bluuebunny/crossref_metadata_2025 huggingface dataset:
A Decade for the Mathematics: Bibliometric Analysis of Mathematical Modeling in Economics, Ecology, and Environment
Authors: Petcu Monica Aureliana , Ionescu-Feleaga Liliana , Ionescu Bogdan-Ștefan , Moise Dumitru-Florin
Published: January 2023

Our study commemorates this event by presenting a retrospective of the publications related to the use of mathematical tools for the analysis of economic, ecological, and environmental phenomena. We analyzed 1257 scientific publications using bibliometric techniques to examine the most productive and influential authors and their contributions in the economic, ecological, and environmental fields. Co-authorship among the top authors and countries, co-occurrence of the keywords, bibliographic coupling of the documents and authors, and author co-citation were analyzed by applying network analysis techniques using VOSviewer software, identifying the intellectual structure of the research and the collaborative networks in the fields. The results show that mathematics has grown impressively in terms of publication and citation. The contributions come from all over the world, but the majority are from the People’s Republic of China and Spain. The results also show themes and trends in the economic, environmental, and ecological fields and a predominant use of mathematical tools in optimization processes in order to rigorously substantiate the decisions of investors and policymakers. Thus, our study offers support for any researcher to understand the current state of the art and develop a comprehensive understanding of journal publications.
Feature Map Regularized CycleGAN for Domain Transfer
Authors: Krstanović Lidija , Popović Branislav , Janev Marko , Brkljač Branko
Published: January 2023

CycleGAN domain transfer architectures use cycle consistency loss mechanisms to enforce the bijectivity of highly underconstrained domain transfer mapping. In this paper, in order to further constrain the mapping problem and reinforce the cycle consistency between two domains, we also introduce a novel regularization method based on the alignment of feature maps probability distributions. This type of optimization constraint, expressed via an additional loss function, allows for further reducing the size of the regions that are mapped from the source domain into the same image in the target domain, which leads to mapping closer to the bijective and thus better performance. By selecting feature maps of the network layers with the same depth d in the encoder of the direct generative adversarial networks (GANs), and the decoder of the inverse GAN, it is possible to describe their d-dimensional probability distributions and, through novel regularization term, enforce similarity between representations of the same image in both domains during the mapping cycle. We introduce several ground distances between Gaussian distributions of the corresponding feature maps used in the regularization. In the experiments conducted on several real datasets, we achieved better performance in the unsupervised image transfer task in comparison to the baseline CycleGAN, and obtained results that were much closer to the fully supervised pix2pix method for all used datasets. The PSNR measure of the proposed method was, on average, 4.7% closer to the results of the pix2pix method in comparison to the baseline CycleGAN over all datasets. This also held for SSIM, where the described percentage was 8.3% on average over all datasets.
Design of Fuzzy and Conventional Controllers for Modeling and Simulation of Urban Traffic Light System with Feedback Control
Authors: Vatchova Boriana , Boneva Yordanka
Published: January 2023

Traffic patterns in urban areas present a complex and dynamic system that is characterized by inherent uncertainties. The presented study is a traffic light control system with feedback. The controller of the system is designed in a fuzzy and conventional way and is applied to a network of two junctions. The verification is performed using the MATLAB fuzzy toolbox platform (for designing the fuzzy controller) and Aimsun platform for microsimulation of the two junctions using the two types of controllers. To accomplish the control of the system a fuzzy controller on heuristic rules proposed to allow adaptive traffic control on signalized junctions in urban environments. The Fuzzy Toolbox in MATLAB is used to simulate the fuzzy controller. The Aimsun traffic simulator is used to model and simulate a traffic network of two intersections. The green light duration in the Aimsun model is based on the results for the two controllers from two separated experiments. Simulations of Aimsun models with the two types of controllers, the fuzzy and the conventional one, are compared. The experiment is performed under the premise that the traffic flow is oversaturated. Findings show that in a network of two junctions both controllers perform in a similar manner for the first junction. However, for the second junction, the fuzzy controller tends to have some advantages over the conventional controller with regard to higher traffic flow. In conclusion, the overall performance of the fuzzy controller is better than the one of the conventional controller, but further research is needed for more complex traffic networks.
Optimal Pursuit Game of Two Pursuers and One Evader with the Grönwall-Type Constraints on Controls
Authors: Ibragimov Gafurjan , Yusupov Ikrombek , Ferrara Massimiliano
Published: January 2023

We studied a simple motion differential game of two pursuers and one evader in R2. The control functions of players are subjected to the Grönwall-type constraints. If the state of the evader coincides with the state of a pursuer, then the game is considered complete. The pursuers attempt to complete the game as earlier as possible. The evader attempts to avoid being captured or delays the capture time. We found an equation for the optimal pursuit time and construct the optimal strategies of players.
Dynamic Behavior Analysis and Synchronization of Memristor-Coupled Heterogeneous Discrete Neural Networks
Authors: Ma Minglin , Xiong Kangling , Li Zhijun , Sun Yichuang
Published: January 2023

Continuous memristors have been widely studied in recent years; however, there are few studies on discrete memristors in the field of neural networks. In this paper, a four-stable locally active discrete memristor (LADM) is proposed as a synapse, which is used to connect a two-dimensional Chialvo neuron and a three-dimensional KTZ neuron, and construct a simple heterogeneous discrete neural network (HDNN). Through a bifurcation diagram and Lyapunov exponents diagram, the period and chaotic regions of the discrete neural network model are shown. Through numerical analysis, it was found that the chaotic region and periodic region of the neural network based on DLAM are significantly improved. In addition, coexisting chaos and chaos attractors, coexisting periodic and chaotic attractors, and coexisting periodic and periodic attractors will appear when the initial value of the LADM is changed. Coupled by a LADM synapse, two heterogeneous discrete neurons are gradually synchronized by changing the coupling strength. This paper lays a good foundation for the future analysis of LADMs and the related research of discrete neural networks coupled by LADMs.
Implementing Magnetic Resonance Imaging Brain Disorder Classification via AlexNet–Quantum Learning
Authors: Alsharabi Naif , Shahwar Tayyaba , Rehman Ateeq Ur , Alharbi Yasser
Published: January 2023

The classical neural network has provided remarkable results to diagnose neurological disorders against neuroimaging data. However, in terms of efficient and accurate classification, some standpoints need to be improved by utilizing high-speed computing tools. By integrating quantum computing phenomena with deep neural network approaches, this study proposes an AlexNet–quantum transfer learning method to diagnose neurodegenerative diseases using magnetic resonance imaging (MRI) dataset. The hybrid model is constructed by extracting an informative feature vector from high-dimensional data using a classical pre-trained AlexNet model and further feeding this network to a quantum variational circuit (QVC). Quantum circuit leverages quantum computing phenomena, quantum bits, and different quantum gates such as Hadamard and CNOT gate for transformation. The classical pre-trained model extracts the 4096 features from the MRI dataset by using AlexNet architecture and gives this vector as input to the quantum circuit. QVC generates a 4-dimensional vector and to transform this vector into a 2-dimensional vector, a fully connected layer is connected at the end to perform the binary classification task for a brain disorder. Furthermore, the classical–quantum model employs the quantum depth of six layers on pennyLane quantum simulators, presenting the classification accuracy of 97% for Parkinson’s disease (PD) and 96% for Alzheimer’s disease (AD) for 25 epochs. Besides this, pre-trained classical neural models are implemented for the classification of disorder and then, we compare the performance of the classical transfer learning model and hybrid classical–quantum transfer learning model. This comparison shows that the AlexNet–quantum learning model achieves beneficial results for classifying PD and AD. So, this work leverages the high-speed computational power using deep network learning and quantum circuit learning to offer insight into the practical application of quantum computers that speed up the performance of the model on real-world data in the healthcare domain.
Multi-Strategy Enhanced Harris Hawks Optimization for Global Optimization and Deep Learning-Based Channel Estimation Problems
Authors: Sun Yunshan , Huang Qian , Liu Ting , Cheng Yuetong , Li Yanqin
Published: January 2023

Harris Hawks Optimization (HHO) simulates the cooperative hunting behavior of Harris hawks and it has the advantages of fewer control parameters, simple principles, and excellent exploitation ability. However, HHO also has the disadvantages of slow convergence and easy falling into local optimality. Aiming at the above shortcomings, this paper proposes a Multi-strategy Enhanced Harris Hawks Optimization (MEHHO). Firstly, the map-compass operator and Cauchy mutation strategy are used to increase the population diversity and improve the ability of the algorithm to jump out of the local optimal. Secondly, a spiral motion strategy is introduced to improve the exploration phase to enhance search efficiency. Finally, the convergence speed and accuracy of the algorithm are improved by greedy selection to fully retain the dominant individuals. The global search capability of the proposed MEHHO is verified by 28 benchmark test functions, and then the parameters of the deep learning network used for channel estimation are optimized by using the MEHHO to verify the practicability of the MEHHO. Experimental results show that the proposed MEHHO has more advantages in solving global optimization problems and improving the accuracy of the channel estimation method based on deep learning.
Influence of Multiple Anti-VEGF Injections on Retinal Nerve Fiber Layer and Ganglion Cell-Inner Plexiform Layer Thickness in Patients with Exudative Age-Related Macular Degeneration
Authors: Zivkovic Maja , Radosavljevic Aleksandra , Zlatanovic Marko , Jaksic Vesna , Davidovic Sofija , Stamenkovic Miroslav , Todorovic Ivana , Jaksic Jana
Published: January 2023

Backgrounds and Objectives: To analyze the influence of multiple anti-VEGF intravitreal injections for exudative age-related macular degeneration on the thickness of peripapillary retinal nerve fiber layer (RNFL) and macular ganglion cell-inner plexiform layer (GC + IPL) using spectral domain optical coherence tomography (SD-OCT). Materials and Methods: A prospective interventional study of consecutive patients treated with intravitreal bevacizumab (IVB) was performed. Average and sectorial values of RNFL and GC + IPL thickness were recorded using Cirrus SD-OCT at 0, 6, 12, and 24 months. Patients suffering from any ocular disease that could affect RNFL or GC + IPL thickness were excluded. Results: A total of 135 patients (70 women and 65 men, aged 65 ± 15 years) were included. The average number of injections per patient was 12.4 ± 2.4. Average RNFL and GC + IPL thickness prior to the first injection (87.6 ± 12.2 and 47.2 ± 15.5 respectively), and after 24-month follow-up (86.2 ± 12.6 and 46.7 ± 11.9 respectively) did not differ significantly (p > 0.05). There was a significant decrease in GC2, GC5 segments, and minimum GC + IPL thickness. Conclusion: Repeated anti-VEGF treatment did not cause significant changes in the thickness of RNFL and GC + IPL layers over a period of 24 months. The detected decrease in GC2 and GC5 sectors, as well as in minimum GC + IPL thickness, could be a sign of ganglion cell damage induced by the treatment or could occur during the natural course of the disease.
Hemostatic Powders in Non-Variceal Upper Gastrointestinal Bleeding: The Open Questions
Authors: Paoluzi Omero Alessandro , Troncone Edoardo , De Cristofaro Elena , Sibilia Mezia , Monteleone Giovanni , Del Vecchio Blanco Giovanna
Published: January 2023

Hemostatic powder (HP) is a relatively recent addition to the arsenal of hemostatic endoscopic procedures (HEPs) for gastrointestinal bleeding (GIB) due to benign and malignant lesions. Five types of HP are currently available: TC-325 (Hemospray™), EndoClot™, Ankaferd Blood Stopper®, and, more recently, UI-EWD (NexpowderTM) and CEGP-003 (CGBio™). HP acts as a mechanical barrier and/or promotes platelet activation and coagulation cascade. HP may be used in combination with or as rescue therapy in case of failure of conventional HEPs (CHEPs) and also as monotherapy in large, poorly accessible lesions with multiple bleeding sources. Although the literature on HP is abundant, randomized controlled trials are scant, and some questions remain open. While HP is highly effective in inducing immediate hemostasis in GIB, the rates of rebleeding reported in different studies are very variable, and conditions affecting the stability of hemostasis have not yet been fully elucidated. It is not established whether HP as monotherapy is appropriate in severe GIB, such as spurting peptic ulcers, or should be used only as rescue or adjunctive therapy. Finally, as it can be sprayed on large areas, HP could become the gold standard in malignancy-related GIB, which is often nonresponsive or not amenable to treatment with CHEPs as a result of multiple bleeding points and friable surfaces. This is a narrative review that provides an overview of currently available data and the open questions regarding the use of HP in the management of non-variceal upper GIB due to benign and malignant diseases.
Synthesis, Characterization, and Performance of Semi-Refined Kappa Carrageenan-Based Film Incorporating Cassava Starch
Authors: Panatarani Camellia , Praseptiangga Danar , Widjanarko Putut Ismu , Azhary Sundoro Yoga , Nurlilasari Puspita , Rochima Emma , Joni I Made
Published: January 2023

This paper reports the incorporation of cassava starch (CS) at various concentrations into a previously developed ZnO/SiO2-semi-refined kappa carrageenan-based film (SRκC) bionanocomposite and evaluates its performance as minced chicken edible packaging. The incorporation of CS into SRκC-based films aims to provide multifunctional food packaging with enhanced surface morphology, thickness, mechanical properties, and transparency. The effect of the incorporation of various mixing ratios of CS and SRκC (CS:SRκC ratios of 1:3, 1:1, and 3:1) was investigated. The results show that the surface morphology, thickness, and mechanical properties of the SRκC-based films are increased by incorporating CS. Interestingly, a significant shelf-life improvement of up to 6 days is obtained for the application of the CS:SRκC 1:3 film as minced chicken packaging. It is concluded that the incorporation of CS into SRκC-based film is promising for extending the shelf life of minced chicken samples.
Research on the Curvature Prediction Method of Profile Roll Bending Based on Machine Learning
Authors: Cao Hongqiang , Yu Gaochao , Liu Tong , Fu Pengcheng , Huang Guoyan , Zhao Jun
Published: January 2023

Roll-bending technology has a high degree of flexibility and does not require special molds. However, based on the existing plastic mechanics theory and finite element simulation, it is difficult to accurately analyze the complex spatial relationship of profile roll forming. Therefore, a fixed-curvature prediction model is constructed based on XGBoost (extreme gradient boosting), and the coupling effect of the process parameters and material performance parameters on the roll-forming process is explored. Combined with a Bayesian optimization algorithm, the hyperparameters of the fixed-curvature prediction model are optimized. In addition, based on the prediction result of the fixed curvature, a variable-curvature prediction model is established using the conditional random field (CRF). To further improve the prediction accuracy, an error compensation network is added after the result of the CRF in order to map the discrete sequence to the continuous sequence. The experimental results show that the mean square error (MSE), mean absolute error (MAE), and mean absolute percentage error (MAPE) predicted by the models above are much smaller than other methods, which verifies the superiority of the prediction models.
Research on Arc Morphology and Keyhole Behavior of Molten Pool in Magnetically Controlled Plasma-GMAW Welding
Authors: Miao Xinglin , Zhang Hongtao , Ge Fuchen , He Zhenyu , Gao Jianguo , Su Zhaofang
Published: January 2023

In the magnetically controlled Plasma-GMAW welding process, the composite arc forms a keyhole in the workpiece to be welded. In order to explore the effect of process parameters on arc coupling, weld pool and keyhole, and the behavior characteristics of keyhole, the arc behavior and side weld pool information were collected using a welding arc acquisition system and a high-speed camera during bead-on-plate welding. The arc image is processed by pseudo-color enhancement technology, and the collected molten pool information is analyzed by boundary extraction algorithm and coordinate conversion algorithm, and the molten pool boundary and keyhole entrance width are obtained. It is found that the coupling degree of the two arcs increases with the increase in plasma current, GMAW current and magnetic field intensity. With the increase in plasma current, the size of keyhole inlet increases; with the increase of GMAW current, the size of keyhole inlet decreases, and the wave crest increases. With the increase of magnetic field intensity, the intensity of metal oscillation between the two arcs increases, and so does the wave crest.
Twin-Related Grain Boundary Engineering and Its Influence on Mechanical Properties of Face-Centered Cubic Metals: A Review
Authors: Li Xiaowu , Guan Xianjun , Jia Zipeng , Chen Peng , Fan Chengxue , Shi Feng
Published: January 2023

On the basis of reiterating the concept of grain boundary engineering (GBE), the recent progress in the theoretical models and mechanisms of twin-related GBE optimization and its effect on the mechanical properties is systematically summarized in this review. First, several important GBE-quantifying parameters are introduced, e.g., the fraction of special grain boundaries (GBs), the distribution of triple-junctions, and the ratio of twin-related domain size to grain size. Subsequently, some theoretical models for the GBE optimization in face-centered cubic (FCC) metals are sketched, with a focus on the model of “twin cluster growth” by summarizing the in-situ and quasi-in-situ observations on the evolution of grain boundary character distribution during the thermal-mechanical process. Finally, some case studies are presented on the applications of twin-related GBE in improving the various mechanical properties of FCC metals, involving room-temperature tensile ductility, high-temperature strength-ductility match, creep resistance, and fatigue properties. It has been well recognized that the mechanical properties of FCC materials could be obviously improved by a GBE treatment, especially at high temperatures or under high cyclic loads; under these circumstances, the materials are prone to intergranular cracking. In short, GBE has tremendous potential for improving the mechanical properties of FCC metallic materials, and it is a feasible method for designing high-performance metallic materials.
Experimental Investigation of the Porous Free Zone of Silicon Cemented Layer Obtained through Pack Cementation
Authors: Cojocaru Mihai Ovidiu , Branzei Mihai , Morariu Mircea Dan , Cotrut Cosmin Mihai , Dragomir Daniela
Published: January 2023

The development of a porous free zone of the silicon cemented layer represents a scientific and technical challenge. The limitation of the effects of the Kirkendall–Frenkel phenomena requires the right control of the thermochemical processing parameters (temperature, time, and chemical) and thorough knowledge of the related interaction with the specific elements of the metallic matrix of the thermochemically processed product. Through the experimental programming method, the individual and cumulated effects of the thermochemical processing parameters on (Fe-Armco) high-purity iron cemented by silicon in ferrosilicon (FeSi75C) powdered solid media have been quantified. It was concluded that ferrosilicon with silicon concentrations higher than 60% (FeSi75C) represents a redoubtable active component, especially in a temperature range higher than 1100 °C. In the layer cemented with silicon, the presence of nitrogen was also observed, as a direct consequence of the composition of the medium used for cementation. The presence of this element is the predominant result of the manifestation of the ionic phenomenon of adsorption. The correlations between these parameters and the dimension of the porous free zone of the silicon cemented layer in the vicinity of the thermochemically processed surface have been determined.
An Efficient 24–30 GHz GaN-on-Si Driver Amplifier Using Synthesized Matching Networks
Authors: Peng Lin , Yan Jing , Zhang Zhihao , Zhang Gary
Published: January 2023

This paper presents a broadband GaN microwave monolithic integrated circuit driver amplifier (MMIC DA) with compact dimensions of 1.65 mm × 0.78 mm for 5G millimeter-wave communication. The optimal impedance domain satisfying the preset goals was first acquired using the simplified load-pull procedure and small-signal simulations, followed by a weighted average method to determine the reference center matching point from which the optimal intrinsic load can be deduced. By means of de-embedding load-pull contours, modeling based on theoretical analysis, and simulation fitting for parameter identification, the nonlinear output capacitance and a series RLC model circuit approximating the input impedance response of the stabilized transistor were extracted. Under the design principle of fully absorbing the parasitic parameters of the device, explicit formulas and tabulated methods related to the Chebyshev impedance transformer were applied to construct filter-based synthesized matching networks at each stage and finally convert them into an implementable mixed-element form via the single-frequency equivalence technique. Measured on-wafer pulsed results for the proposed two-stage DA across 24–30 GHz demonstrated up to 31.1 dBm of saturated output power (Psat) with less than 1 dB total fluctuation, 19.3 ± 1 dB of small-signal gain, and 39.8% of peak power-added efficiency (PAE) at the mid-frequency.
Femtosecond Laser Cutting of 110–550 µm Thickness Borosilicate Glass in Ambient Air and Water
Authors: Markauskas Edgaras , Zubauskas Laimis , Račiukaitis Gediminas , Gečys Paulius
Published: January 2023

The cutting quality and strength of strips cut with femtosecond-duration pulses were investigated for different thicknesses of borosilicate glass plates. The laser pulse duration was 350 fs, and cutting was performed in two environments: ambient air and water. When cutting in water, a thin flowing layer of water was formed at the front surface of the glass plate by spraying water mist next to a laser ablation zone. The energy of pulses greatly exceeded the critical self-focusing threshold in water, creating conditions favorable for laser beam filament formation. Laser cutting parameters were individually optimized for different glass thicknesses (110–550 µm). The results revealed that laser cutting of borosilicate glass in water is favorable for thicker glass (300–550 µm) thanks to higher cutting quality, higher effective cutting speed, and characteristic strength. On the other hand, cutting ultrathin glass plates (110 µm thickness) demonstrated almost identical performance and cutting quality results in both environments. In this paper, we studied cut-edge defect widths, cut-sidewall roughness, cutting throughput, characteristic strength, and band-like damage formed at the back surface of laser-cut glass strips.
Influence of Polyvinylpyrrolidone on Thermoelectric Properties of Melt-Mixed Polymer/Carbon Nanotube Composites
Authors: Krause Beate , Imhoff Sarah , Voit Brigitte , Pötschke Petra
Published: January 2023

For thermoelectric applications, both p- and n-type semi-conductive materials are combined. In melt-mixed composites based on thermoplastic polymers and carbon nanotubes, usually the p-type with a positive Seebeck coefficient (S) is present. One way to produce composites with a negative Seebeck coefficient is to add further additives. In the present study, for the first time, the combination of single-walled carbon nanotubes (SWCNTs) with polyvinylpyrrolidone (PVP) in melt-mixed composites is investigated. Polycarbonate (PC), poly(butylene terephthalate) (PBT), and poly(ether ether ketone) (PEEK) filled with SWCNTs and PVP were melt-mixed in small scales and thermoelectric properties of compression moulded plates were studied. It could be shown that a switch in the S-value from positive to negative values was only possible for PC composites. The addition of 5 wt% PVP shifted the S-value from 37.8 µV/K to −31.5 µV/K (2 wt% SWCNT). For PBT as a matrix, a decrease in the Seebeck coefficient from 59.4 µV/K to 8.0 µV/K (8 wt% PVP, 2 wt% SWCNT) could be found. In PEEK-based composites, the S-value increased slightly with the PVP content from 48.0 µV/K up to 54.3 µV/K (3 wt% PVP, 1 wt% SWCNT). In addition, the long-term stability of the composites was studied. Unfortunately, the achieved properties were not stable over a storage time of 6 or 18 months. Thus, in summary, PVP is not suitable for producing long-term stable, melt-mixed n-type SWCNT composites.
Long-Term Degradation Evaluation of the Mismatch of Sensitive Capacitance in MEMS Accelerometers
Authors: Huang Xinlong , Dong Xianshan , Du Guizhen , Hu Youwang
Published: January 2023

During long-term use, MEMS accelerometers will experience degradation, such as bias and scale factor changes. Bias of MEMS capacitive accelerometers usually comes from the mismatch of parasitic capacitance and sensitive capacitance. This paper focuses on the mismatch of sensitive capacitance and analyzes the mechanism of long-term degradation of MEMS accelerometers. Firstly, the effect of sensitive capacitance mismatch on the performance of a MEMS accelerometer was investigated. Secondly, a method of measuring the mismatch of sensitive capacitance was proposed, and the validation experiment shows that the accuracy of this measurement can be less than 1.10×10−5 of the sensitive capacitance. For the samples in this experiment, the measurement error of this method can be less than 0.36 fF. Finally, a high-temperature acceleration experiment was performed. The mismatch of the sensitive capacitance during the experiment was monitored based on the proposed method, and the experimental results are analyzed. The experimental result demonstrates that the mismatch of sensitive capacitance varies linearly with time. The change rates of sensitive capacitance mismatch for the two samples are 2.95×10−7 C0/h and 2.66×10−7 C0/h in the high-temperature acceleration experiment at 145 °C, respectively. The change in sensitive capacitance mismatch seems small, but it is not to be ignored during long-term use. The rate of change is similar for the same batch of samples. This could imply that the adverse effects due to the mismatch of sensitive capacitance changes can be reduced by compensating for this variation.
Interrupted Nef and Meyer Reactions: A Growing Point for Diversity-Oriented Synthesis Based on Nitro Compounds
Authors: Sukhorukov Alexey Yu.
Published: January 2023

The Nef reaction (nitro to carbonyl group conversion) and related Meyer reaction are among the key transformations of aliphatic nitro compounds. The interrupted versions of these reactions in which the normal pathway is redirected to a different end product by an external nucleophile are much less common, albeit these processes substantially increase the synthetic potential of nitro compounds. In this review, examples of interrupted Nef and Meyer reactions are summarized, and the prospects of this methodology in diversity-oriented organic synthesis are analyzed. The bibliography contains 90 references.
Synthesis and Molecular Docking of Some Novel 3-Thiazolyl-Coumarins as Inhibitors of VEGFR-2 Kinase
Authors: Abolibda Tariq Z. , Fathalla Maher , Farag Basant , Zaki Magdi E. A. , Gomha Sobhi M.
Published: January 2023

One crucial strategy for the treatment of breast cancer involves focusing on the Vascular Endothelial Growth Factor Receptor (VEGFR-2) signaling system. Consequently, the development of new (VEGFR-2) inhibitors is of the utmost importance. In this study, novel 3-thiazolhydrazinylcoumarins were designed and synthesized via the reaction of phenylazoacetylcoumarin with various hydrazonoyl halides and α-bromoketones. By using elemental and spectral analysis data (IR, 1H-NMR, 13C-NMR, and Mass), the ascribed structures for all newly synthesized compounds were clarified, and the mechanisms underlying their formation were delineated. The molecular docking studies of the resulting 6-(phenyldiazenyl)-2H-chromen-2-one (3, 6a–e, 10a–c and 12a–c) derivatives were assessed against VEGFR-2 and demonstrated comparable activities to that of Sorafenib (approved medicine) with compounds 6d and 6b showing the highest binding scores (−9.900 and −9.819 kcal/mol, respectively). The cytotoxicity of the most active thiazole derivatives 6d, 6b, 6c, 10c and 10a were investigated for their human breast cancer (MCF-7) cell line and normal cell line LLC-Mk2 using MTT assay and Sorafenib as the reference drug. The results revealed that compounds 6d and 6b exhibited greater anticancer activities (IC50 = 10.5 ± 0.71 and 11.2 ± 0.80 μM, respectively) than the Sorafenib reference drug (IC50 = 5.10 ± 0.49 μM). Therefore, the present study demonstrated that thiazolyl coumarins are potential (VEGFR-2) inhibitors and pave the way for the synthesis of additional libraries based on the reported scaffold, which could eventually lead to the development of efficient treatment for breast cancer.
Emerging TACnology: Heterobifunctional Small Molecule Inducers of Targeted Posttranslational Protein Modifications
Authors: Heitel Pascal
Published: January 2023

Posttranslational modifications (PTMs) play an important role in cell signaling and they are often deregulated in disease. This review addresses recent advances in the development of heterobifunctional small molecules that enable targeting or hijacking PTMs. This emerging field is spearheaded by proteolysis-targeting chimeras (PROTACs), that induce ubiquitination of their targets and, thus, tag them for degradation by the proteasome. Within the last decade, several improvements have been made to enhance spatiotemporal control of PROTAC-induced degradation as well as cell permeability. Inspired by the success story of PROTACs, additional concepts based on chimeric small molecules have emerged such as phosphatase-recruiting chimeras (PhoRCs). Herein, an overview of strategies causing (de-)phosphorylation, deubiquitination as well as acetylation is provided, and the opportunities and challenges of heterobifunctional molecules for drug discovery are highlighted. Although significant progress has been achieved, a plethora of PTMs have not yet been covered and PTM-inducing chimeras will be helpful tools for chemical biology and could even find application in pharmacotherapy.
Edible Insects an Alternative Nutritional Source of Bioactive Compounds: A Review
Authors: Aiello Donatella , Barbera Marcella , Bongiorno David , Cammarata Matteo , Censi Valentina , Indelicato Serena , Mazzotti Fabio , Napoli Anna , Piazzese Daniela , Saiano Filippo
Published: January 2023

Edible insects have the potential to become one of the major future foods. In fact, they can be considered cheap, highly nutritious, and healthy food sources. International agencies, such as the Food and Agriculture Organization (FAO), have focused their attention on the consumption of edible insects, in particular, regarding their nutritional value and possible biological, toxicological, and allergenic risks, wishing the development of analytical methods to verify the authenticity, quality, and safety of insect-based products. Edible insects are rich in proteins, fats, fiber, vitamins, and minerals but also seem to contain large amounts of polyphenols able to have a key role in specific bioactivities. Therefore, this review is an overview of the potential of edible insects as a source of bioactive compounds, such as polyphenols, that can be a function of diet but also related to insect chemical defense. Currently, insect phenolic compounds have mostly been assayed for their antioxidant bioactivity; however, they also exert other activities, such as anti-inflammatory and anticancer activity, antityrosinase, antigenotoxic, and pancreatic lipase inhibitory activities.
Lipidomic Analysis to Assess the Correlation between Ceramides, Stress Hyperglycemia, and HbA1c in Acute Myocardial Infarction
Authors: Gaggini Melania , Michelucci Elena , Ndreu Rudina , Rocchiccioli Silvia , Chatzianagnostou Kyriazoula , Berti Sergio , Vassalle Cristina
Published: January 2023

Ceramides have been associated with cardiometabolic disease (e.g., acute myocardial infarction (AMI) and type 2 diabetes (T2D)) and adverse outcomes. Acute admission hyperglycemia (AH) is a transient glucose alteration in response to stress. As glycated hemoglobin (HbA1c) reflects the glycemia over a longer period of time, its use may be helpful in distinguishing between the AH and hyperglycemia associated with T2D in the AMI setting. The aim was to assess the correlation of ceramides with both AH (defined as an admission glucose level ≥140 mg/dL in the absence of T2D) and HbA1c-T2D and other demographic, clinical, and inflammatory-related biomarkers in AMI. High-performance liquid chromatography–tandem mass spectrometry was used to identify nine ceramide species, and their three ratios, in 140 AMI patients (FTGM coronary unit, Massa, Italy). The ceramides did not correlate with stress hyperglycemia, but specific species were elevated in T2D-AMI. Moreover, some ceramides were associated with other cardiometabolic risk factors. Ceramides assessment may be helpful in better understanding the pathogenic molecular mechanisms underlying myocardial acute events and cardiometabolic risk, as a basis for the future evaluation of their role as prognostic predictors and therapeutic targets in T2D-AMI patients.
Influence of Dietary n-3 Long Chain Polyunsaturated Fatty Acid Intake on Oxylipins in Erythrocytes of Women with Rheumatoid Arthritis
Authors: Lindqvist Helen M. , Winkvist Anna , Gjertsson Inger , Calder Philip C. , Armando Aaron M. , Quehenberger Oswald , Coras Roxana , Guma Monica
Published: January 2023

Oxylipins derived from n-3 fatty acids are suggested as the link between these fatty acids and reduced inflammation. The aim of the present study was to explore the effect of a randomized controlled cross-over intervention on oxylipin patterns in erythrocytes. Twenty-three women with rheumatoid arthritis completed 2 × 11-weeks exchanging one cooked meal per day, 5 days a week, for a meal including 75 g blue mussels (source for n-3 fatty acids) or 75 g meat. Erythrocyte oxylipins were quantified by liquid chromatography–tandem mass spectrometry (LC–MS/MS). The results were analyzed with multivariate data analysis. Orthogonal projections to latent structures (OPLS) with effect projections and with discriminant analysis were performed to compare the two diets’ effects on oxylipins. Wilcoxon signed rank test was used to test pre and post values for each dietary period as well as post blue-mussel vs. post meat. The blue-mussel diet led to significant changes in a few oxylipins from the precursor fatty acids arachidonic acid and dihomo-ɣ-linolenic acid. Despite significant changes in eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) and free EPA in erythrocytes in the mussel group, no concurrent changes in their oxylipins were seen. Further research is needed to study the link between n-3 fatty-acid intake, blood oxylipins, and inflammation.
Solving an Old Puzzle: Elucidation and Evaluation of the Binding Mode of Salvinorin A at the Kappa Opioid Receptor
Authors: Puls Kristina , Wolber Gerhard
Published: January 2023

The natural product Salvinorin A (SalA) was the first nitrogen-lacking agonist discovered for the opioid receptors and exhibits high selectivity for the kappa opioid receptor (KOR) turning SalA into a promising analgesic to overcome the current opioid crisis. Since SalA’s suffers from poor pharmacokinetic properties, particularly the absence of gastrointestinal bioavailability, fast metabolic inactivation, and subsequent short duration of action, the rational design of new tailored analogs with improved clinical usability is highly desired. Despite being known for decades, the binding mode of SalA within the KOR remains elusive as several conflicting binding modes of SalA were proposed hindering the rational design of new analgesics. In this study, we rationally determined the binding mode of SalA to the active state KOR by in silico experiments (docking, molecular dynamics simulations, dynophores) in the context of all available mutagenesis studies and structure-activity relationship (SAR) data. To the best of our knowledge, this is the first comprehensive evaluation of SalA’s binding mode since the determination of the active state KOR crystal structure. SalA binds above the morphinan binding site with its furan pointing toward the intracellular core while the C2-acetoxy group is oriented toward the extracellular loop 2 (ECL2). SalA is solely stabilized within the binding pocket by hydrogen bonds (C210ECL2, Y3127.35, Y3137.36) and hydrophobic contacts (V1182.63, I1393.33, I2946.55, I3167.39). With the disruption of this interaction pattern or the establishment of additional interactions within the binding site, we were able to rationalize the experimental data for selected analogs. We surmise the C2-substituent interactions as important for SalA and its analogs to be experimentally active, albeit with moderate frequency within MD simulations of SalA. We further identified the non-conserved residues 2.63, 7.35, and 7.36 responsible for the KOR subtype selectivity of SalA. We are confident that the elucidation of the SalA binding mode will promote the understanding of KOR activation and facilitate the development of novel analgesics that are urgently needed.
Effective Usage of Biochar and Microorganisms for the Removal of Heavy Metal Ions and Pesticides
Authors: Manikandan Soumya K. , Pallavi Pratyasha , Shetty Krishan , Bhattacharjee Debalina , Giannakoudakis Dimitrios A. , Katsoyiannis Ioannis A. , Nair Vaishakh
Published: January 2023

The bioremediation of heavy metal ions and pesticides is both cost-effective and environmentally friendly. Microbial remediation is considered superior to conventional abiotic remediation processes, due to its cost-effectiveness, decrement of biological and chemical sludge, selectivity toward specific metal ions, and high removal efficiency in dilute effluents. Immobilization technology using biochar as a carrier is one important approach for advancing microbial remediation. This article provides an overview of biochar-based materials, including their design and production strategies, physicochemical properties, and applications as adsorbents and support for microorganisms. Microorganisms that can cope with the various heavy metal ions and/or pesticides that enter the environment are also outlined in this review. Pesticide and heavy metal bioremediation can be influenced by microbial activity, pollutant bioavailability, and environmental factors, such as pH and temperature. Furthermore, by elucidating the interaction mechanisms, this paper summarizes the microbe-mediated remediation of heavy metals and pesticides. In this review, we also compile and discuss those works focusing on the study of various bioremediation strategies utilizing biochar and microorganisms and how the immobilized bacteria on biochar contribute to the improvement of bioremediation strategies. There is also a summary of the sources and harmful effects of pesticides and heavy metals. Finally, based on the research described above, this study outlines the future scope of this field.
Synthesis, Optical Properties, and Fluorescence Cell Imaging of Novel Mixed Fluorinated Subphthalocyanines
Authors: Zhou Shutong , Lv Xiaojuan , Li Minghui , Gao Zijian , Tu Shengnan , Qiao Shanshan , Mo Mengjia , Tang Xu , Wang Yemei , Sun Shasha
Published: January 2023

Subphthalocyanines (SubPcs) are a kind of tripyrrolic macrocycle with a boron atom at their core. Incorporating different units onto the SubPc periphery can endow them with various unique properties. Herein, a series of novel fluorinated low-symmetry SubPc derivatives containing chlorine groups (F8-Cl4-SubPc, F4-Cl8-SubPc) and methoxy groups (F8-(OCH3)2-SubPc) were synthesized and characterized by spectral methods (MS, FT-IR, 1H, 13C, 11B, and 19F NMR spectroscopy), and the effect of the peripheral substituents on their electronic structure of low-symmetry macrocycle was investigated by cyclic voltammetry, theoretical calculation, electronic absorption, and emission spectroscopy. In contrast to perfluorinated SubPcs, these low-symmetry SubPcs revealed non-degenerate LUMO and LUMO + 1 orbitals, especially F8-(OCH3)2-SubPc, which was consistent with the split Q-band absorptions. The cyclic voltammetry revealed that these SubPcs exhibited two or three reduction waves and one oxidation wave, which is consistent with the reported SubPcs. Finally, an intracellular fluorescence imaging study of these compounds revealed that these compounds could enter cancer cells and be entrapped in the lysosomes, which provides a possibility of future applications in lysosome fluorescence imaging and targeting.
Grapefruit Seed Extract-Added Functional Films and Coating for Active Packaging Applications: A Review
Authors: Roy Swarup , Zhang Wanli , Biswas Deblina , Ramakrishnan Rejish , Rhim Jong-Whan
Published: January 2023

Recently, consumers have been increasingly inclined towards natural antimicrobials and antioxidants in food processing and packaging. Several bioactive compounds have originated from natural sources, and among them, grapefruit seed extract (GSE) is widely accepted and generally safe to use in food. GSE is a very commonly used antimicrobial in food; lately, it has also been found very effective as a coating material or in edible packaging films. A lot of recent work reports the use of GSE in food packaging applications to ensure food quality and safety; therefore, this work intended to provide an up-to-date review of GSE-based packaging. This review discusses GSE, its extraction methods, and their use in manufacturing food packaging film/coatings. Various physical and functional properties of GSE-added film were also discussed. This review also provides the food preservation application of GSE-incorporated film and coating. Lastly, the opportunities, challenges, and perspectives in the GSE-added packaging film/coating are also debated.
Hydrogen Bond Dynamics and Phase Transitions of Water inside Carbon Nanotubes
Authors: Srivastava Amit , Hassan Jamal , Homouz Dirar
Published: January 2023

Water dynamics in nanochannels are altered by confinement, particularly in small carbon nanotubes (CNTs). However, the mechanisms behind these effects remain unclear. To address these issues, we carried out extensive molecular dynamics (MD) simulations to investigate the structure and dynamics of water inside CNTs of different sizes (length of 20 nm and diameters vary from 0.8 nm to 5.0 nm) at different temperatures (from 200 K to 420 K). The radial density profile of water inside CNTs shows a single peak near the CNT walls for small nanotubes. For CNTs with larger sizes, water molecules are arranged into coaxial tubular sheets, the number of which increases with the CNT size. Subdiffusive behavior is observed for ultranarrow CNTs with diameters of 0.8 nm and 1 nm. As the size of CNTs increases, Fickian diffusion becomes evident. The hydrogen bond correlation function of water inside CNT decays slower than in bulk water, and the decay rate decreases as we increase the diameter of the CNTs. In large CNTs, the hydrogen bond lifetime of the innermost layer is shorter than the other layers and depends on temperature. Additional analysis of our results reveals that water molecules along the CNT axis show a non-Arrhenius to Arrhenius diffusion crossover. In general, the diffusion transition temperature is higher than that of bulk water, but it depends on the size of the CNT.
Optical Sensing of Toxic Cyanide Anions Using Noble Metal Nanomaterials
Authors: Rajamanikandan Ramar , Sasikumar Kandasamy , Kosame Saikiran , Ju Heongkyu
Published: January 2023

Water toxicity, one of the major concerns for ecosystems and the health of humanity, is usually attributed to inorganic anions-induced contamination. Particularly, cyanide ions are considered one of the most harmful elements required to be monitored in water. The need for cyanide sensing and monitoring has tempted the development of sensing technologies without highly sophisticated instruments or highly skilled operations for the objective of in-situ monitoring. Recent decades have witnessed the growth of noble metal nanomaterials-based sensors for detecting cyanide ions quantitatively as nanoscience and nanotechnologies advance to allow nanoscale-inherent physicochemical properties to be exploited for sensing performance. Particularly, noble metal nanostructure e-based optical sensors have permitted cyanide ions of nanomolar levels, or even lower, to be detectable. This capability lends itself to analytical application in the quantitative detection of harmful elements in environmental water samples. This review covers the noble metal nanomaterials-based sensors for cyanide ions detection developed in a variety of approaches, such as those based on colorimetry, fluorescence, Rayleigh scattering (RS), and surface-enhanced Raman scattering (SERS). Additionally, major challenges associated with these nano-platforms are also addressed, while future perspectives are given with directions towards resolving these issues.