bluuebunny/crossref_metadata_2025 huggingface dataset:
Safety and effectiveness of baloxavir marboxil and oseltamivir for influenza in children: a real-world retrospective study in China
Authors: Ge Xilin , Chen Yang , Wu Wei , Lu Jinmiao , Wang Yi , Li Zhiping
Published: July 2024

Objectives

To evaluate the safety and effectiveness of baloxavir marboxil (baloxavir) and oseltamivir in pediatric influenza patients in China.

Methods

Patients filling a prescription for baloxavir or oseltamivir within 48 h following an influenza-related outpatient visit were identified in Children's Hospital of Fudan University in China between March 2023 and December 2023. Outcomes were assessed after antiviral treatment and included the incidence of adverse reactions and the duration of fever and other flu symptoms.

Results

A total of 1430 patients infected with influenza A were collected and 865 patients (baloxavir: n = 420; oseltamivir: n = 445) finally included. The incidence of adverse reactions of nausea and vomiting was significantly different between the baloxavir group (2.38%) and the oseltamivir group (12.13%) [P < 0.001, OR = 4.2526, 95%CI (2.0549, 9.6080)]. No differences in other adverse reactions were observed between the two groups. The mean duration of fever in baloxavir group (1.43d) was significantly shorter than that in oseltamivir group (2.31d) [P < 0.001, 95%CI (0.7815, 0.9917)]. There were no differences in the mean duration of nasal congestion and runny nose, sore throat, cough, and muscle soreness between two groups.

Conclusions

The incidence of nausea and vomiting is lower with baloxavir compared to oseltamivir, and the duration for complete fever reduction is shorter with baloxavir than with oseltamivir. The results indicate that baloxavir is well tolerated and effective in Chinese children.
Integrating transcriptomics and metabolomics to reveal the protective effect and mechanism of Bushen Kangshuai Granules on the elderly people
Authors: Hu Jun , Yang Fengmin , Yang Guang , Pan Juhua , Tan Yumeng , Tang Yalin , Liu Yongmei , Zhang Hong , Wang Jie
Published: July 2024

Background:Aging is characterized by a decline in the adaptability and resistance of the body. In this study, Bushen Kangshuai Granules (BKG), as a kind of Chinese herbal formula, was developed and shown to alleviate aging-related symptoms.

Methods:Self-controlled study combined with RNA-seq and metabonomics were used to expound the efficacy and safety of BKG and revealed the regulation mechanism of BKG treating aging.In vitroexperiments were used to confirm the analytical results. The aging cell model of AC16 cells were treated with D-galactose. The RT-qPCR was used to detect the impact of BKG on telomere length. The DCFH-DA staining was used for detecting intracellular ROS. The targeted signaling pathway was selected and verified using Western blot.

Results:After 8 weeks of treatment, BKG significantly reduced SOD level (p =0.046), TCM aging symptoms (p <0.001) and TNF-α level (p =0.044) in the elderly participants. High-throughput sequencing showed that BKG reversed the expression of 70 and 79 age-related genes and metabolites, respectively. Further enrichment analysis indicated that BKG downregulated thePI3K-AKTsignaling pathway, extracellular matrix (ECM)-receptor interaction, and Rap1 signaling pathway, while up-regulating sphingolipid metabolism. The results ofin vitroexperiments show that, after D-gal treatment, the viability and telomere length of AC16 cells significantly decreased (p <0.05), while the expression of ROS increased (p <0.05), BKG significantly increased the telomere length of AC16 cells and reduced the level of ROS expression (p <0.05). In addition, BKG decreased the expression of THBS1, PDGFRA, and EPS8L1(p <0.05), consistent with the RNA-seq results. Our results also showed that BKG affectsPI3K-AKTsignaling pathway.

Conclusion:BKG can significantly improve aging-related symptoms and increase SOD levels, which may be associated with the reversal of the expression of various aging-related genes. ThePI3K-AKTsignaling pathway and sphingolipid metabolism may be potential mechanisms underlying BKG anti-aging effects.
Effectiveness, safety, and treatment pattern of sodium zirconium cyclosilicate in Chinese patients with hyperkalemia: interim analysis from a multicenter, prospective, real-world study (Actualize Study)
Authors: Shen Nan , Zhang Lihong , Yang Jing , Lin Yongqiang , Liu Xinyu , Cai Xudong , Cao Juan , Zhu Qiang , Luo Xun , Wan Xin , Wu Henglan , Ye Jianming , Shan Chunyan , Xie Hua , Wu Yifan , Cao Yanping , Wang Jianmin , Yu Xiaoyong , Wang Huimin , He Jingdong , Tian Shaojiang , Wu Fenglei , Jiang Xinxin , Li Lu , Zuo Li , Wang Zhaohua , Xing Changying , Yin Xun , Zhao Jianrong , Ma Cong , Long Gang , Li Qing , Hu Yao , Shi Yifan , Lin Hongli
Published: July 2024

Introduction: Sodium zirconium cyclosilicate (SZC) is a nonabsorbed cation-exchanger approved in China for the treatment of hyperkalemia [HK; serum potassium (sK+) levels >5.0 mmol/L]. This is the first real-world study aimed to assess the effectiveness, safety, and treatment patterns of SZC in Chinese patients with HK. Here we present the results of the first interim analysis.

Methods: This multicenter, prospective, cohort study included patients aged ≥18 years with documented HK within 1-year before study enrollment day. These patients were followed up for 6 months from the enrollment day after initiating SZC treatment. The treatment was categorized into correction phase (FAS-P1) and maintenance phase (FAS-P2 new and ongoing users). Subgroup analysis was performed in patients on hemodialysis (FAS-H). The primary objective was evaluation of safety profile of SZC; secondary objectives included assessment of treatment patterns of SZC and its effectiveness.

Results: Of 421 screened patients, 193, 354, and 162 patients were enrolled in the FAS-P1, FAS-P2, and FAS-H groups, respectively. sK+ levels were reduced significantly from 5.9 mmol/L to 5.0 mmol/L after the correction phase. For the maintenance phase, the mean sK+ levels were maintained at 5.2 mmol/L and 5.0 mmol/L in the FAS-P2 new and ongoing user, respectively, and 5.3 mmol/L in the FAS-H subgroup. A considerable proportion of patients showed normokalemia after 48 h of SZC treatment (FAS-P1:51.3%) which was maintained up to 6 months in the maintenance phase (FAS-P2:44%). SZC was well-tolerated.

Conclusion: SZC was effective and safe for the treatment of HK in real-world clinical practice in China.
Searching for the perfect goalkeeping personality. Myth or reality?
Authors: Spielmann Jan , Otte Fabian , Schumacher Tom , Mayer Jan , Klatt Stefanie
Published: July 2024

Background

Psychological factors such as personality characteristics are influential factors of the goalkeeping performance in football (soccer). Not only for individualized treatment in practice, also from a scientific point of view, profiling goalkeepers is a relevant part of understanding athletes. The aim of this study was to investigate personality traits of goalkeepers of different expertise, age, and sex.

Methods

Using the Five Factor Model of personality we assessed personality traits of 132 male and female football goalkeepers ranging from youth to senior and low to elite level. A series of analysis investigated differences between the groups focusing on expertise, age, and sex.

Results

Significant differences in the personality trait agreeableness between groups of different expertise and sex could be detected. Although a significant difference in neuroticism levels of males and females could be shown.

Conclusion

This study was a first step of profiling football goalkeepers of different expertise, age, and sex. The study calls for more replication in this specific field of football and goalkeeping in general to understand the influence of personality characteristics on sport performance.
Cell autocloning as a pathway to their real rejuvenation
Authors: Salnikov Lev
Published: July 2024

The article gives a brief description of geroprotection and rejuvenation methods known to date, presenting their main mechanisms and limitations. To overcome the main limitations of the process of rejuvenation, it is possible to use a process called “cell autocloning.” The principle of the proposed method of rejuvenation is as follows: a periodic process of autocloning of the cell nucleus is initiated in the cellular genome with the formation of one unstable daughter copy and its subsequent self-elimination. In this case, the process of cell division stops in the phase of nuclei divergence without subsequent physical separation of the cell itself. This is especially important for postmitotic cells, where the looping of the “unidirectional” line of the ontogenesis program into a “ring” will mean their transition into renewable cells. The prototype for autocloning mechanisms could be the already known ways in which cells adapt to the increasing amount of their damage over time. These are polyploidy and asymmetric cell division, relying on which it is possible to obtain a renewable process of cell nuclei division, when only the original nucleus remains as a result of division. Although this is not a simple task, there are possible pathways to its solution using approaches that can suggest modern knowledge from the field of molecular and cell biology and genetics. The realization of such a goal will require a lot of work, but the expected result justifies it.
Polnische Sprach⸗Lehre Jerzego Schlaga (1734) – gramatyka języka polskiego dla niewprawnej młodzi
Authors: Just Anna
Published: July 2024

The paper discusses Polnische Sprach⸗Kunst (1734), a grammar of Polish written by Jerzy Schlag, a German who taught Polish in Silesia. Schlag’s handbook stands out among the grammars of the time: the author has intentionally foregone grammar terminology and departed from the traditional Latin-based language description. The article presents Schlag’s innovative description of the language system, and verifies the extent to which the author actually managed to follow his intenƟ on of foregoing grammar terminology.
Kramers–Wannier Duality and Random-Bond Ising Model
Authors: Song Chaoming
Published: July 2024

We present a new combinatorial approach to the Ising model incorporating arbitrary bond weights on planar graphs. In contrast to existing methodologies, the exact free energy is expressed as the determinant of a set of ordered and disordered operators defined on a planar graph and the corresponding dual graph, respectively, thereby explicitly demonstrating the Kramers–Wannier duality. The implications of our derived formula for the Random-Bond Ising Model are further elucidated.
Understanding Higher-Order Interactions in Information Space
Authors: Edelsbrunner Herbert , Ölsböck Katharina , Wagner Hubert
Published: July 2024

Methods used in topological data analysis naturally capture higher-order interactions in point cloud data embedded in a metric space. This methodology was recently extended to data living in an information space, by which we mean a space measured with an information theoretical distance. One such setting is a finite collection of discrete probability distributions embedded in the probability simplex measured with the relative entropy (Kullback–Leibler divergence). More generally, one can work with a Bregman divergence parameterized by a different notion of entropy. While theoretical algorithms exist for this setup, there is a paucity of implementations for exploring and comparing geometric-topological properties of various information spaces. The interest of this work is therefore twofold. First, we propose the first robust algorithms and software for geometric and topological data analysis in information space. Perhaps surprisingly, despite working with Bregman divergences, our design reuses robust libraries for the Euclidean case. Second, using the new software, we take the first steps towards understanding the geometric-topological structure of these spaces. In particular, we compare them with the more familiar spaces equipped with the Euclidean and Fisher metrics.
Contrast Information Dynamics: A Novel Information Measure for Cognitive Modelling
Authors: Homer Steven T. , Harley Nicholas , Wiggins Geraint A.
Published: July 2024

We present contrast information, a novel application of some specific cases of relative entropy, designed to be useful for the cognitive modelling of the sequential perception of continuous signals. We explain the relevance of entropy in the cognitive modelling of sequential phenomena such as music and language. Then, as a first step to demonstrating the utility of constrast information for this purpose, we empirically show that its discrete case correlates well with existing successful cognitive models in the literature. We explain some interesting properties of constrast information. Finally, we propose future work toward a cognitive architecture that uses it.
Computation Offloading Strategy for Detection Task in Railway IoT with Integrated Sensing, Storage, and Computing
Authors: Guo Qichang , Xu Zhanyue , Yuan Jiabin , Wei Yifei
Published: July 2024

Online detection devices, powered by artificial intelligence technologies, enable the comprehensive and continuous detection of high-speed railways (HSRs). However, the computation-intensive and latency-sensitive nature of these detection tasks often exceeds local processing capabilities. Mobile Edge Computing (MEC) emerges as a key solution in the railway Internet of Things (IoT) scenario to address these challenges. Nevertheless, the rapidly varying channel conditions in HSR scenarios pose significant challenges for efficient resource allocation. In this paper, a computation offloading system model for detection tasks in the railway IoT scenario is proposed. This system includes direct and relay transmission models, incorporating Non-Orthogonal Multiple Access (NOMA) technology. This paper focuses on the offloading strategy for subcarrier assignment, mode selection, relay power allocation, and computing resource management within this system to minimize the average delay ratio (the ratio of delay to the maximum tolerable delay). However, this optimization problem is a complex Mixed-Integer Non-Linear Programming (MINLP) problem. To address this, we present a low-complexity subcarrier allocation algorithm to reduce the dimensionality of decision-making actions. Furthermore, we propose an improved Deep Deterministic Policy Gradient (DDPG) algorithm that represents discrete variables using selection probabilities to handle the hybrid action space problem. Our results indicate that the proposed system model adapts well to the offloading issues of detection tasks in HSR scenarios, and the improved DDPG algorithm efficiently identifies optimal computation offloading strategies.
Optimization of Magnetic Core Structures for Enhanced Magnetic Coupling in Helical Coil Inductive Power Transmission
Authors: Lee Ho-Yeong , Chae Seung-Ahn , Song Min-Seung , Park Gwan-Soo
Published: July 2024

Inductive power transfer (IPT) systems often encounter limitations in efficiency and transmission distance due to near-field magnetic coupling characteristics. Increasing the inductance can enhance the transmission distance, but it also raises the system’s Q factor, leading to several issues. This study aimed to optimize the magnetic core design of helical coils to enhance magnetic coupling in IPT systems while minimizing the increase in self-inductance. Through finite element analysis, various core placements were evaluated, leading to a proposed core design process that integrates inner and lower cores at optimal angles. The proposed design was compared with conventional cores, and its performance was validated in an IPT system. The results demonstrate that the proposed core design significantly enhances the coupling coefficient (k) and extends power transmission distance compared with conventional planar and U-shaped core structures without substantially increasing self-inductance (L). This design effectively balances the trade-off between increasing inductance and maintaining system stability, thereby improving transmission efficiency while minimizing frequency instability and voltage stress.
Application of the Metalog Probability Distribution Family to Predict Energy Production by Photovoltaic Systems for the Purposes of Generating Green Hydrogen
Authors: Małek Arkadiusz , Caban Jacek , Stoma Monika , Dudziak Agnieszka , Šarkan Branislav
Published: July 2024

The article presents the application of the metalog family of probability distributions to predict the energy production of photovoltaic systems for the purpose of generating small amounts of green hydrogen in distributed systems. It can be used for transport purposes as well as to generate energy and heat for housing purposes. The monthly and daily amounts of energy produced by a photovoltaic system with a peak power of 6.15 kWp were analyzed using traditional statistical methods and the metalog probability distribution family. On this basis, it is possible to calculate daily and monthly amounts of hydrogen produced with accuracy from the probability distribution. Probabilistic analysis of the instantaneous power generated by the photovoltaic system was used to determine the nominal power of the hydrogen electrolyzer. In order to use all the energy produced by the photovoltaic system to produce green hydrogen, the use of a stationary energy storage device was proposed and its energy capacity was determined. The calculations contained in the article can be used to design home green hydrogen production systems and support the climate and energy transformation of small companies with a hydrogen demand of up to ¾ kg/day.
A Hybrid ARIMA-LSTM Model for Short-Term Vehicle Speed Prediction
Authors: Wang Wei , Ma Bin , Guo Xing , Chen Yong , Xu Yonghong
Published: July 2024

Short vehicle speed prediction is important in predictive energy management strategies, and the accuracy of the prediction is beneficial for energy-saving performance. However, the nonlinear feature of the speed series hinders the improvement of prediction accuracy. In this study, a novel hybrid model that combines an autoregressive integrated moving average (ARIMA) and a long short-term memory (LSTM) model is proposed to handle the nonlinear part efficiently. Generally, the ARIMA component filters out linear trends from the speed series data, and the parameters of the ARIMA are determined with the analysis. Then the LSTM handles the residual normalized nonlinear items, which is the residual of ARIMA. Finally, the two parts of the prediction results are superimposed to obtain the final speed prediction results. To assess the performance of the hybrid model (ARIMA-LSTM), two tested driving cycles and two typical driving scenarios are subjected to rigorous analysis. The results demonstrate that the combined prediction model outperforms individual methods ARIMA and LSTM in dealing with complex, nonlinear variations, and exhibits significantly improved performance metrics, including root mean square error (RMSE), mean absolute error (MAE), and mean percentage error (MAPE). The proposed hybrid model provides a further improvement for the accuracy prediction of vehicle traveling processes.
Advancing Fast Frequency Response Ancillary Services in Renewable-Heavy Grids: A Global Review of Energy Storage-Based Solutions and Market Dynamics
Authors: Varhegyi Gergo , Nour Mutasim
Published: July 2024

This paper addresses the growing challenges and developments in frequency control within power systems influenced by the increasing penetration of renewable energy sources. It evaluates the advancements and limitations of renewable-based control technologies and explores the critical role of diverse energy storage technologies in providing fast frequency response ancillary services. Through a comprehensive analysis of the global literature, this paper categorises energy storage solutions according to their efficacy in meeting fast frequency response demands and potential for revenue generation. It reveals significant gaps in the current research, which predominantly focuses on battery energy storage systems and microgrid applications, with insufficient attention to grid-scale storage solutions and innovative energy storage technologies. This analysis identifies a lack of detailed technical simulations and hybrid storage models for frequency control, as well as a minimal exploration of the environmental benefits, particularly in terms of carbon dioxide emission reductions, associated with deploying new energy storage technologies in ancillary service markets. The paper concludes by emphasising the urgent need for further research incorporating detailed techno-economic evaluations and the carbon dioxide reduction potential of modular, scalable energy storage technologies, which should be facilitated by advanced network simulation models and comprehensive market analysis to drive future advancements in the field.
A Method of Adaptive Power Allocation for Fuel Cell Hybrid Power Systems Taking into Account Stack Performance
Authors: Jin Dapeng , Han Fengxu , Guo Ai , Jiao Lizhi
Published: July 2024

In order to enhance the efficiency, extend the service life, and minimize hydrogen consumption of the fuel cell hybrid power system (FCHPS), an adaptive power allocation method considering stack operation performance is proposed. The method utilizes the minimum instantaneous optimization of equivalent hydrogen consumption to achieve power distribution between fuel cells and lithium batteries. Additionally, a power adaptive allocation method is proposed to address performance inconsistencies in PEMFC systems, effectively reducing operating pressure for improved service life and overall system efficiency. This approach ensures stable and efficient operation of high-power vehicle fuel cell hybrid power systems.
Privacy-Protection Method for Blockchain Transactions Based on Lightweight Homomorphic Encryption
Authors: Wang Guiyou , Li Chao , Dai Bingrong , Zhang Shaohua
Published: July 2024

This study proposes an privacy-protection method for blockchain transactions based on lightweight homomorphic encryption, aiming to ensure the security of transaction data and user privacy, and improve transaction efficiency. We have built a blockchain infrastructure and, based on its structural characteristics, adopted zero-knowledge proof technology to verify the legitimacy of data, ensuring the authenticity and accuracy of transactions from the application end to the smart-contract end. On this basis, the Paillier algorithm is used for key generation, encryption, and decryption, and intelligent protection of blockchain transaction privacy is achieved through a secondary encryption mechanism. The experimental results show that this method performs well in privacy and security protection, with a data leakage probability as low as 2.8%, and can effectively defend against replay attacks and forged-transaction attacks. The degree of confusion remains above 0.9, with small fluctuations and short running time under different key lengths and moderate CPU usage, achieving lightweight homomorphic encryption. This not only ensures the security and privacy of transaction data in blockchain networks, but also reduces computational complexity and resource consumption, better adapting to the high-concurrency and low-latency characteristics of blockchain networks, thereby ensuring the efficiency and real-time performance of transactions.
CFD-Powered Ship Trim Optimization: Integrating ANN for User-Friendly Software Tool Development
Authors: Vasilev Matija , Kalajdžić Milan , Ivković Ines
Published: July 2024

This study presents a comprehensive approach to trim optimization as an energy efficiency improvement measure, focusing on reducing fuel consumption for one RO-RO car carrier. Utilizing Computational Fluid Dynamics (CFD) software, the methodology incorporates artificial neural networks (ANNs) to develop a mathematical model for estimating key parameters such as the brake power, daily fuel oil consumption (DFOC) and propeller speed. The complex ANN model is then integrated into a user-friendly software tool for practical engineering applications. The research outlines a seven-phase trim optimization process and discusses its potential extension to other types of ships, aiming to establish a universal methodology for CFD-based engineering analyses. Based on the trim optimization results, the biggest DFOC goes up to 10.5% at 7.5 m draft and up to 8% for higher drafts. Generally, in every considered case, it is recommended to sail with the trim towards the bow, meaning that the ship’s longitudinal center of gravity should be adjusted to tilt slightly forward.
Exploring the Non-Invasive Approaches to Carpal Tunnel Syndrome in Routine Clinical Practice: A Focus on the Role of Acetylcholinesterase Inhibitors
Authors: Rubens Ojārs , Bērziņa Solvita , Rozenbaha Anda , Dansone Guna , Troshina Yulia
Published: July 2024

The prevalence of N. medianus compression neuropathies remains high in clinical practice. The objective was to evaluate modalities of conservative treatments for carpal tunnel syndrome (CTS) focusing on the role of acetylcholinesterase inhibitors. This observational study involved 51 adult outpatients diagnosed with CTS. Patients were observed during routine clinical protocols and we compared two groups of 25 and 26 individuals, with the first group receiving basic therapy for CTS and 20 mg of ipidacrine (Neiromidin®) two or three times a day per os, while the second group received only basic therapy. The condition of all patients was assessed twice, with at least a one-month interval. The parameters evaluated included the Boston Carpal Tunnel Questionnaire (BCTQ); the Disabilities of the Arm, Shoulder, and Hand scale (DASH); and pain intensity on the Numeric Rating Scale (NRS). The mean reduction in DASH score was 12.3 (SD 7.7) in Group 1 and 7.1 (SD 6.3) in Group 2 (p < 0.01). Also, other scores showed statistically significant differences between the two groups: −2.3 vs. −1.0 for NRS, −0.89 vs. −0.44 for SSS, and −0.68 vs. −0.31 for FSS, respectively (p < 0.01). Moreover, these findings correlated positively with the global improvement (CGI-I) between the groups. The addition of ipidacrine to basic therapy led to improved recovery in patients with CTSs of varying severity.
Derivatization of Abietane Acids by Peptide-like Substituents Leads to Submicromolar Cytotoxicity at NCI-60 Panel
Authors: Tretyakova Elena , Smirnova Anna , Babkov Denis , Kazakova Oxana
Published: July 2024

Natural compounds, including diterpenoids, play a critical role in various biological processes and are recognized as valuable components in cancer treatment. Isocyanides multicomponent reactions (IsMCRs) are one of the effective methods to obtain adducts at the carboxyl group with a peptide-like substituent. In this study, dehydroabietic acid and levopimaric acid diene adducts as the starting scaffolds were modified by the multicomponent Passerini (P-3CR) and Ugi (U-4CR) reactions to afford α-acyloxycarboxamides and α-acylaminocarboxamides. A group of twenty novel diterpene hybrids was subjected to NCI in vitro assessment, and a consistent structure–activity relationship was established. Eleven of the synthesized derivatives inhibited the growth of cancer cells of 4 to 39 cell lines in one dose assay, and the most active were derivatives 3d, 9d, and 10d holding a fragment of 1a,4a-dehydroquinopimaric acid. They were selected for a five-dose analysis and demonstrated a significant antiproliferative effect towards human cancer cell lines. The outstanding cytotoxic activity was observed for the P-3CR product 3d with growth inhibitory at submicromolar and micromolar concentrations (GI50 = 0.42–3 μM) against the most sensitive cell lines. The U-4CR products 9d and 10d showed selective activity against all leukemia cell lines with GI50 in the range of 1–17 µM and selectivity indexes of 5.49 and 4.72, respectively. Matrix COMPARE analysis using the GI50 vector showed a moderate positive correlation of compound 3d with standard anticancer agents that can influence kinase receptors and epidermal growth factor receptors (EGFRs). The ADMET analysis acknowledges the favorable prognosis using compounds as potential anticancer agents. The obtained results indicate that these new hybrids could be useful for the further development of anticancer drugs, and 1a,4a-dehydroquinopimaric acid derivatives could be recommended for in-depth studies and the synthesis of new antitumor analogs on their basis.
Research Progress on Detection of Pathogens in Medical Wastewater by Electrochemical Biosensors
Authors: Chen Bangyao , He Jiahuan , Tian Kewei , Qu Jie , Hong Lihui , Lin Qin , Yang Keda , Ma Lei , Xu Xiaoling
Published: July 2024

The detection of pathogens in medical wastewater is crucial due to the high content of pathogenic microorganisms that pose significant risks to public health and the environment. Medical wastewater, which includes waste from infectious disease and tuberculosis facilities, as well as comprehensive medical institutions, contains a variety of pathogens such as bacteria, viruses, fungi, and parasites. Traditional detection methods like nucleic acid detection and immunological assays, while effective, are often time-consuming, expensive, and not suitable for rapid detection in underdeveloped areas. Electrochemical biosensors offer a promising alternative with advantages including simplicity, rapid response, portability, and low cost. This paper reviews the sources of pathogens in medical wastewater, highlighting specific bacteria (e.g., E. coli, Salmonella, Staphylococcus aureus), viruses (e.g., enterovirus, respiratory viruses, hepatitis virus), parasites, and fungi. It also discusses various electrochemical biosensing techniques such as voltammetry, conductometry, impedance, photoelectrochemical, and electrochemiluminescent biosensors. These technologies facilitate the rapid, sensitive, and specific detection of pathogens, thereby supporting public health and environmental safety. Future research may should pay more attention on enhancing sensor sensitivity and specificity, developing portable and cost-effective devices, and innovating detection methods for diverse pathogens to improve public health protection and environmental monitoring.
Synthesis and Characterization of Symmetrical N-Heterocyclic Carbene Copper(II) Complexes—An Investigation of the Influence of Pyridinyl Substituents
Authors: Adhikari Bhupendra , Raju Selvam , Awoyemi Raymond Femi , Donnadieu Bruno , Wipf David O. , Stokes Sean L. , Emerson Joseph P.
Published: July 2024

Three new tridentate copper(II) N-heterocyclic carbene (NHC) complexes have been obtained and characterized with symmetrical C-4 substitutions on their pendent pyridine rings. Substitutions including methyl (Me), methoxy (OMe), and chloro (Cl) groups, which extend the library pincer Cu-NHC complexes under investigation, modify the impact of pyridinyl basicity on NCN pincer complexes. Both ligand precursors and copper(II) complexes are characterized using a range of techniques, including nuclear magnetic resonance (NMR) spectroscopy for 1H, 13C, 31P, and 19F nuclei, electrospray ionization mass spectrometry (ESI-MS), X-ray crystallography, cyclic voltammetry, and UV-Vis spectroscopy. The pyridine substitutions lead to minimal changes to bond lengths and angles in the X-ray crystal structures of these related complexes; there is a pronounced impact on the electrochemical behavior of both the ligand precursors and copper complexes in the solution. The substitution in the pyridinyl units of these complexes show an impact on the catalytic reactivity of these complexes as applied to a model C–N bond-forming reaction (CEL cross-coupling) under well-established conditions; however, this observation does not correlate to the expected change in basicity in these ligands.
ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling
Authors: Bennett W. F. Drew , Bernardi Austen , Ozturk Tugba Nur , Ingólfsson Helgi I. , Fox Stephen J. , Sun Delin , Maupin C. Mark
Published: July 2024

Soft condensed matter is challenging to study due to the vast time and length scales that are necessary to accurately represent complex systems and capture their underlying physics. Multiscale simulations are necessary to study processes that have disparate time and/or length scales, which abound throughout biology and other complex systems. Herein we present ezAlign, an open-source software for converting coarse-grained molecular dynamics structures to atomistic representation, allowing multiscale modeling of biomolecular systems. The ezAlign v1.1 software package is publicly available for download at github.com/LLNL/ezAlign. Its underlying methodology is based on a simple alignment of an atomistic template molecule, followed by position-restraint energy minimization, which forces the atomistic molecule to adopt a conformation consistent with the coarse-grained molecule. The molecules are then combined, solvated, minimized, and equilibrated with position restraints. Validation of the process was conducted on a pure POPC membrane and compared with other popular methods to construct atomistic membranes. Additional examples, including surfactant self-assembly, membrane proteins, and more complex bacterial and human plasma membrane models, are also presented. By providing these examples, parameter files, code, and an easy-to-follow recipe to add new molecules, this work will aid future multiscale modeling efforts.
The Structure and Optical Properties of Luminescent Europium Terephthalate Antenna Metal–Organic Frameworks Doped by Yttrium, Gadolinium, and Lanthanum Ions
Authors: Butorlin Oleg S. , Petrova Anna S. , Toikka Yulia N. , Kolesnikov Ilya E. , Orlov Sergey N. , Ryazantsev Mikhail N. , Bogachev Nikita A. , Skripkin Mikhail Yu. , Mereshchenko Andrey S.
Published: July 2024

New heterometallic antenna terephthalate MOFs, namely, (EuxM1−x)2bdc3·4H2O (M = Y, La, Gd) (x = 0.001–1), were synthesized by a one-step method from aqueous solutions. The resulting compounds are isomorphic to each other; the crystalline phase corresponds to Ln2bdc3∙4H2O. Upon 300 nm excitation to the singlet excited state of terephthalate ions, all compounds exhibit a bright red emission corresponding to the of 5D0–7FJ (J = 0–4) f-f transitions of Eu3+ ions. The Eu(III) concentration dependence of the photophysical properties was carefully studied. We revealed that Gd-doping results in photoluminescence enhancement due to the heavy atom effect. To quantitatively compare the antenna effect among different compounds, we proposed the new approach, where the quantum yield of the 5D0 formation is used to characterize the efficiency of energy transfer from the ligand antenna to the Eu3+ emitter.
Pyrazolo[1,5-a]pyrimidine as a Prominent Framework for Tropomyosin Receptor Kinase (Trk) Inhibitors—Synthetic Strategies and SAR Insights
Authors: Mahajan Amol T. , Shivani  , Datusalia Ashok Kumar , Coluccini Carmine , Coghi Paolo , Chaudhary Sandeep
Published: July 2024

Tropomyosin receptor kinases (Trks) are transmembrane receptor tyrosine kinases named TrkA, TrkB, and TrkC and encoded by the NTRK1, NTRK2, and NTRK3 genes, respectively. These kinases have attracted significant attention and represent a promising therapeutic target for solid tumor treatment due to their vital role in cellular signaling pathways. First-generation TRK inhibitors, i.e., Larotrectinib sulfate and Entrectinib, received clinical approval in 2018 and 2019, respectively. However, the use of these inhibitors was significantly limited because of the development of resistance due to mutations. Fortunately, the second-generation Trk inhibitor Repotrectinib (TPX-0005) was approved by the FDA in November 2023, while Selitrectinib (Loxo-195) has provided an effective solution to this issue. Another macrocycle-based analog, along with many other TRK inhibitors, is currently in clinical trials. Two of the three marketed drugs for NTRK fusion cancers feature a pyrazolo[1,5-a] pyrimidine nucleus, prompting medicinal chemists to develop numerous novel pyrazolopyrimidine-based molecules to enhance clinical applications. This article focuses on a comprehensive review of chronological synthetic developments and the structure–activity relationships (SAR) of pyrazolo[1,5-a]pyrimidine derivatives as Trk inhibitors. This article will also provide comprehensive knowledge and future directions to the researchers working in the field of medicinal chemistry by facilitating the structural modification of pyrazolo [1,5-a]pyrimidine derivatives to synthesize more effective novel chemotherapeutics as TRK inhibitors.
Very Strong Hydrogen Bond in Nitrophthalic Cocrystals
Authors: Jóźwiak Kinga , Jezierska Aneta , Panek Jarosław J. , Kochel Andrzej , Łydżba-Kopczyńska Barbara , Filarowski Aleksander
Published: July 2024

This work presents the studies of a very strong hydrogen bond (VSHB) in biologically active phthalic acids. Research on VSHB comes topical due to its participation in many biological processes. The studies cover the modelling of intermolecular interactions and phthalic acids with 2,4,6-collidine and N,N-dimethyl-4-pyridinamine complexes with aim to obtain a VSHB. The four synthesized complexes were studied by experimental X-ray, IR, and Raman methods, as well as theoretical Car–Parrinello Molecular Dynamics (CP-MD) and Density Functional Theory (DFT) simulations. By variation of the steric repulsion and basicity of the complex’ components, a very short intramolecular hydrogen bond was achieved. The potential energy curves calculated by the DFT method were characterized by a low barrier (0.7 and 0.9 kcal/mol) on proton transfer in the OHN intermolecular hydrogen bond for 3-nitrophthalic acid with either 2,4,6-collidine or N,N-dimethyl-4-pyridinamine cocrystals. Moreover, the CP-MD simulations exposed very strong bridging proton dynamics in the intermolecular hydrogen bonds. The accomplished crystallographic and spectroscopic studies indicate that the OHO intramolecular hydrogen bond in 4-nitrophthalic cocrystals is VSHB. The influence of a strong steric effect on the geometry of the studied cocrystals and the stretching vibration bands of the carboxyl and carboxylate groups was elaborated.
Optimization of Phenolic Compounds Extraction from Aerial Parts of Fabiana punensis S. C. Arroyo by Ultrasound- and Microwave-Assisted Extraction
Authors: González Daniela Alejandra , Martínez Chamás José , Orqueda María Eugenia , Leal Mariana , Conta Agostina , Mercado María Inés , Isla María Inés , Zampini Iris Catiana
Published: July 2024

Fabiana punensis S. C. Arroyo is a subshrub or shrub that is indigenous to the arid and semiarid region of northern Argentina and is known to possess several medicinal properties. The objective of this study was to optimize the extraction conditions so as to maximize the yield of bioactive total phenolic compound (TPC) and flavonoids (F) of F. punensis’ aerial parts by using non-conventional extraction methods, namely ultrasound-assisted extraction, UAE, and microwave-assisted extraction, MAE, and to compare the biological activities and toxicity of optimized extracts vs. conventional extracts, i.e., those gained by maceration. Response Surface Methodology (RSM) was used to apply factorial designs to optimize the parameters of extraction: solid-to-liquid ratio, extraction time, ultrasound amplitude, and microwave power. The experimental values for TPC and F and antioxidant activity under the optimal extraction conditions were not significantly different from the predicted values, demonstrating the accuracy of the mathematical models. Similar HPLC-DAD patterns were found between conventional and UAE- and MAE-optimized extracts. The main constituents of the extracts correspond to phenolic compounds (flavonoids and phenolic acids) and apigenin was identified. All extracts showed high scavenger capacity on ABTS•+, O2•− and H2O2, enabling the inhibition of the pro-inflammatory enzymes xanthine oxidase (XO) and lipoxygenase (LOX). They also showed an antimutagenic effect in Salmonella Typhimurium assay and cytotoxic/anti-proliferative activity on human melanoma cells (SKMEL-28). Toxicological evaluation indicates its safety. The results of this work are important in the development of efficient and sustainable methods for obtaining bioactive compounds from F. punensis for the prevention of chronic degenerative diseases associated with oxidative stress, inflammation, and DNA damage.
High-Sensitivity Differential Sensor for Characterizing Complex Permittivity of Liquids Based on LC Resonators
Authors: Li Zhongjun , Tian Shuang , Tang Jiaxin , Yang Weichao , Hong Tao , Zhu Huacheng
Published: July 2024

This paper proposes a high-sensitivity microstrip differential sensor for measuring the complex permittivity of liquids. The prototype of the differential sensor was formed by cascading two LC resonators on a microstrip transmission line based on stepped impedance. A strong electric field was found to be distributed in the circular patch of the LC resonator; therefore, a cylindrical micropore was set in the center of the circular LC resonator to measure the dielectric sample, which maximized the disturbance of the dielectric sample on the sensor. By optimizing the size of the circular LC resonator, a high-sensitivity sensor circuit was designed and manufactured. The complex permittivity of the test sample was calculated by measuring the transmission coefficient of different molar concentrations of ethanol–water solutions. The experimental results show that the designed differential sensor can accurately measure the complex permittivity of liquid materials with an average sensitivity of 0.76%.
Improved A* Algorithm for Mobile Robots under Rough Terrain Based on Ground Trafficability Model and Ground Ruggedness Model
Authors: Liu Zhiguang , Guo Song , Yu Fei , Hao Jianhong , Zhang Peng
Published: July 2024

Considering that the existing path planning algorithms for mobile robots under rugged terrain do not consider the ground flatness and the lack of optimality, which leads to the instability of the center of mass of the mobile robot, this paper proposes an improved A* algorithm for mobile robots under rugged terrain based on the ground accessibility model and the ground ruggedness model. Firstly, the ground accessibility and ruggedness models are established based on the elevation map, expressing the ground flatness. Secondly, the elevation cost function that can obtain the optimal path is designed based on the two types of models combined with the characteristics of the A* algorithm, and the continuous cost function is established by connecting with the original distance cost function, which avoids the center-of-mass instability caused by the non-optimal path. Finally, the effectiveness of the improved algorithm is verified by simulation and experiment. The results show that compared with the existing commonly used path planning algorithms under rugged terrain, the enhanced algorithm improves the smoothness of paths and the optimization degree of paths in the path planning process under rough terrain.
Microfluidic Detection of SPIONs and Co-Ferrite Ferrofluid Using Amorphous Wire Magneto-Impedance Sensor
Authors: Barrera Gabriele , Celegato Federica , Vassallo Marta , Martella Daniele , Coïsson Marco , Olivetti Elena S. , Martino Luca , Sözeri Hüseyin , Manzin Alessandra , Tiberto Paola
Published: July 2024

The detection of magnetic nanoparticles in a liquid medium and the quantification of their concentration have the potential to improve the efficiency of several relevant applications in different fields, including medicine, environmental remediation, and mechanical engineering. To this end, sensors based on the magneto-impedance effect have attracted much attention due to their high sensitivity to the stray magnetic field generated by magnetic nanoparticles, their simple fabrication process, and their relatively low cost. To improve the sensitivity of these sensors, a multidisciplinary approach is required to study a wide range of soft magnetic materials as sensing elements and to customize the magnetic properties of nanoparticles. The combination of magneto-impedance sensors with ad hoc microfluidic systems favors the design of integrated portable devices with high specificity towards magnetic ferrofluids, allowing the use of very small sample volumes and making measurements faster and more reliable. In this work, a magneto-impedance sensor based on an amorphous Fe73.5Nb3Cu1Si13.5B9 wire as the sensing element is integrated into a customized millifluidic chip. The sensor detects the presence of magnetic nanoparticles in the ferrofluid and distinguishes the different stray fields generated by single-domain superparamagnetic iron oxide nanoparticles or magnetically blocked Co-ferrite nanoparticles.
Enhancing Multichannel Fiber Optic Sensing Systems with IFFT-DNN for Remote Water Level Monitoring
Authors: Dejband Erfan , Tan Tan-Hsu , Yao Cheng-Kai , Chang En-Ming , Peng Peng-Chun
Published: July 2024

This paper proposes a novel approach to enhance the multichannel fiber optic sensing systems by integrating an Inverse Fast Fourier Transform-based Deep Neural Network (IFFT-DNN) to accurately predict sensor responses despite signals overlapping and crosstalk between sensors. The IFFT-DNN leverages both frequency and time domain information, enabling a comprehensive feature extraction which enhances the prediction accuracy and reliability performance. To investigate the IFFT-DNN’s performance, we propose a multichannel water level sensing system based on Free Space Optics (FSO) to measure the water level at multiple points in remote areas. The experimental results demonstrate the system’s high precision, with a Mean Absolute Error (MAE) of 0.07 cm, even in complex conditions. Hence, this system provides a cost-effective and reliable remote water level sensing solution, highlighting its practical applicability in various industrial settings.
MATI: Multimodal Adaptive Tracking Integrator for Robust Visual Object Tracking
Authors: Li Kai , Cai Lihua , He Guangjian , Gong Xun
Published: July 2024

Visual object tracking, pivotal for applications like earth observation and environmental monitoring, encounters challenges under adverse conditions such as low light and complex backgrounds. Traditional tracking technologies often falter, especially when tracking dynamic objects like aircraft amidst rapid movements and environmental disturbances. This study introduces an innovative adaptive multimodal image object-tracking model that harnesses the capabilities of multispectral image sensors, combining infrared and visible light imagery to significantly enhance tracking accuracy and robustness. By employing the advanced vision transformer architecture and integrating token spatial filtering (TSF) and crossmodal compensation (CMC), our model dynamically adjusts to diverse tracking scenarios. Comprehensive experiments conducted on a private dataset and various public datasets demonstrate the model’s superior performance under extreme conditions, affirming its adaptability to rapid environmental changes and sensor limitations. This research not only advances visual tracking technology but also offers extensive insights into multisource image fusion and adaptive tracking strategies, establishing a robust foundation for future enhancements in sensor-based tracking systems.