomography (CT) images. Results: Thirteen of the fifty-two cases were deemed operable according to simulated FED-TF surgery without foraminoplasty using the 3D MRI/CT fusion images. All 13 cases underwent FED-TF surgery without neurological complications, and their clinical symptoms significantly improved. Conclusions: Three-dimensional simulation may allow for the assessment from multiple angles of the endoscope entry and path, as well as the insertion angle. FED-TF surgery simulation using 3D MRI/CT fusion images could be useful in determining the indications for full endoscopic surgery for lumbosacral disc herniation.
4H-SiC LDMOS Integrating a Trench MOS Channel Diode for Improved Reverse Recovery Performance
Authors: Liu Yanjuan , Jia Dezhen , Fang Junpeng
Published: April 2023

In this paper, a 4H-SiC lateral gate MOSFET incorporating a trench MOS channel diode at the source side is explored to improve the reverse recovery characteristics. In addition, a 2D numerical simulator (ATLAS) is used to investigate the electrical characteristics of the devices. The investigational results have demonstrated that the peak reverse recovery current is reduced by 63.5%, the reverse recovery charge is reduced by 24.5%, and the reverse recovery energy loss is decreased by 25.8%, with extra complexity in the fabrication process.
Label-Free Cyanobacteria Quantification Using a Microflow Cytometry Platform for Early Warning Detection and Characterization of Hazardous Cyanobacteria Blooms
Authors: Zhang Yushan , Escobar Andres , Guo Tianyi , Xu Chang-Qing
Published: April 2023

The eutrophication of aquatic ecosystems caused by rapid human urbanization has led to an increased production of potentially hazardous bacterial populations, known as blooms. One of the most notorious forms of these aquatic blooms are cyanobacteria, which in sufficiently large quantities can pose a hazard to human health through ingestion or prolonged exposure. Currently, one of the greatest difficulties in regulating and monitoring these potential hazards is the early detection of cyanobacterial blooms, in real time. Therefore, this paper presents an integrated microflow cytometry platform for label-free phycocyanin fluorescence detection, which can be used for the rapid quantification of low-level cyanobacteria and provide early warning alerts for potential harmful cyanobacterial blooms. An automated cyanobacterial concentration and recovery system (ACCRS) was developed and optimized to reduce the assay volume, from 1000 mL to 1 mL, to act as a pre-concentrator and subsequently enhance the detection limit. The microflow cytometry platform utilizes an on-chip laser-facilitated detection to measure the in vivo fluorescence emitted from each individual cyanobacterial cell, as opposed to measuring overall fluorescence of the whole sample, potentially decreasing the detection limit. By applying transit time and amplitude thresholds, the proposed cyanobacteria detection method was verified by the traditional cell counting technique using a hemocytometer with an R2 value of 0.993. It was shown that the limit of quantification of this microflow cytometry platform can be as low as 5 cells/mL for Microcystis aeruginosa, 400-fold lower than the Alert Level 1 (2000 cells/mL) set by the World Health Organization (WHO). Furthermore, the decreased detection limit may facilitate the future characterization of cyanobacterial bloom formation to better provide authorities with ample time to take the appropriate actions to mitigate human risk from these potentially hazardous blooms.
Structural Analysis of Mo Thin Films on Sapphire Substrates for Epitaxial Growth of AlN
Authors: Kim Jihong , Kim Youngil , Hong Sung-Min
Published: April 2023

Aluminum nitride (AlN) thin film/molybdenum (Mo) electrode structures are typically required in microelectromechanical system applications. However, the growth of highly crystalline and c-axis-oriented AlN thin films on Mo electrodes remains challenging. In this study, we demonstrate the epitaxial growth of AlN thin films on Mo electrode/sapphire (0001) substrates and examine the structural characteristics of Mo thin films to determine the reason contributing to the epitaxial growth of AlN thin films on Mo thin films formed on sapphire. Two differently oriented crystals are obtained from Mo thin films grown on sapphire substrates: (110)- and (111)-oriented crystals. The dominant (111)-oriented crystals are single-domain, and the recessive (110)-oriented crystals comprise three in-plane domains rotated by 120° with respect to each other. The highly ordered Mo thin films formed on sapphire substrates serve as templates for the epitaxial growth by transferring the crystallographic information of the sapphire substrates to the AlN thin films. Consequently, the out-of-plane and in-plane orientation relationships among the AlN thin films, Mo thin films, and sapphire substrates are successfully defined.
Development and Validation of an ANN-Based Approach for Temperature-Dependent Equivalent Circuit Modeling of SAW Resonators
Authors: Radojković Miloš , Gugliandolo Giovanni , Latino Mariangela , Marinković Zlatica , Crupi Giovanni , Donato Nicola
Published: April 2023

In this paper, a novel approach is proposed for modeling the temperature-dependent behavior of a surface acoustic wave (SAW) resonator, by using a combination of a lumped-element equivalent circuit model and artificial neural networks (ANNs). More specifically, the temperature dependence of the equivalent circuit parameters/elements (ECPs) is modeled using ANNs, making the equivalent circuit model temperature-dependent. The developed model is validated by using scattering parameter measurements performed on a SAW device with a nominal resonant frequency of 423.22 MHz and under different temperature conditions (i.e., from 0 °C to 100 °C). The extracted ANN-based model can be used for simulation of the SAW resonator RF characteristics in the considered temperature range without the need for further measurements or equivalent circuit extraction procedures. The accuracy of the developed ANN-based model is comparable to that of the original equivalent circuit model.
Autohydrolysis Application on Vine Shoots and Grape Stalks to Obtain Extracts Enriched in Xylo-Oligosaccharides and Phenolic Compounds
Authors: Difonzo Graziana , Troilo Marica , Casiello Michele , D’Accolti Lucia , Caponio Francesco
Published: April 2023

Agronomic practices and the winemaking process lead to the production of considerable quantities of waste and by-products. These are often considered waste with negative effects on environmental sustainability. However, vine shoots and grape stalks can be reused, representing a potential source of xylo-oligosaccharides and polyphenols. In this context, the purpose of this work was to obtain enriched extracts using three different autohydrolysis treatments with (i) H2O, (ii) H2O:EtOH, and (iii) H2O:Amberlyst. The obtained extracts were characterized by their xylo-oligosaccharide and polyphenol profiles using LC-MS techniques. The use of ethanol during autohydrolysis allowed for greater extraction of xylan-class compounds, especially in vine shoot samples, while an increase in antioxidant activity (128.04 and 425.66 µmol TE/g for ABTS and DPPH, respectively) and in total phenol content (90.92 mg GAE/g) was obtained for grape stalks.
Stability Analysis of the Asiatic Acid-COX-2 Complex Using 100 ns Molecular Dynamic Simulations and Its Selectivity against COX-2 as a Potential Anti-Inflammatory Candidate
Authors: Musfiroh Ida , Kartasasmita Rahmana E. , Ibrahim Slamet , Muchtaridi Muchtaridi , Hidayat Syahrul , Ikram Nur Kusaira Khairul
Published: April 2023

Asiatic acid, a triterpenoid compound, has been shown to have anti-inflammatory activity through the inhibition of the formation of cyclooxygenase-2 (COX-2) in vitro and in vivo. This study was conducted to determine the binding stability and the inhibitory potential of asiatic acid as an anti-inflammatory candidate. The study involved in vitro testing utilizing a colorimetric kit as well as in silico testing for the pharmacophore modeling and molecular dynamic (MD) simulation of asiatic acid against COX-2 (PDB ID: 3NT1). The MD simulations showed a stable binding of asiatic acid to COX-2 and an RMSD range of 1–1.5 Å with fluctuations at the residues of Phe41, Leu42, Ile45, Arg44, Asp367, Val550, Glu366, His246, and Gly227. The total binding energy of the asiatic acid–COX-2 complex is −7.371 kcal/mol. The anti-inflammatory activity of the asiatic acid inhibition of COX-2 was detected at IC50 values of 120.17 µM. Based on pharmacophore modeling, we discovered that carboxylate and hydroxyl are the two main functional groups that act as hydrogen bond donors and acceptors interacting with the COX-2 enzyme. From the results, it is evident that asiatic acid is a potential anti-inflammatory candidate with high inhibitory activity in relation to the COX-2 enzyme.
The Mosquito Larvicidal Activity of Lignans from Branches of Cinnamomum camphora chvar. Borneol
Authors: Xu Zhiyong , Chen Junhui , Shang Ruifeng , Yang Fan , Xie Chuanqi , Liu Yunfei , Wen Xuefang , Fu Jianping , Xiong Wei , Wu Lei
Published: April 2023

The chemical investigation of branches of Cinnamomum camphora chvar. Borneol guided by mosquito larvicidal activity led to the isolation of fourteen known lignans (1–14). Their structures were elucidated unambiguously based on comprehensive spectroscopic analysis and comparison with the literature data. This is the first report of these compounds being isolated from branches of Cinnamomum camphora chvar. Borneol. Compounds 3–5 and 8–14 were isolated from this plant for the first time. All compounds isolated were subjected to anti-inflammatory, mosquito larvicidal activity and cytotoxic activity evaluation. Compounds (1–14) showed significant mosquito larvicidal activity against Culex pipiens quinquefasciatus with lethal mortality in 50% (LC50), with values ranging from 0.009 to 0.24 μg/mL. Among them, furofuran lignans(1–8) exhibited potent mosquito larvicidal activity against Cx. p. quinquefasciatus, with LC50 values of 0.009–0.021 μg/mL. From the perspective of a structure–activity relationship, compounds with a dioxolane group showed high mosquito larvicidal activity and have potential to be developed into a mosquitocide.
Palladium-Catalyzed Synthesis of Cyclopropylthiophenes and Their Derivatization
Authors: Paškevičius Tomas , Lapinskaitė Ringailė , Stončius Sigitas , Sadzevičienė Rita , Judžentienė Asta , Labanauskas Linas
Published: April 2023

The cyclopropylthiophene moiety has attracted the attention of the scientific community for its potential pharmaceutical applications. However, synthesis of the compounds containing this framework remains challenging, has rarely been reported and remains unresolved. Here we provide optimized syntheses for cyclopropylthiophenes and their derivatives, containing carbonyl, acetyl, carboxylic acid, methyl carboxylate, nitrile, bromide and sulfonyl chloride moieties.
The Effects of Essential Oils on the Nervous System: A Scoping Review
Authors: Sattayakhom Apsorn , Wichit Sineewanlaya , Koomhin Phanit
Published: April 2023

Essential oils are a mixture of natural aromatic volatile oils extracted from plants. The use of essential oils is ancient, and has prevailed in different cultures around the world, such as those of the Egyptians, Greeks, Persians, and Chinese. Today, essential oils are used in traditional and complimentary medicines, aromatherapy, massage therapies, cosmetics, perfumes and food industries. The screening effect of essential oils has been studied worldwide. They demonstrate a range of biological activities, such as antiparasitic, antifungal, antibacterial, antiviral, antioxidant, anti-inflammatory, anticancer, antiaging, and neuroprotective properties. In this scoping review, we provide a 10-year updated comprehensive assessment of volatile oils and their effects on the nervous system. MEDLINE, Scopus, and Google Scholar were systematically and strategically searched for original studies investigating these effects from 2012 to 2022. Approximately seventy studies were selected as included studies. Among these studies, several outcomes were reported, including antistress, antianxiety, analgesic, cognitive, and autonomic effects. Some essential oils showed developmental benefits, with the potential to induce neurite outgrowth. The neurotransmitter receptor level can also be modified by essential oil application. Physiological and pathophysiological outcome measures were reported. For physiological outcomes, arousal, cognitive performance, circadian eating behavior, emotional modulation, consumer acceptance, preferences, and willingness to buy were investigated. For pathophysiological conditions, pain, depression, anxiety, stress, sleep disorder, mental fatigue, agitated behavior, and quality of life were measured. In conclusion, essential oils showed promising effects on the nervous system, which can be further applied to their use in functional foods, drinks, and alternative therapy.
Stilbenoids and Flavonoids from Cajanus cajan (L.) Millsp. and Their α-Glucosidase Inhibitory Activities
Authors: Zhao Yaxian , Zhao Xinman , Guo Mengjia , Varier Krishnapriya M. , Gajendran Babu , Liu Shaohuan , Tao Ling , Shen Xiangchun , Zhang Nenling
Published: April 2023

Two new stilbenoids, cajanstilbenoid C (1) and cajanstilbenoid D (2), together with eight other known stilbenoids (3-10) and seventeen known flavonoids (11-27), were isolated from the petroleum ether and ethyl acetate portions of the 95% ethanol extract of leaves of Cajanus cajan (L.) Millsp. The planar structures of the new compounds were elucidated by NMR and high-resolution mass spectrometry, and their absolute configurations were determined by comparison of their experimental and calculated electronic circular dichroism (ECD) values. All the compounds were assayed for their inhibitory activities against yeast α-glucosidase. The results demonstrated that compounds 3, 8-9, 11, 13, 19-21, and 24-26 had strong inhibitory activities against α-glucosidase, with compound 11 (IC50 = 0.87 ± 0.05 μM) exhibiting the strongest activity. The structure–activity relationships were preliminarily summarized. Moreover, enzyme kinetics showed that compound 8 was a noncompetitive inhibitor, compounds 11, 24-26 were anticompetitive, and compounds 9 and 13 were mixed-competitive.
A Remarkable Difference in Pharmacokinetics of Fluorinated Versus Iodinated Photosensitizers Derived from Chlorophyll-a and a Direct Correlation between the Tumor Uptake and Anti-Cancer Activity
Authors: Pandurang Taur Prakash , Cacaccio Joseph , Durrani Farukh A. , Dukh Mykhaylo , Alsaleh Ajyal Z. , Sajjad Munawwar , D’Souza Francis , Kumar Dalip , Pandey Ravindra K.
Published: April 2023

To investigate and compare the pharmacokinetic profile and anti-cancer activity of fluorinated and iodinated photosensitizers (PSs), the 3-(1′-(o-fluorobenzyloxy)ethyl pyropheophorbide and the corresponding meta-(m-) and para (p-) fluorinated analogs (methyl esters and carboxylic acids) were synthesized. Replacing iodine with fluorine in PSs did not make any significant difference in fluorescence and singlet oxygen (a key cytotoxic agent) production. The nature of the delivery vehicle and tumor types showed a significant difference in uptake and long-term cure by photodynamic therapy (PDT), especially in the iodinated PS. An unexpected difference in the pharmacokinetic profiles of fluorinated vs. iodinated PSs was observed. At the same imaging parameters, the fluorinated PSs showed maximal tumor uptake at 2 h post injection of the PS, whereas the iodinated PS gave the highest uptake at 24 h post injection. Among all isomers, the m-fluoro PS showed the best in vivo anti-cancer activity in mice bearing U87 (brain) or bladder (UMUC3) tumors. A direct correlation between the tumor uptake and PDT efficacy was observed. The higher tumor uptake of m-fluoro PS at two hours post injection provides a solid rationale for developing the corresponding 18F-agent (half-life 110 min only) for positron imaging tomography (PET) of those cancers (e.g., bladder, prostate, kidney, pancreas, and brain) where 18F-FDG-PET shows limitations.
In/Ga-Doped Si as Anodes for Si–Air Batteries with Restrained Self-Corrosion and Surface Passivation: A First-Principles Study
Authors: Wang Dongxu , Zhao Tingyu , Yu Yingjian
Published: April 2023

Silicon–air batteries (SABs) are attracting considerable attention owing to their high theoretical energy density and superior security. In this study, In and Ga were doped into Si electrodes to optimize the capability of Si-air batteries. Varieties of Si-In/SiO2 and Si-Ga/SiO2 atomic interfaces were built, and their properties were analyzed using density functional theory (DFT). The adsorption energies of the SiO2 passivation layer on In- and Ga-doped silicon electrodes were higher than those on pure Si electrodes. Mulliken population analysis revealed a change in the average number of charge transfers of oxygen atoms at the interface. Furthermore, the local device density of states (LDDOS) of the modified electrodes showed high strength in the interfacial region. Additionally, In and Ga as dopants introduced new energy levels in the Si/SiO2 interface according to the projected local density of states (PLDOS), thus reducing the band gap of the SiO2. Moreover, the I-V curves revealed that doping In and Ga into Si electrodes enhanced the current flow of interface devices. These findings provide a mechanistic explanation for improving the practical efficiency of silicon–air batteries through anode doping and provide insight into the design of Si-based anodes in air batteries.
Hole Transport Materials for Tin-Based Perovskite Solar Cells: Properties, Progress, Prospects
Authors: Chen Xinyao , Cheng Jin , He Linfeng , Zhao Longjiang , Zhang Chunqian , Pang Aiying , Li Junming
Published: April 2023

The power conversion efficiency of modern perovskite solar cells has surpassed that of commercial photovoltaic technology, showing great potential for commercial applications. However, the current high-performance perovskite solar cells all contain toxic lead elements, blocking their progress toward industrialization. Lead-free tin-based perovskite solar cells have attracted tremendous research interest, and more than 14% power conversion efficiency has been achieved. In tin-based perovskite, Sn2+ is easily oxidized to Sn4+ in air. During this process, two additional electrons are introduced to form a heavy p-type doping perovskite layer, necessitating the production of hole transport materials different from that of lead-based perovskite devices or organic solar cells. In this review, for the first time, we summarize the hole transport materials used in the development of tin-based perovskite solar cells, describe the impact of different hole transport materials on the performance of tin-based perovskite solar cell devices, and summarize the recent progress of hole transport materials. Lastly, the development direction of lead-free tin-based perovskite devices in terms of hole transport materials is discussed based on their current development status. This comprehensive review contributes to the development of efficient, stable, and environmentally friendly tin-based perovskite devices and provides guidance for the hole transport layer material design.
Antimicrobial Diterpenes from Rough Goldenrod (Solidago rugosa Mill.)
Authors: Baglyas Márton , Ott Péter G. , Schwarczinger Ildikó , Nagy Judit Kolozsváriné , Darcsi András , Bakonyi József , Móricz Ágnes M.
Published: April 2023

Solidago rugosa is one of the goldenrod species native to North America but has sporadically naturalized as an alien plant in Europe. The investigation of the root and leaf ethanol extracts of the plant using a bioassay-guided process with an anti-Bacillus assay resulted in the isolation of two antimicrobial components. Structure elucidation was performed based on high-resolution tandem mass spectrometric and one- and two-dimensional NMR spectroscopic analyses that revealed (–)-hardwickiic acid (Compound 1) and (–)-abietic acid (Compound 2). The isolates were evaluated for their antimicrobial properties against several plant pathogenic bacterial and fungal strains. Both compounds demonstrated an antibacterial effect, especially against Gram-positive bacterial strains (Bacillus spizizenii, Clavibacter michiganensis subsp. michiganensis, and Curtobacterium flaccumfaciens pv. flaccumfaciens) with half maximal inhibitory concentration (IC50) between 1 and 5.1 µg/mL (5–20 times higher than that of the positive control gentamicin). In the used concentrations, minimal bactericidal concentration (MBC) was reached only against the non-pathogen B. spizizenii. Besides their activity against Fusarium avenaceum, the highest antifungal activity was observed for Compound 1 against Bipolaris sorokiniana with an IC50 of 3.8 µg/mL.