bluuebunny/crossref_metadata_2025 huggingface dataset:
Advanced Model with a Trajectory Tracking Stabilisation System and Feasible Solution of the Optimal Control Problem
Authors: Diveev Askhat , Sofronova Elena , Konyrbaev Nurbek , Abdullayev Oralbek
Published: October 2024

In this study, we consider the extended optimal control problem and search for a control function in the class of feasible functions for a real control object. Unlike the classical optimal control problem, the control function should depend on the state, not time. Therefore, the control synthesis problem for the initial-state domain should be solved, instead of the optimal control problem with one initial state. Alternatively, an optimal trajectory motion stabilisation system may be constructed. Both approaches—control and trajectory motion stabilisation system syntheses—cannot be applied to real-time control, as the task is too complex. The minimum threshold of quality criteria is searched for in the space of mathematical expression codes. Among other problems, the search space is difficult to define and the gradient is hard to determine. Therefore, the advanced control object model is used to obtain a feasible control function. The advanced model is firstly obtained before solving the optimal control problem and it already includes a trajectory motion stabilisation system; in particular, this stabilisation system is synthesised in advance at the control system design stage. When the optimal control problem appears, it is solved in real time in the classical statement, and a control function is searched for as a function of time. The advanced control object model also uses the reference model to generate the optimal trajectory. The search for the optimal control function is performed in real time and considers the synthesised stabilisation system of motion along a determined trajectory. Machine learning control via symbolic regression, namely, the network operator method, is used to directly solve the control synthesis problem. An example solution of the optimal control problem, with an advanced model moving in the environment with obstacles for a group of two mobile robots, is presented. The obtained solution is a control function for a reference model that generates a trajectory from a class of trajectories stabilised with the object’s control system.
Optimizing Taxi-Pooling Operations to Enhance Efficiency and Revenue: A Queuing Model Approach
Authors: Wang Chaojun , Wang Jingwei , Zhang Yi , Malenje Jairus Odawa , Han Yin
Published: October 2024

This study investigates the optimization of taxi-pooling operations using the M/M/1/m queuing model, aiming to enhance efficiency and revenue for taxi service platforms. Traditional taxi operations face challenges during peak periods, including inefficiency and increased operational costs. Taxi-pooling, by accommodating multiple passengers with similar travel demands, offers a solution that reduces travel costs, operational expenses, and urban congestion. The study develops an optimization model to balance operational costs and passenger waiting times, identifying the utilization rate of taxis as a critical factor in platform revenue. By modeling the taxi-pooling service as a queuing system, we derive mathematical expressions for passenger waiting times and platform revenue under varying conditions. Our findings highlight the importance of optimal vehicle investment strategies and pricing decisions to maximize revenue. The study provides theoretical support for improving taxi-pooling platforms’ efficiency and competitiveness, contributing to better urban transportation solutions.
Mathematical Analysis of Four Fundamental Epidemiological Models for Monkeypox Disease Outbreaks: On the Pivotal Role of Human–Animal Order Parameters—In Memory of Hermann Haken
Authors: Frank Till D.
Published: October 2024

Four fundamental models that describe the spread of Monkeypox disease are analyzed: the SIR-SIR, SEIR-SIR, SIR-SEIR, and SEIR-SEIR models. They form the basis of most Monkeypox diseases models that are currently discussed in the literature. It is shown that the way the model subpopulations are organized in disease outbreaks and evolve relative to each other is determined by the relevant unstable system eigenvectors, also called order parameters. For all models, analytical expressions of the order parameters are derived. Under appropriate conditions these order parameters describe the initial outbreak phases of exponential increase in good approximation. It is shown that all four models exhibit maximally two order parameters and maximally one human–animal order parameter. The human–animal order parameter firmly connects the outbreak dynamics in the animal system with the dynamics in the human system. For the special case of the SIR-SIR model, it is found that the two possible order parameters completely describe the dynamics of infected humans and animals during entire infection waves. Finally, a simulation of a Monkeypox infection wave illustrates that in line with the aforementioned analytical results the leading order parameter explains most of the variance in the infection dynamics.
A New Hybrid Improved Arithmetic Optimization Algorithm for Solving Global and Engineering Optimization Problems
Authors: Zhang Yalong , Xing Lining
Published: October 2024

The Arithmetic Optimization Algorithm (AOA) is a novel metaheuristic inspired by mathematical arithmetic operators. Due to its simple structure and flexible parameter adjustment, the AOA has been applied to solve various engineering problems. However, the AOA still faces challenges such as poor exploitation ability and a tendency to fall into local optima, especially in complex, high-dimensional problems. In this paper, we propose a Hybrid Improved Arithmetic Optimization Algorithm (HIAOA) to address the issues of susceptibility to local optima in AOAs. First, grey wolf optimization is incorporated into the AOAs, where the group hunting behavior of GWO allows multiple individuals to perform local searches at the same time, enabling the solution to be more finely tuned and avoiding over-concentration in a particular region, which can improve the exploitation capability of the AOA. Second, at the end of each AOA run, the follower mechanism and the Cauchy mutation operation of the Sparrow Search Algorithm are selected with the same probability and perturbed to enhance the ability of the AOA to escape from the local optimum. The overall performance of the improved algorithm is assessed by selecting 23 benchmark functions and using the Wilcoxon rank-sum test. The results of the HIAOA are compared with other intelligent optimization algorithms. Furthermore, the HIAOA can also solve three engineering design problems successfully, demonstrating its competitiveness. According to the experimental results, the HIAOA has better test results than the comparator.
The Impact of Negative Energy Balance in Holstein-Friesian Cows on the Blood Concentrations of Interleukin-6 and Plasminogen
Authors: Wnorowska Kalina , Młynek Krzysztof , Puppel Kamila
Published: October 2024

Background/Objectives: The negative energy balance activaties of spontaneous lipolysis. This may promotes inflammation within the adipose tissue. The aim of the study was to explain the development of inflammation during increased lactogenesis. It was hypothesized that lipolysis contributes synthesis of interleukin-6 and plasminogen. Methods: The study was in production conditions carried out using Holstein-Friesian cows. The period studied covered time of early lactation. Results: Up to the peak of lactation, milk yield strongly influenced the rate of loss of body condition. This had an impact on with the intensity of the release of the fatty acids. In both cases this relationships strengthened to the peak of production. Oobserved tendencies towards a decrease in the concentration of glucose and an increase in that of leptin. Loss of the body condition and the release of NEFA were were influencing to affect the blood concentrations of interleukin-6 and plasminogen. We have shown that IL-6 has a relatively strong correlation with the NEFA. They correlate with IL-6 independently of EB influence. This may suggest independent associations between these variables, which could potentially be applied in practice. Conclusions: The NEFA release in the long term can increase the inflammatory response within adipose tissue and can intensify the release of interleukin-6 and plasminogen. It is likely that in the initial stage of lactogenesis, the inflammatory process developing within adipose tissue is physiologically justified. Our results can provide background to this little-described area of research.
Thiol-SAM Concentration Effect on the Performance of Interdigitated Electrode-Based Redox-Free Biosensors
Authors: Assaifan Abdulaziz K.
Published: October 2024

Despite the direct, redox-free and simple detection non-faradaic impedimetric biosensors offer, considerable optimizations are required to enhance their performance for the detection of various biomarkers. Non-faradaic EIS sensors’ performance depends on the interfacial capacitance between a polarized biosensor surface and the tested sample solution. Careful engineering and design of the interfacial capacitance is encouraged to magnify the redout signal upon bioreceptor–antigen interactions. One of the methods to achieve this goal is by optimizing the self-assembled monolayer concentration, which has not been reported for non-faradaic impedimetric sensors. Here, the impact of alkanethiolate (cysteamine) concentration on the performance of gold (Au) interdigitated electrode (Au-IDE) biosensors is reported. Six sets of biosensors were prepared, each with a different cysteamine concentration: 100 nM, 1 μM, 10 μM, 100 μM, 1 mM, and 10 mM. The biosensors were prepared for the direct detection of LDL cholesterol by attaching LDL antibodies on top of the cysteamine via a glutaraldehyde cross-linker. As the concentration of cysteamine increased from 100 nM to 100 μM, the sensitivity of the biosensor increased from 6.7 to 16.2 nF/ln (ng/mL). As the cysteamine concentration increased from 100 μM to 10 mM, the sensitivity deteriorated. The limit of detection (LoD) of the biosensor improved as the cysteamine increased from 100 nM to 100 μM (i.e., 400 ng/mL to 59 pg/mL). However, the LoD started to increase to 67 pg/mL and 16 ng/mL for 1 mM and 10 mM cysteamine concentrations, respectively. This shows that the cysteamine concentration has a detrimental effect on redox-free biosensors. The cysteamine layer has to be as thin as possible and uniformly cover the electrode surfaces to maximize positive readout signals and reduce negative signals, significantly improving both sensitivity and LoD.
Capnocytophaga canimorsus Endocarditis Presenting with Leukocytoclastic Vasculitis and Glomerulonephritis
Authors: Chandramohan Divya , Soni Nilam J. , Awobajo-Otesanya Moyosore , Stilson Terrence , Son Min Ji , Vinas Ariel , Kanakia Rushit , Soni Riya N. , Restrepo Marcos I. , Anstead Gregory M.
Published: October 2024

Capnocytophaga canimorsus is a gram-negative bacterium commonly found in the saliva of dogs and cats. Despite the frequency of animal bites, infection with Capnocytophaga species is rare, and severe infections are usually associated with underlying risk factors, such as alcohol use disorder, asplenia, or immunosuppression. We describe a case of a man who presented with a purpuric rash, lower extremity edema, and acute renal failure and was found to have tricuspid valve endocarditis and infection-associated glomerulonephritis due to C. canimorsus. Despite treatment with cefepime, the vegetation increased in size and valvular function worsened. He was readmitted with an inferior wall myocardial infarction, heart failure, and pulmonary embolism. He underwent an urgent tricuspid valve replacement with a bioprosthetic valve. A 16S ribosomal RNA amplicon sequencing performed on the resected valve tissue verified involvement of C. canimorsus. Post-operatively, he had several episodes of gastrointestinal hemorrhage requiring multiple endoscopic interventions and arterial embolization. The recurrent gastrointestinal hemorrhage combined with his severe functional decline ultimately led to his death. This patient had an uncommon presentation with leukocytoclastic vasculitis and infection-associated glomerulonephritis, which revealed an underlying diagnosis of infective endocarditis due to C. canimorsus, a rare gram-negative bacterial etiology of infective endocarditis.
Chromium Immobilization as Cr-Spinel by Regulation of Fe(II) and Fe(III) Concentrations
Authors: Hua Tianci , Li Yanzhang , Hou Bingxu , Du Yimei , Lu Anhuai , Li Yan
Published: October 2024

The complex environmental conditions at Cr-contaminated sites, characterized by uneven ion distribution, oxidants competition, and limited solid-phase mobility, lead to inadequate mixing of Fe-based reducing agents with Cr, posing significant challenges to the effectiveness of Cr remediation through Cr-spinel precipitation. This study investigates the distinct roles of Fe(II), Fe(III), and Cr(III) in Cr-spinel crystallization under ambient temperature and pressure. X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray absorption near-edge structure spectroscopy, and Mössbauer spectroscopy were employed to elucidate the phase composition, microstructure, and ion coordination within the precipitates. Our findings indicate that Fe(II) acts as a catalyst in the formation of the spinel phase, occupying octahedral sites within the spinel structure. Under the catalytic influence of Fe(II), Fe(III) transitions into the spinel phase, occupying both the tetrahedral and the remaining octahedral sites. Meanwhile, Cr(III), due to its high octahedral site preference energy, preferentially occupies the octahedral sites. When Fe(II) or Fe(III) is present but does not meet the ideal stoichiometric ratio, a deficiency in Fe(II) leads to low yield and poor crystallinity of Cr-spinel, whereas a deficiency in Fe(III) can completely inhibit its formation. Conversely, when either Fe(II) or Fe(III) is in excess, the formation of Cr-spinel remains feasible. Furthermore, metastable Cr phases can be transformed into stable Cr-spinel by adjusting the Fe(II)/Fe(III)/Cr(III) ratio. These results highlight the broad range of conditions under which Cr-spinel mineralization can occur in environmental settings, enhancing our understanding of the mechanisms driving Cr-spinel formation in Cr-contaminated sites treated with Fe-based reducing agents. This research provides critical insights for optimizing Cr remediation strategies.
Emerging Thermosensitive Probes Based on Triamino-Phenazinium Dyes
Authors: Munteanu Tatiana , Brunel Frédéric , Camplo Michel , Siri Olivier
Published: October 2024

Temperature is an essential physical characteristic that influences all biological processes. Building on previous research on dialkylamino-functionalized rhodamine-based thermo-sensors, we investigate herein the thermosensitive properties of triamino-phenazinium dyes. Through a simple five-step synthetic route, we synthesized amino-phenazinium chromophores 6 and 7, featuring diethylamine substituents at different positions. A comparative analysis of optical properties and thermosensitivity was conducted on these compounds and an isomer, 5, in which butylamine moiety replaced the diethylamine group. The different emissive behaviors of the three fluorophores emphasize that not only the chemical nature but also the specific position of the alkylamine substituent play fundamental roles in the synthesis of highly emissive thermo-probes.
The Potential of Nuclear Pore Complexes in Cancer Therapy
Authors: Zaitsava Hanna , Gachowska Martyna , Bartoszewska Elżbieta , Kmiecik Alicja , Kulbacka Julita
Published: October 2024

Nuclear pore complexes (NPCs) play a critical role in regulating transport-dependent gene expression, influencing various stages of cancer development and progression. Dysregulation of nucleocytoplasmic transport has profound implications, particularly in the context of cancer-associated protein mislocalization. This review provides specific information about the relationship between nuclear pore complexes, key regulatory proteins, and their impact on cancer biology. Highlighting the influence of tumor-suppressor proteins as well as the potential of gold nanoparticles and intelligent nanosystems in cancer treatment, their role in inhibiting cell invasion is examined. This article concludes with the clinical implications of nuclear export inhibitors, particularly XPO1, as a therapeutic target in various cancers, with selective inhibitors of nuclear export compounds demonstrating efficacy in both hematological and solid malignancies. The review aims to explore the role of NPCs in cancer biology, focusing on their influence on gene expression, cancer progression, protein mislocalization, and the potential of targeted therapies such as nuclear export inhibitors and intelligent nanosystems in cancer treatment. Despite their significance and the number of research studies, the direct role of NPCs in carcinogenesis remains incompletely understood.
Outer Membrane Vesicles Formed by Clinical Proteus mirabilis Strains May Be Incorporated into the Outer Membrane of Other P. mirabilis Cells and Demonstrate Lytic Properties
Authors: Szczerbiec Dominika , Glińska Sława , Kamińska Justyna , Drzewiecka Dominika
Published: October 2024

Outer membrane vesicles (OMVs) are extracellular structures, ranging in size from 10 to 300 nm, produced by Gram-negative bacteria. They can be incorporated into the outer membrane of a recipient’s cells, which may enable the transfer of substances with lytic properties. Due to the scarce information regarding the OMVs produced by Proteus mirabilis, the aim of this study was to test the blebbing abilities of the clinical P. mirabilis O77 and O78 strains and to determine the blebs’ interactions with bacterial cells, including their possible bactericidal activities. The production of OMVs was visualised by Transmission electron microscopy (TEM). The presence of OMVs in the obtained samples as well as the phenomenon of OMV fusion to recipient cells were confirmed by Enzyme-Linked ImmunoSorbent Assay (ELISA) and Western blotting assays. The bacteriolytic activity of the OMVs was examined against P. mirabilis clinical strains and reference Staphylococcus aureus and Escherichia coli strains. It was shown that each of the two tested P. mirabilis strains could produce OMVs which were able to fuse into the cells of the other strain. The lytic properties of the O78 OMVs against another P. mirabilis O78 strain were also demonstrated. This promising result may help in the future to better understand the mechanisms of the pathogenesis and to treat the infections caused by P. mirabilis.
Correction: Fan et al. Progress in the Preclinical and Clinical Study of Resveratrol for Vascular Metabolic Disease. Molecules 2022, 27, 7524
Authors: Fan Dongxiao , Liu Chenshu , Zhang Zhongyu , Huang Kan , Wang Tengyao , Chen Sifan , Li Zilun
Published: October 2024

Text Correction [...]
Olive Oil Industry By-Products as a Novel Source of Biophenols with a Promising Role in Alzheimer Disease Prevention
Authors: Gonçalves Marta , Costa Marlene , Paiva-Martins Fátima , Silva Paula
Published: October 2024

This review explores the potential health benefits and applications of phenolic secoiridoids derived from olive oil by-products in the prevention of Alzheimer’s disease (AD). As reviewed herein, polyphenols, such as epigallocatechin-3-gallate, epicatechin, and resveratrol, show in vitro and in vivo antioxidant, anti-inflammatory, and neuroprotective properties, and are particularly relevant in the context of AD, a leading cause of dementia globally. The olive oil industry, particularly in the Mediterranean region, produces significant amounts of waste, including leaves, pomace, and wastewater, which pose environmental challenges but also offer an untapped source of bioactive compounds. Despite promising in vitro and in vivo studies indicating that olive-derived polyphenols, such as oleuropein and hydroxytyrosol, may mitigate AD pathology, human clinical trials remain limited. The variability in extraction methods and the complex nature of AD further complicate research. Future studies should focus on standardizing the protocols and conducting robust clinical trials to fully assess the therapeutic potential of these compounds. This approach not only supports the development of new treatments for AD but also promotes environmental sustainability by valorizing olive oil industry waste.
Reversible Photochromic Reactions of Bacteriorhodopsin from Halobacterium salinarum at Femto- and Picosecond Times
Authors: Smitienko Olga , Feldman Tatyana , Shelaev Ivan , Gostev Fedor , Aybush Arseniy , Cherepanov Dmitry , Nadtochenko Victor , Ostrovsky Mikhail
Published: October 2024

The operation of bacteriorhodopsin (BR) from the archaeon Halobacterium salinarum is based on the photochromic reaction of isomerization of the chromophore group (the retinal protonated Schiff base, RPSB) from the all-trans to the 13-cis form. The ultrafast dynamics of the reverse 13-cis → all-trans photoreaction was studied using femtosecond transient absorption spectroscopy in comparison with the forward photoreaction. The forward photoreaction was initiated by photoexcitation of BR by pulse I (540 nm). The reverse photoreaction was initiated by photoexcitation of the product K590 at an early stage of its formation (5 ps) by pulse II (660 nm). The conversion of the excited K590 to the ground state proceeds at times of 0.19, 1.1, and 16 ps with the relative contributions of ~20/60/20, respectively. All these decay channels lead to the formation of the initial state of BR as a product with a quantum yield of ~1. This state is preceded by vibrationally excited intermediates, the relaxation of which occurs in the 16 ps time range. Likely, the heterogeneity of the excited state of K590 is determined by the heterogeneity of its chromophore center. The forward photoreaction includes two components—0.52 and 3.5 ps, with the relative contributions of 91/9, respectively. The reverse photoreaction initiated from K590 proceeds more efficiently in the conical intersection (CI) region but on the whole at a lower rate compared to the forward photoreaction, due to significant heterogeneity of the potential energy surface.
Identification of the Hypoglycemic Active Components of Lonicera japonica Thunb. and Lonicera hypoglauca Miq. by UPLC-Q-TOF-MS
Authors: Wu Qinxuan , Zhao Di , Leng Ying , Chen Canhui , Xiao Kunyu , Wu Zhaoquan , Chen Fengming
Published: October 2024

Lonicera japonica Thunb. and Lonicera hypoglauca are famous Chinese medicines used for hyperglycemia; however, the specific compounds that contributed to the hypoglycemic activity and mechanism are still unknown. In this study, the antidiabetic activity of L. japonica buds and L. hypoglauca buds, roots, stems, and leaves extracts was primarily evaluated, and the L. japonica buds and L. hypoglauca buds, roots, and stems extracts displayed significant hypoglycemic activity, especially for the buds of L. hypoglauca. A total of 72 high-level compounds, including 9 iridoid glycosides, 12 flavonoids, 34 organic acids, and 17 saponins, were identified by ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) combined with the fragmentation pathways of standards from different parts of L. japonica and L. hypoglauca extracts. Among them, 19 metabolites, including 13 saponins, were reported for the first time from both medicines. Seven high-content compounds identified from L. hypoglauca buds extract were further evaluated for hypoglycemic activity. The result indicated that neochlorogenic acid, chlorogenic acid, isochlorogenic acid A, isochlorogenic acid B, and isochlorogenic acid C displayed significant antidiabetic activity, especially for isochlorogenic acid A and isochlorogenic acid C, which demonstrated that the five chlorogenic-acid-type compounds were the active ingredients of hypoglycemic activity for L. japonica and L. hypoglauca. The potential mechanism of hypoglycemic activity for isochlorogenic acid A and isochlorogenic acid C was inhibiting the intestinal α-glucosidase activity to block the supply of glucose. This study was the first to clarify the hypoglycemic active ingredients and potential mechanism of L. japonica and L. hypoglauca, providing new insights for the comprehensive utilization of both resources and the development of hypoglycemic drugs.
Endophytic Fungus UJ3-2 from Urtica fissa: Antibacterial Activity and Mechanism of Action against Staphylococcus aureus
Authors: Liao Fei , He Jie , Li Renjun , Hu Yanchun
Published: October 2024

Taking the endophytic fungus UJ3-2, isolated from Urtica fissa, as the experimental material, this study aimed to explore the composition of its metabolites and the underlying mechanisms by which it inhibits Staphylococcus aureus. Initially, the MIC, MBC, inhibitory curves, biofilm growth, and extracellular nucleic acids and proteins of S. aureus in response to the metabolites were measured. Secondly, PI staining and SEM were used to evaluate the impact of the metabolites on the integrity of the cell wall and overall morphology of S. aureus. Additionally, UPLC-MS was employed to analyze the composition of the secondary metabolites. The UJ3-2 strain was identified as Xylaria grammica based on ITS sequencing and designated as Xylaria grammica UJ3-2. Our results revealed that the metabolites of UJ3-2 exhibited excellent in vitro antibacterial activity against S. aureus, with both MIC and MBC values of 3.125 mg/mL. The inhibitory curve confirmed that 1 MIC of UJ3-2 metabolites could completely inhibit the growth of S. aureus within 24 h. With increasing concentrations of UJ3-2 metabolites, the growth of S. aureus biofilms was significantly suppressed, and obvious leakage of nucleic acids and proteins was observed. PI fluorescence staining indicated that various concentrations of UJ3-2 metabolites disrupted the integrity of the S. aureus cell membrane. SEM observation revealed that the treated S. aureus surfaces became rough, and the bacteria shrank and adhered to each other, showing a dose-dependent effect. UPLC-MS analysis suggested that the main components of the fermented metabolites were 6-oxocineole (17.92%), (S)-2-acetolactate (9.91%), 3-methyl-cis,cis-muconate (4.36%), and 8-oxogeranial (3.17%). This study demonstrates that the endophytic fungus UJ3-2 exhibits remarkable in vitro antibacterial effects against S. aureus, primarily by enhancing the permeability of the S. aureus cell membrane, causing the leakage of its intracellular contents, and altering the bacterial surface morphology to inhibit the pathogen. The endophytic fungus UJ3-2 has a good antibacterial effect on S. aureus, which gives it certain application prospects in the screening and industrial production of new and efficient natural antibacterial active substances.
Development of Recoverable Magnetic Bimetallic ZIF-67 (Co/Cu) Adsorbent and Its Enhanced Selective Adsorption of Organic Dyes in Wastewater
Authors: Zhang Fuyan , Ma Miaomiao , Li Shuang , Zhou Yuting , Zeng Jian , Huang Meiqi , Sun Qi , Le Tao
Published: October 2024

In the critical domain of wastewater treatment, the development of cost-effective, durable, and recyclable adsorbents with high adsorption capacities remains a significant challenge. This study introduces a novel magnetic bimetallic Metal–Organic Framework (MOF) adsorbent, MZIF-67-Co/Cu, doped with copper ions. The MZIF-67-Co/Cu adsorbent was successfully synthesized and structurally characterized, demonstrating remarkable selectivity for removing methyl orange (MO) from water. This high selectivity is attributed to the adsorbent’s high porosity and Lewis base properties at the coordinating metal ion center. The incorporation of Cu ions significantly enhances the porous architecture and increases the number of metal adsorption sites, leading to an impressive maximum MO adsorption capacity of 39.02 mg/g under optimized conditions (0.5 g/L adsorbent concentration, pH 3.0, 250 rpm agitation speed, adsorption time > 10 min). The adsorption kinetics closely follow the pseudo-second-order model, and the isotherm data fit well with the Langmuir model. The primary adsorption mechanisms involve electrostatic attraction and mesoporous interaction. This study highlights MZIF-67-Co/Cu as a highly efficient adsorbent with magnetic recovery capabilities, positioning it as a promising candidate for addressing critical issues in wastewater treatment.
Cyclization Strategies in Carbonyl–Olefin Metathesis: An Up-to-Date Review
Authors: Zhang Xiaoke
Published: October 2024

The metathesis reaction between carbonyl compounds and olefins has emerged as a potent strategy for facilitating swift functional group interconversion and the construction of intricate organic structures through the creation of novel carbon–carbon double bonds. To date, significant progress has been made in carbonyl–olefin metathesis reactions, where oxetane, pyrazolidine, 1,3-diol, and metal alkylidene have been proved to be key intermediates. Recently, several reviews have been disclosed, focusing on distinct catalytic approaches for achieving carbonyl–olefin metathesis. However, the summarization of cyclization strategies for constructing aromatic heterocyclic frameworks through carbonyl–olefin metathesis reactions has rarely been reported. Consequently, we present an up-to-date review of the cyclization strategies in carbonyl–olefin metathesis, categorizing them into three main groups: the formation of monocyclic compounds, bicyclic compounds, and polycyclic compounds. This review delves into the underlying mechanism, scope, and applications, offering a comprehensive perspective on the current strength and the limitation of this field.
Characterization of Differences in Chemical Profiles and Antioxidant Activities of Schisandra chinensis and Schisandra sphenanthera Based on Multi-Technique Data Fusion
Authors: Lin Lujie , Tang Zhuqian , Xie Huijuan , Yang Lixin , Yang Bin , Li Hua
Published: October 2024

Schisandra chinensis (Turcz.) Baill. (S. chinensis) and Schisandra sphenanthera Rehd. et Wils (S. sphenanthera) are called “Wuweizi” in traditional Chinese medicine, and they have distinct clinical applications. To systematically compare the differential characteristics of S. chinensis and S. sphenanthera, this study employed ultra-performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) and gas chromatography–mass spectrometry (GC-MS) to construct chemical profiles of these two species from different regions. In total, 31 non-volatiles and 37 volatiles were identified in S. chinensis, whereas 40 non-volatiles and 34 volatiles were detected in S. sphenanthera. A multivariate statistical analysis showed that the non-volatiles tigloygomisin P, schisandrol A, schisantherin C, and 6-O-benzoylgomisin O and the volatiles ylangene, γ-muurolene, and β-pinene distinguish these species. Additionally, the metabolism of oxygen free radicals can contribute to the development of various diseases, including cardiovascular and neurodegenerative diseases. Therefore, antioxidant activities were evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2′-azino-bis-3-ethylbenzthiazoline-6-sulphonic acid (ABTS) scavenging assays. The results showed that S. sphenanthera exhibited significantly higher antioxidant potential. A gray relational analysis indicated that the key contributors to the antioxidant activity of S. chinensis were schisandrol A, gomisin G, schisantherin C, pregomisin, gomisin J, and schisantherin B. For S. sphenanthera, the key contributors included gomisin K2, schisantherin B, gomisin J, pregomisin, schisantherin C, schisandrin, gomisin G, schisantherin A, schisanhenol, and α-pinene. The identification of the differential chemical markers and the evaluation of the antioxidant activities provide a foundation for further research into the therapeutic applications of these species. This innovative study provides a robust framework for the quality control and therapeutic application of S. chinensis and S. sphenanthera, offering new insights into their medicinal potential.
Ab Initio Neural Network Potential Energy Surface and Quantum Dynamics Calculations on Na(2S) + H2 → NaH + H Reaction
Authors: Liu Siwen , Cheng Huiying , Cao Furong , Sun Jingchang , Yang Zijiang
Published: October 2024

The collisions between Na atoms and H2 molecules are of great significance in the field of chemical reaction dynamics, but the corresponding dynamics results of ground-state reactions have not been reported experimentally or theoretically. Herein, a global and high-precision potential energy surface (PES) of NaH2 (12A′) is constructed by the neural network model based on 21,873 high-level ab initio points. On the newly constructed PES, the quantum dynamics calculations on the Na(2S) + H2(v0 = 0, j0 = 0) → NaH + H reaction are carried out using the time-dependent wave packet method to study the microscopic reaction mechanism at the state-to-state level. The calculated results show that the low-vibrational products are mainly formed by the dissociation of the triatomic complex; whereas, the direct reaction process dominates the generation of the products with high-vibrational states. The reaction generally follows the direct H-abstraction process, and there is also the short-lived complex-forming mechanism that occurs when the collision energy exceeds the reaction threshold slightly. The PES could be used to further study the stereodynamics effects of isotope substitution and rovibrational excitations on the title reaction, and the presented dynamics data would provide an important reference on the corresponding experimental research at a higher level.
Honeycomb Cell Structures Formed in Drop-Casting CNT Films for Highly Efficient Solar Absorber Applications
Authors: Islam Saiful , Furuta Hiroshi
Published: October 2024

This study investigates the process of using multi-walled carbon nanotube (MWCNT) coatings to enhance lamp heating temperatures for solar thermal absorption applications. The primary focus is studying the effects of the self-organized honeycomb structures of CNTs formed on silicon substrates on different cell area ratios (CARs). The drop-casting process was used to develop honeycomb-structured MWCNT-coated absorbers with varying CAR values ranging from ~60% to 17%. The optical properties were investigated within the visible (400–800 nm) and near-infrared (934–1651 nm) wavelength ranges. Although fully coated MWCNT absorbers showed the lowest reflectance, honeycomb structures with a ~17% CAR achieved high-temperature absorption. These structures maintained 8.4% reflectance at 550 nm, but their infrared reflection dramatically increased to 80.5% at 1321 nm. The solar thermal performance was assessed throughout a range of irradiance intensities, from 0.04 W/cm2 to 0.39 W/cm2. The honeycomb structure with a ~17% CAR value consistently performed better than the other structures by reaching the highest absorption temperatures (ranging from 52.5 °C to 285.5 °C) across all measured intensities. A direct correlation was observed between the reflection ratio (visible: 550 nm/infrared: 1321 nm) and the temperature absorption efficiency, where lower reflection ratios were associated with higher temperature absorption. This study highlights the significant potential for the large-scale production of cost-effective solar thermal absorbers through the application of optimized honeycomb-structured absorbers coated with MWCNTs. These contributions enhance solar energy efficiency for applications in water heating and purification, thereby promoting sustainable development.
Influence of Synthesis Parameters on Structure and Characteristics of the Graphene Grown Using PECVD on Sapphire Substrate
Authors: Jankauskas Šarūnas , Meškinis Šarūnas , Žurauskienė Nerija , Guobienė Asta
Published: October 2024

The high surface area and transfer-less growth of graphene on dielectric materials is still a challenge in the production of novel sensing devices. We demonstrate a novel approach to graphene synthesis on a C-plane sapphire substrate, involving the microwave plasma-enhanced chemical vapor deposition (MW-PECVD) technique. The decomposition of methane, which is used as a precursor gas, is achieved without the need for remote plasma. Raman spectroscopy, atomic force microscopy and resistance characteristic measurements were performed to investigate the potential of graphene for use in sensing applications. We show that the thickness and quality of graphene film greatly depend on the CH4/H2 flow ratio, as well as on chamber pressure during the synthesis. By varying these parameters, the intensity ratio of Raman D and G bands of graphene varied between ~1 and ~4, while the 2D to G band intensity ratio was found to be 0.05–0.5. Boundary defects are the most prominent defect type in PECVD graphene, giving it a grainy texture. Despite this, the samples exhibited sheet resistance values as low as 1.87 kΩ/□. This reveals great potential for PECVD methods and could contribute toward efficient and straightforward graphene growth on various substrates.
High-Quality Conductive Network Films Constructed from Carbon Nanotube/Carbon Nanofiber Composites via Electrospinning for Electrothermal Applications
Authors: Huang Hedong , Pu Hao , Fan Junwei , Yang Haoxun , Zhao Yunhe , Ha Xinyi , Li Ruiyun , Jiao Defeng , Guo Zeyu
Published: October 2024

In this study, carbon nanotube (CNT)/carbon nanofiber (CNF) composite electrothermal films were prepared by electrospinning, and the effects of the CNT content and carbonization temperature on the electrothermal properties of the CNT/CNF composite films were investigated. The experimental results demonstrated that the conductivity of the CNT/CNF composite electrothermal film (0.006–6.89 S/cm) was directly affected by the CNT content and carbonization temperature. The electrothermal properties of the CNT/CNF positively correlated with the CNT content, carbonization temperature, and applied voltage. The surface temperature of CNT/CNF can be controlled within 30–260 °C, and continuously heated and cooled 100 times without any loss. The convective heat transfer with air is controllable between 0.008 and 31.75. The radiation heat transfer is controllable between 0.29 and 1.92. The prepared CNT/CNF exhibited a heat transfer efficiency of up to 94.5%, and melted a 1 cm thick ice layer within 3 min by thermal convection and radiation alone.
Oral Frailty as a Risk Factor for Malnutrition and Sarcopenia in Patients on Hemodialysis: A Prospective Cohort Study
Authors: Miyasato Kota , Kobayashi Yu , Ichijo Kiyomi , Yamaguchi Ryo , Takashima Hiroyuki , Maruyama Takashi , Abe Masanori
Published: October 2024

Background: Oral frailty is a concept that encompasses various aspects of impaired oral function in elderly people, leading to reduced food intake and less dietary diversity, which can result in sarcopenia and physical frailty. However, there have been no studies on the relationship between oral frailty and malnutrition, sarcopenia, and physical frailty in patients on hemodialysis (HD). Methods: This prospective observational cohort study assessed the oral status of patients on HD. The patients were divided into an oral frailty group and non-oral frailty group using the Oral Frailty Index-8. Malnutrition was assessed using the Geriatric Nutritional Risk Index (GNRI), the Nutritional Risk Index for Japanese Hemodialysis Patients (NRI-JH), and the Short-Form Mini-Nutritional Assessment (MNA-SF). Sarcopenia was assessed using the Asian Working Group for Sarcopenia 2019’s criteria. Physical frailty was assessed using the Japanese version of the Cardiovascular Health Study criteria. One year later, the changes in nutritional status, sarcopenia, and physical frailty risk categories were compared between the oral frailty and non-oral frailty groups. Results: The study enrolled 201 patients (non-oral frailty group, 123; oral frailty group, 78). After 1 year, the oral frailty group had a significantly higher proportion of patients with worsening nutrition status (GNRI, p = 0.0011; NRI-JH, p = 0.0019; MNA-SF, p < 0.001) and sarcopenia (p = 0.0024). There was no significant between-group difference in the proportion of patients in a worse risk category for physical frailty after 1 year. Conclusions: Oral frailty predicts future malnutrition and the progression of sarcopenia in HD patients. In particular, our results strongly suggested that oral frailty was a strong determinant of worsening malnutrition and sarcopenia in HD patients aged ≥65 years.
A Machine Learning Approach to Gene Expression in Hypertrophic Cardiomyopathy
Authors: Pavić Jelena , Živanović Marko , Tanasković Irena , Pavić Ognjen , Stanković Vesna , Virijević Katarina , Mladenović Tamara , Košarić Jelena , Milićević Bogdan , Qamar Safi Ur Rehman , Velicki Lazar , Novaković Ivana , Preveden Andrej , Popović Dejana , Tesić Milorad , Seman Stefan , Filipović Nenad
Published: October 2024

Background/Objectives: Hypertrophic cardiomyopathy (HCM) is a common heart disorder characterized by the thickening of the heart muscle, particularly in the left ventricle, which increases the risk of cardiac complications. This study aims to analyze the expression of apoptosis-regulating genes (CASP8, CASP9, CASP3, BAX, and BCL2) in blood samples from HCM patients, to better understand their potential as biomarkers for disease progression. Methods: Quantitative real-time PCR (qPCR) was used to evaluate gene expression in blood samples from 93 HCM patients. The correlation between apoptosis-regulating genes was conducted and clinical parameters were integrated for feature importance and clustering analysis. Results: Most patients exhibited significant downregulation of CASP8, CASP9, and CASP3. In contrast, BAX expression was elevated in 71 out of 93 patients, while BCL2 was increased in 55 out of 93 patients. Correlation analysis revealed weak negative correlations between the BAX/BCL2 ratio and CASP gene expression. Conclusions: These findings suggest that reduced expression of apoptotic genes may indicate a protective cellular mechanism, which could serve as a biomarker for disease progression. Further studies are needed to investigate the potential for therapeutic modulation of these pathways to improve patient outcomes.
Dynamic Light Scattering Microrheology of Phase-Separated Poly(vinyl) Alcohol–Phytagel Blends
Authors: Ghosh Richa , Bentil Sarah A. , Juárez Jaime J.
Published: October 2024

In this investigation, we explored the microrheological characteristics of dilute hydrogels composed exclusively of Poly(vinyl) alcohol (PVA), Phytagel (PHY), and a blend of the two in varying concentrations. Each of these polymers has established applications in the biomedical field, such as drug delivery and lens drops. This study involved varying the sample concentrations from 0.15% to 0.3% (w/w) to assess how the concentration influenced the observed rheological response. Two probe sizes were employed to examine the impact of the size and verify the continuity hypothesis. The use of two polymer blends revealed their immiscibility and tendency to undergo phase separation, as supported by the existing literature. Exploring the microrheological structure is essential for a comprehensive understanding of the molecular scale. Dynamic light scattering (DLS) was chosen due to its wide frequency range and widespread availability. The selected dilute concentration range was hypothesized to fall within the transition from an ergodic to a non-ergodic medium. Properly identifying the sample’s nature during an analysis—whether it is ergodic or not—is critical, as highlighted in the literature. The obtained results clearly demonstrate an overlap in the results for the storage (G’) and loss moduli (G″) for the different probe particle sizes, confirming the fulfillment of the continuum hypothesis.
Formulation-Property Effects in Novel Injectable and Resilient Natural Polymer-Based Hydrogels for Soft Tissue Regeneration
Authors: Goder Orbach Daniella , Roitman Ilana , Coster Kimhi Geffen , Zilberman Meital
Published: October 2024

The development of injectable hydrogels for soft tissue regeneration has gained significant attention due to their minimally invasive application and ability to conform precisely to the shape of irregular tissue cavities. This study presents a novel injectable porous scaffold based on natural polymers that undergoes in situ crosslinking, forming a highly resilient hydrogel with tailorable mechanical and physical properties to meet the specific demands of soft tissue repair. By adjusting the formulation, we achieved a range of stiffness values that closely mimic the mechanical characteristics of native tissues while maintaining very high resilience (>90%). The effects of gelatin, alginate, and crosslinker concentrations, as well as porosity, on the hydrogel’s properties were elucidated. The main results indicated a compression modulus range of 2.7–89 kPa, which fits all soft tissues, and gelation times ranging from 5 to 30 s, which enable the scaffold to be successfully used in various operations. An increase in gelatin and crosslinker concentrations results in a higher modulus and lower gelation time, i.e., a stiffer hydrogel that is created in a shorter time. In vitro cell viability tests on human fibroblasts were performed and indicated high biocompatibility. Our findings demonstrate that these injectable hydrogel scaffolds offer a promising solution for enhancing soft tissue repair and regeneration, providing a customizable and resilient framework that is expected to support tissue integration and healing with minimal surgical intervention.
Intelligent Packaging Systems with Anthocyanin: Influence of Different Polymers and Storage Conditions
Authors: Remedio Leandro Neodini , Parada Quinayá Carolina
Published: October 2024

With the aim of meeting the growing demand for safe food, intelligent packaging has emerged, which monitors the conditions of the food and informs the consumer about its quality directly at the time of purchase. Among intelligent packaging options, colorimetric indicator films, which change color in response to changes in the food, such as the release of volatile compounds, have been widely studied. Among them, pH indicator films composed of dyes sensitive to small variations in the pH value of the food surface have received greater attention in recent years. Anthocyanins, which are natural pigments, have stood out as one of the most commonly used sources of dyes in the production of these indicator films. In this context, the present review aims to present an updated overview of research employing anthocyanins in indicator films, including their stability under different storage conditions, the influence of different polymers used in their production, and alternative techniques for maintaining stability.
Charge Mediated Changes to the Intrinsic Viscosity of Biopolymer Systems
Authors: Raja Anand , Wilfert Philipp K. , Picken Stephen J.
Published: October 2024

A theoretical approach is presented to quantify the effect of ionic strength on the swelling and shrinkage of the hydrodynamic coil size of a generic biopolymer. This was conducted in view of extraction methods that often utilize acids and alkali combinations and, therefore, invariably impact the levels of salt found in commercially available biopolymers. This approach is supplemented by intrinsic viscosity measurements for the purpose of validation across a variety of biopolymer architectures, type of functionalization, as well as the quoted molar mass. By accurately capturing the magnitude of change in the coil size, it is discussed how a biopolymer coil size is far more sensitive to changes in the ionic strength than it is to the molar mass (or contour length) itself. In turn, it is highlighted why the current characterization strategies that make use of weight-averaged molar mass are prone to errors and cannot be used to establish structure—property relationships for biopolymers. As an alternative, the scope of developing an accurate understanding of coil sizes due to changes in the “soft” interactions is proposed, and it is recommended to use the coil size itself to highlight the underlying structure—property relationships.