bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the Potential for Territorial Ecological Restoration: A Case Study of Zhaoping County, China
Authors: Liu Min , Liu Xinwei , Huai Heju , Tang Xiumei
Published: October 2023

Territorial ecological restoration (TER) is a critical step for promoting the development of an ecological civilization, as well as a significant strategic task relating to national ecological security and the well-being of a population. However, calculating the ecological restoration potential (ERP) is a key challenge in TER. Using Zhaoping County as an example, this study calculated the ecological restoration natural potential (ERNP), including the vegetation coverage potential, water conservation potential, windbreak and sand fixation potential, and biodiversity potential, and proposed an ERP calculation method based on the correction of ERNP with an ecological security pattern (ESP) and social support (SS). The findings revealed several key points. First, using the similarity habitat method to calculate ERNP highlighted significant disparities in the vegetation coverage, water conservation, windbreak and sand fixation, and biodiversity across Zhaoping County. These variations were contrary to regional ecological service functions. Second, overall, the ESP levels in Zhaoping County were high, accounting for about 60.42% of its total area being classified as high or relatively high level, with the towns exhibiting strong SS abilities primarily located in the northern region. Third, the ERP results which are between 0 and 1 indicated that areas with higher potential were mainly found in the west and northeast of Zhaoping, while lower potential areas were concentrated in the northwest and south; of them, the ERP index value in most regions is between 0.2 and 0.3, accounting for about 43.97% of the area. Finally, suggestions for the TER project layout and measures to enhance the ERP were proposed based on these ERP calculations. This study offers new insights into ERP strategies while providing guidance for identifying critical areas requiring restoration.
From Peripheral Structure to Discourse Operator: No Veas
Authors: Fuentes Rodríguez Catalina
Published: October 2023

This work describes the cooptation/grammaticalization process developed by the expression no veas. The hypothesis it defends, endorsed by previous research, considers that in this process, this expression appears in different constructions, originally integrated in the clause or peripheral, and is involved in a process of fixation towards pragmatic markers. The parenthetical distribution is fundamental to this subjectification and constructionalizationss. In some cases, the cooptation process has not ended, and constructions can act as semi-fixed patterns. These constructions provide procedural content but, at the same time, allow lexical choice in part of their structure. In other cases, we are already dealing with fixed markers. The Spanish structure no veas can appear as a free verbal construction (“No veas tanto la televisión” (don’t watch television so much)), as a semi-free intensification construction (“no veas lo enfadado que está” (you wouldn’t believe how angry he is), “está gritando que no veas” (he’s shouting like you wouldn’t believe)), or as a discourse operator (“El campo está lleno, no veas” (the stadium’s full, unbelievable)). In the latter case, the structure appears peripheral and displays a high degree of mobility (it could be inserted at the beginning of the utterance or appear in an intermediate position, not just at the end) and functions as a modal operator of surprise (a mirative) or a comment with intensifying meaning.
The Anticorruption Protocol to the United Nations Convention against Corruption Beneficial Owner Rule
Authors: Yeh Stuart S.
Published: October 2023

To fight corruption, money laundering, and organized crime, a proposed APUNCAC Beneficial Owner Rule would require financial service personnel to obtain and submit certification by the true beneficial owner when covered funds are transacted in amounts exceeding USD 3000. The strategy would trap front men into false statements, create a transaction-level record of assertions by front men that can be tested by a prosecutor, eliminate loopholes that allow criminals to escape prosecution in offshore havens, not require proof of a predicate crime or the illicit nature of funds, trigger a chain of witness cooperation, fight organized crime using a domino strategy, and be accomplished via a relatively simple change in domestic laws. Analysis suggests (1) the required technology exists; (2) transaction friction would be minimal; and (3) that the implementation of the Rule is feasible and practical, both operationally and from a legal standpoint, suggesting that the proposed Rule offers a promising strategy to fight organized crime.
Brine-Processed Caulerpa lentillifera Macroalgal Stability: Physicochemical, Nutritional and Microbiological Properties
Authors: Pan-utai Wanida , Satmalee Prajongwate , Saah Safiah , Paopun Yupadee , Tamtin Montakan
Published: October 2023

Caulerpa lentillifera is a type of green macroalga that is commonly consumed as fresh seaweed, particularly in Southeast Asia. The effects of different salt types and concentrations on C. lentillifera during brine processing were investigated using table, sea and flower salt at 10–30% levels. The colour and texture of C. lentillifera varied across different treatments. After storage in brine for 12 weeks, lightness (L*) decreased, greenness (a*) decreased and yellowness (b*) increased while firmness increased in all treatments compared to fresh algae. The nutritional composition did not change significantly over time. To ensure the safety and quality of seaweed for consumption, the optimal salt level for brine processing should not exceed 30% table salt. The morphology and elements contained in different types of salt were also observed, and the microbiological safety of seaweed was evaluated. The popularity of Caulerpa macroalgae is rapidly increasing among consumers, leading to a growing demand for ready-to-eat Caulerpa products. However, food safety and security standards must be maintained.
Double J Stents and Reno–Ureteral Lithiasis: Dynamic Changes in Management during the COVID-19 Pandemic
Authors: Militaru Adrian , Bulai Catalin Andrei , Ene Cosmin , Popescu Razvan Ionut , Cozma Cosmin , Mares Cristian , Balacescu Stefan , Moldoveanu Cristian , Georgescu Dragos Adrian , Geavlete Petrisor Aurelian , Geavlete Bogdan Florin
Published: October 2023

Purpose: To provide an evidence-based review of the use of ureteral stents in managing reno–ureteral lithiasis during the COVID-19 pandemic. Materials and Methods: A literature search was conducted between 2020 and 2023 using the PubMed and SCOPUS databases. As a part of the search query, we entered “ureteral stents” OR “double J stent” AND “renal colic” OR “ureteral obstruction” OR “reno-ureteral lithiasis” AND “COVID-19 Pandemic” OR “SARS-CoV-2 infection”. Results: Patients with lithiasis should be categorized into low priority, intermediate priority, high priority, and emergency under the COVID-19 pandemic scenario to manage their delay and save resources, including healthcare professionals, beds, and ventilators. However, immediate interventions are necessary for individuals at risk of life-threatening septic complications. During the COVID-19 pandemic, the feasibility of conducting or resuming elective activity depended on local circumstances, the accessibility of beds and ventilators, and the execution of screening protocols. If lithiasis surgery is delayed, consequences and increased effort will be inevitable. It is possible that teleconsultation could help guide these patients and cut down on unnecessary visits and exposure. Conclusions: COVID-19 has shifted treatment options for urinary stones, with ureteral stents being a safe, efficient, and cost-effective option for managing urolithiasis. Decompression is essential in emergency situations, while ureteral stents reduce the risk of infection and hospital visits.
A Review on Development of Industrial Solid Waste in Tunnel Grouting Materials: Feasibility, Performance, and Prospects
Authors: Jiang Bolin , Wu Mengjun , Wu Shanshan , Zheng Aichen , He Shiyong
Published: October 2023

With rapid infrastructure development worldwide, the generation of industrial solid waste (ISW) has substantially increased, causing resource wastage and environmental pollution. Meanwhile, tunnel engineering requires large quantities of grouting material for ground treatment and consolidation. Using ISW as a component in tunnel grouts provides a sustainable solution to both issues. This paper presented a comprehensive review of the recent advancements in tunnel grouting materials using ISW, focusing on their feasibility, mechanical characteristics, and future development directions. Initially, the concept and classification of ISW were introduced, examining its feasibility and advantages as grouting materials in tunnels. Subsequently, various performances of ISW in tunnel grouting materials were summarized to explore the factors influencing mechanical strength, fluidity, durability, and microstructure characteristics. Simultaneously, this review analyzed current research trends and outlines future development directions. Major challenges, including quality assurance, environmental risks, and lack of standardized specifications, are discussed. Future research directions, including multifunctional grouts, integrated waste utilization, and advanced characterization techniques, are suggested to further advance this field. These findings provided useful insights for the continued development of high-performance and environmentally friendly ISW-based grouting materials.
A Phase Field Study of the Influence of External Loading on the Dynamics of Martensitic Phase Transformation
Authors: Liu Genggen , Man Jiao , Yang Bin , Wang Qingtian , Wang Juncheng
Published: October 2023

An elastoplastic phase field model was employed for simulations to investigate the influence of external loading on the martensitic phase transformation kinetics in steel. The phase field model incorporates external loading and plastic deformation. During the simulation process, the authenticity of the phase field model is ensured by introducing the relevant physical parameters and comparing them with experimental data. During the calculations, loads of various magnitudes and loading conditions were considered. An analysis and discussion were conducted concerning the volume fraction and phase transition temperature during the phase transformation process. The simulation results prominently illustrate the preferential orientation of variants under different loading conditions. This model can be applied to the qualitative phase transition evolution of Fe-Ni alloys, and the crystallographic parameters adhere to the volume expansion effect. It is concluded that uniaxial loading promotes martensitic phase transformation, while triaxial compressive loading inhibits it. From a dynamic perspective, it is demonstrated that external uniaxial loading accelerates the kinetics of martensitic phase transformation, with uniaxial compression being more effective in accelerating the phase transformation process than uniaxial tension. When compared to experimental data, the simulation results provide evidence that under the influence of external loading, the martensitic phase transformation is significantly influenced by the applied load, with the impact of external loading being more significant than that of plastic effects.
Martensitic Phase-Transforming Metamaterial: Concept and Model
Authors: Kanegae Sosuke , Okugawa Masayuki , Koizumi Yuichiro
Published: October 2023

We successfully developed a mechanical metamaterial that displays martensitic transformation for the first time. This metamaterial has a bistable structure capable of transitioning between two stable configurations through shear deformation. The outer shape of the unit cell of this structure is a parallelogram, with its upper and lower sides forming the bases of two solid triangles. The vertices from these triangles within the parallelogram are linked by short beams, while the remaining vertices are linked by long beams. The elastic energy of the essential model of the metamaterial was formulated analytically. The energy barrier between these two stable configurations consists of the elastic strain energy due to the tensile deformation of the short beams, the compressive deformation of the long beams, and the bending deformation of the connecting hinges. One example of a novel metamaterial was additively manufactured via the materials extrusion (MEX) process of thermoplastic polyurethane. The metamaterial exhibited deformation behaviors characteristic of martensitic transformations. This mechanical metamaterial has the potential to obtain properties caused by martensitic transformation in actual materials, such as the shape memory effect and superelasticity.
The Effect of Viscous Drag on the Maximum Residual Stresses Achievable in High-Yield-Strength Materials in Laser Shock Processing
Authors: Angulo Ignacio , Warzanskyj Wsewolod , Cordovilla Francisco , Díaz Marcos , Porro Juan Antonio , García-Beltrán Ángel , Ocaña José Luis
Published: October 2023

In this paper, the experimentally observed significant increase in yield stress for strain rates beyond 104 s−1 (viscous regime) is explicitly considered in laser shock processing (LSP) simulations. First, a detailed review of the most common high-strain-rate deformation models is presented, highlighting the expected strain rates in materials subject to LSP for a wide range of treatment conditions. Second, the abrupt yield stress increase presented beyond 104 s−1 is explicitly considered in the material model of a titanium alloy subject to LSP. A combined numerical–analytical approach is used to predict the time evolution of the plastic strain. Finally, extended areas are irradiated covering a squared area of 25 × 25 mm2 for numerical–experimental validation. The in-depth experimental residual stress profiles are obtained by means of the hole drilling method. Near-surface-temperature gradients are explicitly considered in simulations. In summary, the conventionally accepted strain rate range in LSP (106–107 s−1) is challenged in this paper. Results show that the conventional high-strain-rate hardening models widely used in LSP simulations (i.e., Johnson Cook model) clearly overestimate the induced compressive residual stresses. Additionally, pressure decay, whose importance is usually neglected, has been found to play a significant role in the total plastic strain achieved by LSP treatments.
Design and Analysis of an Input–Output Linearization-Based Trajectory Tracking Controller for Skid-Steering Mobile Robots
Authors: Moreno Javier , Slawiñski Emanuel , Chicaiza Fernando A. , Rossomando Francisco G. , Mut Vicente , Morán Marco A.
Published: October 2023

This manuscript presents a control law based on the kinematic control concept and the input–output linearization approach. More specifically, the given approach has the structure of a two-loop controller. A rigorous closed-loop system analysis is presented by using known theory on perturbed systems. By assuming that the desired velocity in the body frame is persistently exciting, the uniform bound of the tracking error in earth coordinates is ensured. A simulation study using practical mobile robot parameters shows the viability of the introduced approach. In addition, two known trajectory tracking controllers are simulated in order to compare the performance of the proposed technique. Better tracking accuracy is obtained with the proposed control approach, even if uncertainties in the knowledge of the friction coefficients are presented.
A Customized ADMM Approach for Large-Scale Nonconvex Semidefinite Programming
Authors: Sun Chuangchuang
Published: October 2023

We investigate a class of challenging general semidefinite programming problems with extra nonconvex constraints such as matrix rank constraints. This problem has extensive applications, including combinatorial graph problems, such as MAX-CUT and community detection, reformulated as quadratic objectives over nonconvex constraints. A customized approach based on the alternating direction method of multipliers (ADMM) is proposed to solve the general large-scale nonconvex semidefinite programming efficiently. We propose two reformulations: one using vector variables and constraints, and the other further reformulating the Burer–Monteiro form. Both formulations admit simple subproblems and can lead to significant improvement in scalability. Despite the nonconvex constraint, we prove that the ADMM iterates converge to a stationary point in both formulations, under mild assumptions. Additionally, recent work suggests that in this matrix form, when the matrix factors are wide enough, the local optimum with high probability is also the global optimum. To demonstrate the scalability of our algorithm, we include results for MAX-CUT, community detection, and image segmentation.
Study of Transversely Isotropic Visco-Beam with Memory-Dependent Derivative
Authors: Singh Kulvinder , Kaur Iqbal , Craciun Eduard-Marius
Published: October 2023

Based on the modified Moore–Gibson–Thompson (MGT) model, transversely isotropic visco-thermoelastic material is investigated for frequency shift and thermoelastic damping. The Green–Naghdi (GN) III theory of thermoelasticity with two temperatures is used to express the equations that govern heat conduction in deformable bodies based on the difference between conductive and dynamic temperature acceleration. A mathematical model for a simply supported scale beam is formed in a closed form using Euler Bernoulli (EB) beam theory. We have figured out the lateral deflection, conductive temperature, frequency shift, and thermoelastic damping. To calculate the numerical values of various physical quantities, a MATLAB program has been developed. Graphical representations of the memory-dependent derivative’s influence have been made.
Novel Fractional Order and Stochastic Formulations for the Precise Prediction of Commercial Photovoltaic Curves
Authors: Omar Othman A. M. , Badr Ahmed O. , Diaaeldin Ibrahim Mohamed
Published: October 2023

To effectively represent photovoltaic (PV) modules while considering their dependency on changing environmental conditions, three novel mathematical and empirical formulations are proposed in this study to model PV curves with minimum effort and short timing. The three approaches rely on distinct mathematical techniques and definitions to formulate PV curves using function representations. We develop our models through fractional derivatives and stochastic white noise. The first empirical model is proposed using a fractional regression tool driven by the Liouville-Caputo fractional derivative and then implemented by the Mittag-Leffler function representation. Further, the fractional-order stochastic ordinary differential equation (ODE) tool is employed to generate two effective generic models. In this work, multiple commercial PV modules are modeled using the proposed fractional and stochastic formulations. Using the experimental data of the studied PV panels at different climatic conditions, we evaluate the proposed models’ accuracy using two effective statistical indices: the root mean squares error (RMSE) and the determination coefficient (R2). Finally, the proposed approaches are compared to several integer-order models in the literature where the proposed models’ precisely follow the real PV curves with a higher R2 and lower RMSE values at different irradiance levels lower than 800 w/m2, and module temperature levels higher than 50 °C.
Faster Implementation of The Dynamic Window Approach Based on Non-Discrete Path Representation
Authors: Lin Ziang , Taguchi Ryo
Published: October 2023

The dynamic window approach (DWA) serves as a pivotal collision avoidance strategy for mobile robots, meticulously guiding a robot to its target while ensuring a safe distance from any perceivable obstacles in the vicinity. While the DWA has seen various enhancements and applications, its foundational computational process has predominantly remained constant, consequently resulting in a heightened level of time complexity. Inspired by the velocity invariance assumption inherent in the DWA and the utilization of polar coordinate transformations in the model, we introduce a high-speed version of the DWA.
Synthesis and Evaluation of Marine-Inspired Compounds Result in Hybrids with Antitrypanosomal and Antileishmanial Activities
Authors: Carvalho Diogo Teixeira , Teixeira Melissa , Luelmo Sara , Santarém Nuno , Pinto Eugénia , Cordeiro-da-Silva Anabela , Sousa Emília
Published: October 2023

Natural products are a very rich source for obtaining new compounds with therapeutic potential. In the search for new antiparasitic and antimicrobial agents, molecular hybrids were designed based on the structures of antimicrobial marine quinazolinones and eugenol, a natural phenolic compound. Following reports of the therapeutic potential of quinazolinones and eugenol derivatives, it was expected that the union of these pharmacophores could generate biologically relevant substances. The designed compounds were obtained by classical synthetic procedures and were characterized by routine spectrometric techniques. Nine intermediates and final products were then evaluated in vitro against Trypanosoma brucei and Leishmania infantum. Antifungal and antibacterial activity were also evaluated. Six compounds (9b, 9c, 9d, 10b, 10c, and 14) showed mild activity against T. brucei with IC50 in the range of 11.17–31.68 μM. Additionally, intermediate 9c showed anti-Leishmania activity (IC50 7.54 μM) and was six times less cytotoxic against THP-1 cells. In conclusion, novel derivatives with a simple quinazolinone scaffold showing selectivity against parasites without antibacterial and antifungal activities were disclosed, paving the way for new antitrypanosomal agents.
Introducing an Innovative Approach for Managing Proximal Non-Cavitated Carious Lesions in Juvenile Permanent Dentition: Combining Orthodontic Separators and Silver Fluoride Application
Authors: Ahmed Eilaf E. A. , Al Nesser Salma , Schmoeckel Julian
Published: October 2023

Background and Objectives: The aim was to introduce an innovative, easy and cheap clinical approach for the control of multiple proximal non-cavitated lesions via the application of 38% silver fluoride after placement of orthodontic separators in the permanent dentition in high-caries-risk children. Materials and Methods: The case series describes the management of initial proximal carious lesions using silver fluoride (SF) products in the permanent dentition of two adolescent patients with prior proximal caries progression. Both presented with multiple asymptomatic carious lesions that were identified through the use of bitewing radiographs and classified according to the ADA proximal caries classification system. Using orthodontic separators prior to the planned application of SF, most of the surfaces could then be quickly directly examined to check for surface integrity. Follow-up examinations were conducted clinically and radiographically for at least one year to monitor lesion progression. Results: None of the 25 enamel lesions (E1/E2) exhibited signs of progression after single SF application, while 2 out of 11 dentine lesions (D1) showed progression and required restorative intervention. The progressed lesions potentially had non-cleansable micro-cavitations that were either clinically undetected or not fully reached with the micro-brush in SF application. Thus, this should have been repeated or combined with SF application via soaked superfloss to potentially achieve better results. Conclusions: Single application of 38% silver fluoride directly onto active enamel lesions in juvenile permanent teeth with the prior use of orthodontic separators combined with a caries-risk-specific prevention program appears to be highly effective and should be considered as a viable minimally invasive option for patients and clinicians due to its cost-effectiveness and time efficiency.
Mechanochemical Synthesis of Dolomite-Related Carbonates—Insight into the Effects of Various Parameters
Authors: Jiang Ting , Wang Chao , Chen Min , Hu Huimin , Huang Junwei , Chen Xiaofang , Zhang Qiwu
Published: October 2023

The low-temperature formation of dolomite (CaMg(CO3)2) is undoubtedly a long and interesting geological problem, which has troubled many researchers for centuries to explore the formation of dolomite. Recently, efforts have been made by synthesizing dolomite analogues such as norsethite (BaMg(CO3)2), PbMg(CO3)2, with Ba and Pb to replace Ca and investigating their reaction pathways. In this study, we reported our efforts to synthesize dolomite-related complex carbonates by using the mechanical ball milling method as a new approach to control the solid–water ratio compared to the commonly used solution method. Two analogues of norsethite and PbMg(CO3)2 have been simply obtained even at stoichiometric molar ratio of Ba/Mg = 1:1 and Pb/Mg = 1:1 with various parameters examined; and product properties including morphology and phase compositions were investigated by a range of techniques, including XRD, SEM-EDS, and FTIR. Finally, we attempted to synthesize dolomite and compared the differences from the synthesis of analogues. In conclusion, we have synthesized norsethite and PbMg(CO3)2 in one step by the ball milling method, which greatly reduces the reaction time compared with the conventional solution method and may provide other choices for the formation of dolomite.
Geochronological Constraints on the Origin of the Paleoproterozoic Qianlishan Gneiss Domes in the Khondalite Belt of the North China Craton and Their Tectonic implications
Authors: Qiao Hengzhong , Deng Peipei , Li Jiawei
Published: October 2023

The Paleoproterozoic gneiss domes are important structures of the Khondalite Belt in the northwestern North China Craton. However, less attention has been paid to their formation and evolution, and it thus hampers a better understanding of the deformation history of the Khondalite Belt. In this paper, we conducted structural and geochronological studies on the Qianlishan gneiss domes of the Khondalite Belt. The field observations and zircon U–Pb dating results show that the Qianlishan gneiss domes consist of 2.06–2.01 Ga granitoid plutons in the core, rimmed by granulite facies metasedimentary rocks (khondalites) of the Qianlishan Group. Both of them were subjected to two major phases of deformation (D1–D2) in the late Paleoproterozoic. Of these, D1 deformation mainly generated overturned to recumbent isoclinal folds F1 and penetrative transposed foliations/gneissosities S1 at ~1.95 Ga. Subsequently, D2 deformation produced the NW(W)–SE(E)-trending doubly plunging upright folds F2 at 1.93–1.90 Ga, and they have strongly re-oriented S1 gneissosities, giving rise to the Qianlishan gneiss domes. Combined with previous studies, we argue that the Qianlishan gneiss domes were the products of the Paleoproterozoic collisional orogenesis between the Yinshan and Ordos Blocks. Additionally, the development of doubly plunging antiforms is considered an important dome-forming mechanism in the Khondalite Belt.
Natural Phosphodiesterase-4 Inhibitors with Potential Anti-Inflammatory Activities from Millettia dielsiana
Authors: Le Vu Thi Thu , Hung Hoang Van , Ha Nguyen Xuan , Le Cao Hong , Minh Pham Thi Hong , Lam Do Tien
Published: October 2023

The results of in silico screening of the 50 isolated compounds from Millettia dielsiana against the target proteins PDE4 (PDE4A, PDE4B, and PDE4D) showed binding affinity ranges from −5.81 to −11.56, −5.27 to −13.01, and −5.80 to −12.12 kcal mol−1, respectively, with median values of −8.83, −8.84, and −8.645 kcal mol−1, respectively. Among these compounds, Millesianin F was identified as the most promising PDE4A inhibitor due to its strongest binding affinity with the target protein PDE4A. (−11.56 kcal mol−1). This was followed by the compound 5,7,4′-trihydroxyisoflavone 7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside (D50) with the binding affinity value of −11.35 kcal mol−1. For the target protein PDE4B, compound D50 exhibited the strongest binding affinity value of −13.01 kcal mol−1, while showing poorer inhibition ability for PDE4D. The 100 ns MD simulation examination (radius of gyration, Solvent Accessible Surface Area (SASA), Root-Mean-Square Deviation (RMSD), Root-Mean-Square Fluctuation (RMSF), and hydrogen bonding) was carried out to examine the overall stability and binding efficiency of the protein–ligand complex between compounds (Millesianin F, Millesianin G, Claclrastin-7-O-β-d-glucopyranoside, 7-hydroxy-4′,6 dimethoxyisoflavone-7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside, 7-hydroxy-4′,8-dimethoxyisoflavone 7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside, Odoratin-7-O-β-d-glucopyranoside, and 5,7,4′-trihydroxyisoflavone 7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside) and PDE4 (A, B) subtype proteins. Compound D50 has shown strong anti-inflammatory activity, as evidenced by experimental results. It effectively inhibits PDE4B and PDE4D, with IC50 values of 6.56 ± 0.7 µM and 11.74 ± 1.3 µM, respectively. Additionally, it reduces NO production, with an IC50 value of 5.40 ± 0.9 µM. Based on these findings, it is promising and considered a potential novel anti-inflammatory drug for future development.
Generation of Simulated “Natural” Nanoplastics from Polypropylene Food Packaging as the Experimental Standard
Authors: Wang Zhongtang , Wang Ying , Lu Xin , Zhang Hongyan , Jia Zhenzhen
Published: October 2023

Current toxicology research on nanoplastics (NPs) generally uses commercial spherical NPs. However, the physicochemical characteristics of commercial NPs are significantly different from those of NPs formed under natural conditions, possibly affecting the validity of the results. In analytical chemistry, a reference sample is selected such that its physicochemical properties are as similar as possible to the target. Therefore, a simulated “natural” NP synthesized in the laboratory that closely resembles naturally derived NPs would be used as an authentic standard. Here, we established the assay of scanning electron microscope (SEM)-particle size distribution analyzer (PSDA)-surface-enhanced Raman scattering (SERS) to detect NPs and prepared simulated “natural” NPs from polypropylene food packaging material using a method that mimics natural conditions. Nanofiltration was used to isolate three sets of simulated NPs with particle sizes ranging from 50–100 nm, 100–200 nm, and 200–400 nm. These simulated “natural” NPs were more similar to naturally occurring counterparts when compared with commercial NPs. These new standard NPs, which should be scalable for large-scale use, will improve the accuracy, reliability, and translatability of toxicological studies of NPs.
In Vitro Antifungal Activity of Selected Essential Oils against Drug-Resistant Clinical Aspergillus spp. Strains
Authors: Allizond Valeria , Cavallo Lorenza , Roana Janira , Mandras Narcisa , Cuffini Anna Maria , Tullio Vivian , Banche Giuliana
Published: October 2023

Background: Treatment options for aspergillosis include amphotericin B (AMB) and azole compounds, such as itraconazole (ITZ). However, serious side effects related to these antifungal agents are increasingly evident, and resistance continues to increase. Currently, a new trend in drug discovery to overcome this problem is represented by natural products from plants, or their extracts. Particularly, there is a great interest in essential oils (EOs) recognized for their antimicrobial role towards bacteria, fungi and viruses. Methods: In this study, we evaluated the antifungal activity of eleven commercial EOs—clove, eucalyptus, geranium, hybrid lavender, lavender, lemon, lemongrass, neroli, oregano, tea tree and red red thyme—in comparison with AMB and ITZ against Aspergillus flavus, A. fumigatus and A. niger clinical isolates. Antifungal activity was determined by broth microdilution method, agar diffusion technique, fungistatic and fungicidal activities and vapor contact assay. Results: Gas chromatography–mass spectrometry analysis displayed two groups of distinct biosynthetical origin: monoterpenes dominated the chemical composition of the most oils. Only two aromatic compounds (eugenol 78.91% and eugenyl acetate 11.64%) have been identified as major components in clove EO. Lemongrass EO exhibits the strongest antimicrobial activity with a minimum inhibitory concentration of 0.56 mg/mL and a minimum fungicidal concentration of 2.25–4.5 mg/mL against Aspergillus spp. strains. Clove and geranium EOs were fairly effective in inhibiting Aspergillus spp. growth. Conclusions: These results demonstrate the antimicrobial potential of some EOs and support the research of new alternatives or complementary therapies based on EOs.
Dual-Emissive Rectangular Supramolecular Pt(II)-p-Biphenyl with 4,4′-Bipyridine Derivative Metallacycles: Stepwise Synthesis and Photophysical Properties
Authors: Garypidou Antonia , Ypsilantis Konstantinos , Plakatouras John C. , Garoufis Achilleas
Published: October 2023

Mixed-ligand tetranuclear supramolecular coordination complexes (SCCs) of Pt(II)-p-biphenyl and bridging ligands derivatives of 4,4′-bypiridine (8)–(10), were synthesized and characterized. The SCCs were synthesized stepwise, starting from the Pt-p-biphenyl -Pt core. The crystal structure of complex {[Pt(2,2′-bpy)]4(μ-bph)2(μ-(4,4′-bpy)2}{PF6}4 (2,2′-bpy = 2,2′-bipyridine, bph = p-biphenyl and 4,4′-bpy = 4,4′ bipyridine), was determined using single-crystal diffraction methods. The emission profile of the tetranuclear complexes (8)–(10) was influenced by the length of the bridging ligands and was found to depend on solvent polarity. Dual-emission patterns in methanol–water mixtures were observed only in the cases of complexes (9) and (10), attributed to aggregation-induced emission phenomena.
The Green Tea Polyphenol Epigallocatechin-Gallate (EGCG) Interferes with Microcin E492 Amyloid Formation
Authors: Aguilera Paulina , Berríos-Pastén Camilo , Veloso Marcelo , Gálvez-Silva Matías , Turbant Florian , Lagos Rosalba , Wien Frank , Arluison Veronique , Marcoleta Andrés E.
Published: October 2023

Microcin E492 (MccE492) is an antimicrobial peptide and proposed virulence factor produced by some Klebsiella pneumoniae strains, which, under certain conditions, form amyloid fibers, leading to the loss of its antibacterial activity. Although this protein has been characterized as a model functional amyloid, the secondary structure transitions behind its formation, and the possible effect of molecules that inhibit this process, have not been investigated. In this study, we examined the ability of the green tea flavonoid epigallocatechin gallate (EGCG) to interfere with MccE492 amyloid formation. Aggregation kinetics followed by thioflavin T binding were used to monitor amyloid formation in the presence or absence of EGCG. Additionally, synchrotron radiation circular dichroism (SRCD) and transmission electron microscopy (TEM) were used to study the secondary structure, thermal stability, and morphology of microcin E492 fibers. Our results showed that EGCG significantly inhibited the formation of the MccE492 amyloid, resulting in mainly amorphous aggregates and small oligomers. However, these aggregates retained part of the β-sheet SRCD signal and a high resistance to heat denaturation, suggesting that the aggregation process is sequestered or deviated at some stage but not completely prevented. Thus, EGCG is an interesting inhibitor of the amyloid formation of MccE492 and other bacterial amyloids.
Construction of Single-Atom Catalysts for N, O Synergistic Coordination and Application to Electrocatalytic O2 Reduction
Authors: Liu Jin-Hang , Jiang Huixiong , Liao Bokai , Cao Xiaohua , Yu Langhua , Chen Xiudong
Published: October 2023

Replacing expensive platinum oxygen reduction reaction (ORR) catalysts with atomically dispersed single-atom catalysts is an effective way to improve the energy conversion efficiency of fuel cells. Herein, a series of single-atom catalysts, TM-N2O2Cx (TM=Sc-Zn) with TM-N2O2 active units, were designed, and their catalytic performance for electrocatalytic O2 reduction was investigated based on density functional theory. The results show that TM-N2O2Cx exhibits excellent catalytic activity and stability in acidic media. The eight catalysts (TM=Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) are all 4e− reaction paths, among which Sc-N2O2Cx, Ti-N2O2Cx, and V-N2O2Cx follow dissociative mechanisms and the rest are consistent with associative mechanisms. In particular, Co-N2O2Cx and Ni-N2O2Cx enable a smooth reduction in O2 at small overpotentials (0.44 V and 0.49 V, respectively). Furthermore, a linear relationship between the adsorption free energies of the ORR oxygen-containing intermediates was evident, leading to the development of a volcano plot for the purpose of screening exceptional catalysts for ORR. This research will offer a novel strategy for the design and fabrication of exceptionally efficient non-precious metal catalysts on an atomic scale.
In Silico Molecular Docking and Dynamics Simulation Analysis of Potential Histone Lysine Methyl Transferase Inhibitors for Managing β-Thalassemia
Authors: Ravikumar Yuvaraj , Koonyosying Pimpisid , Srichairatanakool Sirichai , Ponpandian Lakshmi Naryanan , Kumaravelu Jayanthi , Srichairatanakool Somdet
Published: October 2023

A decreased hemoglobin synthesis is contemplated as a pathological indication of β-thalassemia. Recent studies show that EPZ035544 from Epizyme could induce fetal hemoglobin (HbF) levels due to its proven capability to inhibit euchromatin histone lysine methyl transferase (EHMT2). Therefore, the development of EHMT2 inhibitors is considered promising in managing β-thalassemia. Our strategy to find novel compounds that are EHMT2 inhibitors relies on the virtual screening of ligands that have a structural similarity to N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl) phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine (F80) using the PubChem database. In silico docking studies using Autodock Vina were employed to screen a library of 985 compounds and evaluate their binding ability with EHMT2. The selection of hit compounds was based on the docking score and mode of interaction with the protein. The top two ranked compounds were selected for further investigations, including pharmacokinetic properties analysis and molecular dynamics simulations (MDS). Based on the obtained docking score and interaction analysis, N-(4-methoxy-3-methylphenyl)-4,6-diphenylpyrimidin-2-amine (TP1) and 2-N-[4-methoxy-3-(5-methoxy-3H-indol-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (TP2) were found to be promising candidates, and TP1 exhibited better stability in the MDS study compared to TP2. In summary, our approach helps identify potential EHMT2 inhibitors, and further validation using in vitro and in vivo experiments could certainly enable this molecule to be used as a therapeutic drug in managing β-thalassemia disease.
Electrical and Thermal Conductivities of Single CuxO Nanowires
Authors: De Carlo Ivan , Baudino Luisa , Klapetek Petr , Serrapede Mara , Michieletti Fabio , De Leo Natascia , Pirri Fabrizio , Boarino Luca , Lamberti Andrea , Milano Gianluca
Published: October 2023

Copper oxide nanowires (NWs) are promising elements for the realization of a wide range of devices for low-power electronics, gas sensors, and energy storage applications, due to their high aspect ratio, low environmental impact, and cost-effective manufacturing. Here, we report on the electrical and thermal properties of copper oxide NWs synthetized through thermal growth directly on copper foil. Structural characterization revealed that the growth process resulted in the formation of vertically aligned NWs on the Cu growth substrate, while the investigation of chemical composition revealed that the NWs were composed of CuO rather than Cu2O. The electrical characterization of single-NW-based devices, in which single NWs were contacted by Cu electrodes, revealed that the NWs were characterized by a conductivity of 7.6 × 10−2 S∙cm−1. The effect of the metal–insulator interface at the NW–electrode contact was analyzed by comparing characterizations in two-terminal and four-terminal configurations. The effective thermal conductivity of single CuO NWs placed on a substrate was measured using Scanning Thermal Microscopy (SThM), providing a value of 2.6 W∙m−1∙K−1, and using a simple Finite Difference model, an estimate for the thermal conductivity of the nanowire itself was obtained as 3.1 W∙m−1∙K−1. By shedding new light on the electrical and thermal properties of single CuO NWs, these results can be exploited for the rational design of a wide range of optoelectronic devices based on NWs.
Antitumor Activity of Carboxymethyl Pachymaran with Different Molecular Weights Based on Immunomodulatory and Gut Microbiota
Authors: Zhao Yalin , Feng Xi , Zhang Lijia , Huang Wen , Liu Ying
Published: October 2023

Carboxymethyl pachymaran (CMP) was treated via high-temperature and cellulase hydrolysis to obtain HTCMP, HTEC-24, and HTEC-48. The chemical structure and in vivo antitumor activities of the four types of CMPs were investigated. Compared with CMP (787.9 kDa), the molecular weights of HTCMP, HTEC-24, and HTEC-48 were decreased to 429.8, 129.9, and 68.6 kDa, respectively. The viscosities and particle sizes of the CMPs could also decrease with the decline in the molecular weights. All the CMPs showed antitumor abilities, but HTEC-24 exhibited the best activity. In the animal study, when curing the spleen and thymus, CMPs displayed immunomodulatory effects by increasing the secretion of IFN-γ and IL2 in mice. The CMPs also exerted an antitumor ability by regulating the gut microbiota in tumor-bearing mice. Our results established a foundation to develop an antitumor drug with CMP.
Benzimidazoles Containing Piperazine Skeleton at C-2 Position as Promising Tubulin Modulators with Anthelmintic and Antineoplastic Activity
Authors: Anichina Kameliya , Mavrova Anelia , Vuchev Dimitar , Popova-Daskalova Galya , Bassi Giada , Rossi Arianna , Montesi Monica , Panseri Silvia , Fratev Filip , Naydenova Emilia
Published: October 2023

Benzimidazole anthelmintic drugs hold promise for repurposing as cancer treatments due to their interference with tubulin polymerization and depolymerization, manifesting anticancer properties. We explored the potential of benzimidazole compounds with a piperazine fragment at C-2 as tubulin-targeting agents. In particular, we assessed their anthelmintic activity against isolated Trichinella spiralis muscle larvae and their effects on glioblastoma (U-87 MG) and breast cancer (MDA-MB-231) cell lines. Compound 7c demonstrated exceptional anthelmintic efficacy, achieving a 92.7% reduction in parasite activity at 100 μg/mL after 48 hours. In vitro cytotoxicity analysis of MDA-MB 231 and U87 MG cell lines showed that derivatives 7b, 7d, and 7c displayed lower IC50 values compared to albendazole (ABZ), the control. These piperazine benzimidazoles effectively reduced cell migration in both cell lines, with compound 7c exhibiting the most significant reduction, making it a promising candidate for further study. The binding mode of the most promising compound 7c, was determined using the induced fit docking–molecular dynamics (IFD–MD) approach. Regular docking and IFD were also employed for comparison. The IFD–MD analysis revealed that 7c binds to tubulin in a unique binding cavity near that of ABZ, but the benzimidazole ring was fitted much deeper into the binding pocket. Finally, the absolute free energy of perturbation technique was applied to evaluate the 7c binding affinity, further confirming the observed binding mode.
The Effect of Salbutamol and Budesonide Pediatric Doses on Dental Enamel and Packable and Flowable Composites: Microhardness, Surface Roughness and Color
Authors: Ibrahim Maria Salem , Alatiyyah Fatimah Mohammed , Mohammed Khawla Abbas , Alhawaj Hibah Nouh , Balhaddad Abdulrahman A. , Ibrahim Ahmed Salem
Published: October 2023

Objective: To assess and compare the effects of two pediatric anti-asthmatic medication doses on the microhardness of enamel and microhardness, surface roughness and color of restorative materials. Methods: Human enamel samples and packable and flowable composite restorations were used. The samples were exposed to Salbutamol (0.6 mL/6 mL saline) and Budesonide (2 mL/2 mL saline) via a custom-made chamber connected to a nebulizer. Medication administration was conducted for 10 days. The samples were brushed with an electronic brush in a continuous and circular mode for 10 s after 10 min of medication administration. Assessments of microhardness, surface roughness and color were carried out at three different time intervals: baseline (T0), 5 days (T1) and 10 days (T2). One-way analysis of variance (ANOVA), a two-sample t-test and a Bonferroni multiple comparison test were used to analyze the data and compare between the groups. Results: Both medications significantly (p < 0.05) decreased the microhardness of the enamel and composite samples after 10 days. Both medications lowered the surface roughness of both types of composite with a greater effect observed after 10 days of Budesonide administration (p < 0.05). Both medications had comparable detectable color change on both types of composite with a greater effect observed after 10 days of Budesonide administration (p < 0.05). Conclusion: Salbutamol and Budesonide significantly decreased microhardness in the enamel samples. Both medications affected the properties of packable and flowable composites. The packable composite showed more resistance to microhardness changes. Both medications showed a clinically detectable change in the color of packable and flowable composites.
Average Intensity of a Laguerre—Gaussian Vector Vortex Beam through Inhomogeneous Atmospheric Turbulence
Authors: Huang Kai , Xu Yonggen , Li Yuqiang
Published: October 2023

We investigate the evolution properties of a partially coherent Laguerre–Gaussian vector vortex (LGVV) beam through inhomogeneous atmospheric turbulence. Analytical formulae for the elements of a cross-spectral density matrix of a partially coherent LGVV beam propagating in turbulence are derived with the help of the extended Huygens–Fresnel principle. Our outcomes demonstrate that the normalized initial profile of a partially coherent beam with concentric dark rings gradually evolves into a Gaussian-like beam profile in turbulence. We also find that the beam is emitted at a large zenith angle and quickly converts to a Gaussian-like beam. Furthermore, it is also shown that a propagation beam with a large topological charge has a stronger ability to resist atmospheric turbulence. In order to confirm our numerical results, we combine the complex screen method and multi-phase screen method to simulate the propagation of a partially coherent LGVV beam in atmospheric turbulence. It is indicated that the simulation results are in good agreement with theoretical predictions. Our results will pave the way for the development of free-space optical communications and remote sensing.
Regulation of Flowering Time by Environmental Factors in Plants
Authors: Lee Zion , Kim Sohyun , Choi Su Jeong , Joung Eui , Kwon Moonhyuk , Park Hee Jin , Shim Jae Sung
Published: October 2023

The timing of floral transition is determined by both endogenous molecular pathways and external environmental conditions. Among these environmental conditions, photoperiod acts as a cue to regulate the timing of flowering in response to seasonal changes. Additionally, it has become clear that various environmental factors also control the timing of floral transition. Environmental factor acts as either a positive or negative signal to modulate the timing of flowering, thereby establishing the optimal flowering time to maximize the reproductive success of plants. This review aims to summarize the effects of environmental factors such as photoperiod, light intensity, temperature changes, vernalization, drought, and salinity on the regulation of flowering time in plants, as well as to further explain the molecular mechanisms that link environmental factors to the internal flowering time regulation pathway.