bluuebunny/crossref_metadata_2025 huggingface dataset:
Are Regulatory Short Sale Data a Profitable Predictor of UK Stock Returns?
Authors: Ashby Michael
Published: July 2024

Regulator-required public disclosures of net short positions do not provide a profitable investment signal for UK stocks across a variety of portfolio formation methodologies. While long-short (zero initial outlay) portfolios based on this signal usually make a profit on average, it is rarely statistically significant in either gross or risk-adjusted terms. The issue is that the short sides of the portfolios make substantial losses. Unit initial outlay portfolios based on the disclosures do not generally significantly outperform the market, either. Where they do significantly outperform the market, this outperformance is economically modest.
An Improved DPSIR-DEA Assessment Model for Urban Resilience: A Case Study of 105 Large Cities in China
Authors: Jiao Liudan , Han Bowei , Tan Qilin , Zhang Yu , Huo Xiaosen , Wu Liu , Wu Ya
Published: July 2024

Urban development is facing increasingly complex disturbances. Assessing large cities’ urban resilience is important for improving their ability to withstand disturbances and promoting sustainable development. Therefore, this paper establishes an improved assessment model for urban resilience based on the driving force–pressure–state–impact–response (DPSIR) and data envelopment analysis (DEA) model. The Malmquist index, Dagum Gini coefficient, and Markov chain were sequentially used for spatiotemporal evolution and differential resilience analysis. Then, 105 large Chinese cities were selected as case studies. The results indicate their overall resilience is relatively high; each year’s average resilience efficiency can achieve DEA effectiveness. The distribution pattern of resilience level presents a healthy olive-shaped structure. However, there is also a significant difference between the two poles. During the research period, the combined effect of technological efficiency improvement and technological progress resulted in the overall resilience slowly improving, and this process was more driven by technological innovation. At the same time, the overall regional difference in resilience also shows a narrowing trend, and the current spatial differences mainly come from the difference within subregions and super-density. In future transfer predictions, the resilience of large cities will show good stability with a higher probability of maintaining stability; if the resilience undergoes a transition, the probability of an increase will be higher than a decrease. Based on the life cycle process of resilience, this study selects indicators that can characterize the level of resilience according to the DPSIR model, which comprehensively reflects the characteristics of urban resilience. This study’s results can provide particular reference values for urban disaster response emergency planning and sustainable development construction, and it also provides new ideas for the assessment research of urban resilience.
Spatiotemporal Analysis of Economic and Ecological Coupled Coordination: A Case Study of the Beijing–Tianjin–Hebei Urban Agglomeration
Authors: Na Rigala , Xu Xinliang , Wang Shihao
Published: July 2024

The coordination and stability of the regional economy (RE) and ecological quality (EQ) are essential for the synergistic development of the Beijing–Tianjin–Hebei urban agglomeration (BTH). In this paper, based on remote sensing data and economic statistics data, this paper analysed the current situation and evolution of the RE and EQ in the BTH region. Based on the coupled coordination degree (CCD) model, this paper has developed an evaluative framework and quantifies the spatiotemporal coupled coordination of the RE and EQ in the BTH region from 2000 to 2020. The results show that: (1) in 2020, the GDP of the poverty-stricken counties (PSCs) around BTH accounted for 4.57% of the total BTH region, and the area of high-quality ecosystems, Net Primary Productivity (NPP), soil conservation, water conservation, and sand fixation accounted for more than 40% of the total BTH region; (2) the GDP growth of the PSCs accounted for 4.45% of the total growth in BTH, the reduced area of high-quality ecosystems accounted for 21.04%, and the increase in NPP, soil conservation, water conservation, and sand fixation accounted for more than 40% of the total growth in the BTH region; (3) the CCD of the RE and EQ in the BTH region showed a tendency to increase, but the gap between the regions gradually expanded, and the development type changed from a lagging RE to a lagging EQ, in which the coupled coordination grade of the PSCs was in a dissonance stage for a long time, and the level of economic development had to improve. Deepening the understanding of the spatiotemporal coupling relationship between the RE and EQ and adopting appropriate development policies is of great significance for achieving the coordinated and integrated development of the BTH region.
Soil Geochemical Mapping of the Sal Island (Cape Verde): Ecological and Human Health Risk Assessment
Authors: Diniz Luísa , Carlos Gelson , Miranda Carmelita , Dinis Pedro , Marques Rosa , Rocha Fernando Tavares , Silva Eduardo Ferreira da , Almeida Agostinho , Cabral Pinto Marina
Published: July 2024

Geochemical mapping is the base of knowledge needed to determine the critical contents of potential toxic elements and the potentially hazardous regions on the planet. This work presents maps of baseline values of chemical elements in the soils of Sal Island (Cape Verde) and the assessment of their ecological and human health risks. According to the results, Ba, Co, Ni, and V baseline values are above the international guidelines for agricultural and residential proposed uses. Arsenic in the soil overlying the Ancient Eruptive Complex shows a high potential ecological risk factor. It is not clear if high As contents in soils have a geogenic or anthropogenic source. Hazard indexes (HI) were calculated for children and adults. For children, HI is higher than 1 for Co, Cr, and Mn, indicating potential non-carcinogenic risk. These elements are present in high content in soils covering Quaternary sediments, the Monte Grande-Pedra Lume Formation, and the Ancient Eruptive Complex, inducing belief in a geogenic source. For the other elements and for adults, there is no potential non-carcinogenic risk. Cancer risk (CR) was calculated for As, Cd, Cr, and Ni exposures for adults and children, and the results are mainly lower than the carcinogenic target risk value, indicating no cancer risk. Only in a few soil samples are CR results slightly higher than the carcinogenic target risk of 1 × 10−4 2 × 10−6 for adults exposed to Cr by inhalation. It is important to emphasize that these results of the health risk associated with exposure are likely to overestimate the bioavailable fractions of the elements in the soil once it is used as aqua regia instead of physiological fluids to digest the soil. However, since measured concentrations of potential toxic elements in soil reveal that they can be harmful to both the environment and human health, regional activities such as agriculture or water exploitation must be controlled by competent authorities. These conclusions highlight the insights and the applicability of soil geochemistry surveys for future policy progress, which are particularly relevant in developing countries like the Cape Verde archipelago.
Hydrological Response to Predominant Land Use and Land Cover in the Colombian Andes at the Micro-Watershed Scale
Authors: Sánchez Henry Garzón , Loaiza Usuga Juan Carlos , Vélez Upégui Jaime Ignacio
Published: July 2024

The hydrological response (HR), generally defined as the relationship between rainfall and runoff, should be understood holistically within the processes of the conversion of rainfall to evapotranspiration, surface and subsurface runoff, groundwater flow, and streamflow. The objective of this study was to evaluate the HR of three predominant land use and land cover (LULC) types in the Colombian Andes at the micro-watershed scale. Experimental micro-watersheds were established to replicate LU (pasture, and a coffee agroforestry system) and LC (natural forest). The TETIS model was applied, calibrated, and verified, and the similarity between observed flows (using level sensors and volumetric gauges) and flows simulated by the model was evaluated, relating the HR to each type of LULC. The HR included an analysis of the Water Retention and Regulation Index—IRH and Base Flow Index—IFB. The best model fit and HR were found for the agroforestry system, with a moderate NSE (0.48), R2 (0.7), RMSE (0.2), and BE (20.8%). On the other hand, a forest cover was found to guarantee the permanence of subsurface inputs and base flows to the river, as evidenced by high IRH, IFB, and water balance values. Natural forest land uses present high volumetric moisture content in the soil, corresponding to a high IFB.
Code-Switching at the Interfaces
Authors: Muntendam Antje , Parafita Couto M. Carmen
Published: July 2024

One characteristic of multilingual speakers is that in everyday life, they may integrate elements from their languages in the same sentence or discourse, a practice known as code-switching. This paper examines code-switching at the interfaces, in particular as related to information structure. Despite the fact that a core question of modern linguistic theory is how syntactic and information-structural theories interact in accounting for licensing of different grammatical phenomena, there has been relatively little literature on code-switching and information structure. In this paper, we provide an overview of the available literature on code-switching across different language combinations, focusing in particular on subject pronoun–verb switches, ellipsis, light verbs, topic/focus particles, and code-switching between sign languages. We argue that the study of the interplay between information structure and code-switching sheds light on our understanding of multilingual grammars and language competence more generally. In this regard, we discuss theoretical and methodological considerations to guide future studies.
Exploring the Core Formose Cycle: Catalysis and Competition
Authors: Kua Jeremy , Tripoli L. Philip
Published: July 2024

The core autocatalytic cycle of the formose reaction may be enhanced or eroded by the presence of simple molecules at life’s origin. Utilizing quantum chemistry, we calculate the thermodynamics and kinetics of reactions both within the core cycle and those that deplete the reactants and intermediates, such as the Cannizzaro reaction. We find that via disproportionation of aldehydes into carboxylic acids and alcohols, the Cannizzaro reaction furnishes simple catalysts for a variety of reactions. We also find that ammonia can catalyze both in-cycle and Cannizzaro reactions while hydrogen sulfide does not; both, however, play a role in sequestering reactants and intermediates in the web of potential reactions.
New Trends in Composite Coagulants for Water and Wastewater Treatment
Authors: Tsoutsa Eleftheria K. , Tolkou Athanasia K. , Kyzas George Z. , Katsoyiannis Ioannis A.
Published: July 2024

Coagulation/Flocculation (C/F) process aims to efficiently eliminate turbidity, TSS, COD, BOD, toxic metals, phosphates, and UV254nm from wastewater. Both natural and synthetic coagulants, used alone or in conjunction with flocculants, play crucial roles in this treatment. This review summarizes recent trends in coagulants for wastewater treatment, highlighting a wide array of inorganic and organic coagulants that have demonstrated significant efficacy based on reviewed studies. Notably, Crab Shell Bio-Coagulant (CS) excels in turbidity remov5al, achieving a remarkable 98.91% removal rate, while oak leaves protein shows superior performance in TSS and COD removal. Synthetic inorganic coagulants like PALS, PSiFAC1.5:10:15, and PAPEFAC1.5-10-15 demonstrate outstanding turbidity removal rates, over 96%. POFC-2 coagulant stands out for efficiently removing TSS and COD from domestic wastewater, achieving up to 93% removal for TSS and 89% for COD. Moreover, the utilization of FeCl3 as an inorganic coagulant alongside chitosan as an organic flocculant shows promise in reducing turbidity, COD, and polyphenols in wastewater from vegetable oil refineries. PE-2, a novel organic coagulant, demonstrates exceptional efficacy in eliminating turbidity, TSS, COD, and BOD from sugar industry wastewater. Chitosan shows effectiveness in removing TOC and orthophosphates in brewery wastewater. Additionally, CTAB shows high efficiency in removing various toxic metal ions from wastewater. The hybrid coagulants: PAAP0.1,0.5 and PPAZF accomplish exceptional turbidity removal rates, approximately 98%.
Enhancing Knowledge-Concept Recommendations with Heterogeneous Graph-Contrastive Learning
Authors: Wei Liting , Li Yun , Wang Weiwei , Zhu Yi
Published: July 2024

With the implementation of conceptual labeling on online learning resources, knowledge-concept recommendations have been introduced to pinpoint concepts that learners may wish to delve into more deeply. As the core subject of learning, learners’ preferences in knowledge concepts should be given greater attention. Research indicates that learners’ preferences for knowledge concepts are influenced by the characteristics of their group structure. There is a high degree of homogeneity within a group, and notable distinctions exist between the internal and external configurations of a group. To strengthen the group-structure characteristics of learners’ behaviors, a multi-task strategy for knowledge-concept recommendations is proposed; this strategy is called Knowledge-Concept Recommendations with Heterogeneous Graph-Contrastive Learning. Specifically, due to the difficulty of accessing authentic social networks, learners and their structural neighbors are considered positive contrastive pairs to construct self-supervision signals on the predefined meta-path from heterogeneous information networks as auxiliary tasks, which capture the higher-order neighbors of learners by presenting different perspectives. Then, the Information Noise-Contrastive Estimation loss is regarded as the main training objective to increase the differentiation of learners from different professional backgrounds. Extensive experiments are constructed on MOOCCube, and we find that our proposed method outperforms the other state-of-the-art concept-recommendation methods, achieving 6.66% with HR@5, 8.85% with NDCG@5, and 8.68% with MRR.
A New Generalization of the Uniform Distribution: Properties and Applications to Lifetime Data
Authors: González-Hernández Isidro Jesús , Méndez-González Luis Carlos , Granillo-Macías Rafael , Rodríguez-Muñoz José Luis , Pacheco-Cedeño José Sergio
Published: July 2024

In this paper, we generalize two new statistical distributions, to improve the ability to model failure rates with non-monotonic, monotonic, and mainly bathtub curve behaviors. We call these distributions Generalized Powered Uniform Distribution and MOE-Powered Uniform. The proposed distributions’ approach is based on incorporating a parameter k in the power of the values of the random variables, which is associated with the Probability Density Function and includes an operator called the Powered Mean. Various statistical and mathematical features focused on reliability analysis are presented and discussed, to make the models attractive to reliability engineering or medicine specialists. We employed the Maximum Likelihood Estimator method to estimate the model parameters and we analyzed its performance through a Monte Carlo simulation study. To demonstrate the flexibility of the proposed approach, a comparative analysis was carried out on four case studies with the proposed MOE-Powered Uniform distribution, which can model failure times as a bathtub curve. The results showed that this new model is more flexible and useful for performing reliability analysis.
Dynamic Analysis and PD Control in a 12-Pole Active Magnetic Bearing System
Authors: Ren Yigen , Ma Wensai
Published: July 2024

This paper conducts an in-depth study on the dynamic stability and complex vibration behavior of a 12-pole active magnetic bearing (AMB) system considering gravitational effects under a PD controller. Firstly, based on electromagnetic theory and Newton’s second law, a two-degree-of-freedom control equation of the system, including PD control terms and gravitational effects, is constructed. This equation involves not only parametric excitation, quadratic nonlinearity, and cubic nonlinearity but also a more pronounced coupling effect between the magnetic poles due to the presence of gravity. Secondly, using the multi-scale method, a four-dimensional averaged equation of the system in Cartesian and polar coordinates is derived. Finally, through numerical analysis, the system’s amplitude–frequency response, motion trajectory, the relationship between energy and amplitude, and global dynamic behaviors such as bifurcation and chaos are discussed in detail. The results show that the PD controller significantly affects the system’s spring hardening/softening characteristics, excitation, amplitude, energy, and stability. Specifically, increasing the proportional gain can quickly suppress the rotor’s motion, but it also increases the system’s instability. Adjusting the differential gain can transition the system from a chaotic state to a stable periodic motion.
From Lipid Signatures to Cellular Responses: Unraveling the Complexity of Melanoma and Furthering Its Diagnosis and Treatment
Authors: Díaz-Grijuela Elisa , Hernández Agustín , Caballero Claudia , Fernandez Roberto , Urtasun Raquel , Gulak Marina , Astigarraga Egoitz , Barajas Miguel , Barreda-Gómez Gabriel
Published: July 2024

Recent advancements in mass spectrometry have significantly enhanced our understanding of complex lipid profiles, opening new avenues for oncological diagnostics. This review highlights the importance of lipidomics in the comprehension of certain metabolic pathways and its potential for the detection and characterization of various cancers, in particular melanoma. Through detailed case studies, we demonstrate how lipidomic analysis has led to significant breakthroughs in the identification and understanding of cancer types and its potential for detecting unique biomarkers that are instrumental in its diagnosis. Additionally, this review addresses the technical challenges and future perspectives of these methodologies, including their potential expansion and refinement for clinical applications. The discussion underscores the critical role of lipidomic profiling in advancing cancer diagnostics, proposing a new paradigm in how we approach this devastating disease, with particular emphasis on its application in comparative oncology.
Exploring Microstructure Patterns: Influence on Hydrophobic Properties of 3D-Printed Surfaces
Authors: Lohatepanont Mark , Chen Melody , Mendoza Nova Luis Carlos , Murray John-Thomas , Merchan-Merchan Wilson
Published: July 2024

This study investigates the influence of microstructure patterns on the hydrophobic properties of surfaces of 3D-printed objects generated using photopolymer resin. Various arrangements and designs of microstructures on the surface of 3D-printed objects were examined. Leveraging the superior resolution of stereolithography printers (SLA) over fused deposition modeling, intricate microfeature designs were well-implemented. The experiments involved a range of structures on the surface of the 3D-printed objects, including precisely defined arrays of microcylinders, microchannels, and other complex designs generated by parametric equations. The hydrophobicity of the 3D-printed objects was assessed through the water droplet test, revealing a spectrum of results ranging from hydrophobic to weakly hydrophobic, and to hydrophilic surfaces. Light microscopy was employed to characterize the surface morphological properties of the 3D-printed objects, which were then correlated with the measured contact angles. It was discovered that the 3D-printed objects with microstructures formed using parametric functions exhibited patterns with irregularities and fluctuations along all directions or axes, resulting in a higher degree of hydrophobicity compared to structured matrices with pillared arrays. However, some surfaces created with parametric functions resulted in an anisotropic system where the material properties varied along one direction, while the other direction exhibited a flat, planar surface. These anisotropic systems were found to be less hydrophobic according to the water droplet test.
Exploring the Antimicrobial and Probiotic Potential of Microorganisms Derived from Kazakh Dairy Products
Authors: Anuarbekova Sandugash , Bekshin Zhandarbek , Shaikhin Serik , Alzhanova Gulzhan , Sadykov Azamat , Temirkhanov Aslan , Sarmurzina Zinigul , Kanafin Yerkanat
Published: July 2024

The emergence of antibiotic-resistant pathogens in clinical settings has intensified the search for new probiotic strains with both health benefits and technological utility. This study aims to identify and characterize promising antimicrobial cultures derived from milk and dairy products, capable of inhibiting opportunistic pathogens. The samples of dairy products were collected from various markets across Kazakhstan. Microorganisms isolated from these samples underwent identification through 16S rRNA and ITS gene sequencing, using the BLAST algorithm. Their antimicrobial activity was assessed using the delayed antagonism method against pathogenic microorganisms including E. coli, S. aureus, Pseudomonas sp., Candida sp., and B. subtilis. Additionally, the isolates were evaluated for resistance to environmental stress factors such as temperature, pH, salt, ethanol, glucose, and peroxide. From 24 distinct samples, 33 isolates were purified, with 15 demonstrating high viability (108–109 CFU/mL) and stress resistance. Notably, Lacticaseibacillus casei AK and Enterococcus faecium KS exhibited resistance to all tested stress conditions. Antimicrobial screening revealed strong activity by strains LP, LB, and S-2 against multiple pathogens. Genotyping and carbohydrate fermentation tests identified these effective isolates as belonging to the genera Lactobacillus, Lactococcus, Enterococcus, Lactiplantibacillus, Streptococcus, and the yeast genus Pichia. This study underscores the industrial and health potential of the identified microorganisms. Prominent among the strains, Lactiplantibacillus pentosus LP, Lacticaseibacillus casei AK, Lactiplantibacillus argentoratensis LB, Lactiplantibacillus plantarum S-2, and Enterococcus faecium KS have been recognized as potent probiotics. These strains exhibit broad-spectrum antimicrobial activity coupled with robust stress tolerance, making them suitable candidates for probiotic applications.
Correction: Rimoldi et al. The Replacement of Fish Meal with Poultry By-Product Meal and Insect Exuviae: Effects on Growth Performance, Gut Health and Microbiota of the European Seabass, Dicentrarchus labrax. Microorganisms 2024, 12, 744
Authors: Rimoldi Simona , Di Rosa Ambra Rita , Armone Rosangela , Chiofalo Biagina , Hasan Imam , Saroglia Marco , Kalemi Violeta , Terova Genciana
Published: July 2024

In the original publication [...]
Development of a Robust Saccharomyces cerevisiae Strain for Efficient Co-Fermentation of Mixed Sugars and Enhanced Inhibitor Tolerance through Protoplast Fusion
Authors: Zhao Jianzhi , Zhao Yuping , Wu Longhao , Yan Ning , Yang Shuo , Xu Lili , He Deyun , Li Hongxing , Bao Xiaoming
Published: July 2024

The economical and efficient commercial production of second-generation bioethanol requires fermentation microorganisms capable of entirely and rapidly utilizing all sugars in lignocellulosic hydrolysates. In this study, we developed a recombinant Saccharomyces cerevisiae strain, BLH510, through protoplast fusion and metabolic engineering to enhance its ability to co-ferment glucose, xylose, cellobiose, and xylooligosaccharides while tolerating various inhibitors commonly found in lignocellulosic hydrolysates. The parental strains, LF1 and BLN26, were selected for their superior glucose/xylose co-fermentation capabilities and inhibitor tolerance, respectively. The fusion strain BLH510 demonstrated efficient utilization of mixed sugars and high ethanol yield under oxygen-limited conditions. Under low inoculum conditions, strain BLH510 could completely consume all four kinds of sugars in the medium within 84 h. The fermentation produced 33.96 g/L ethanol, achieving 84.3% of the theoretical ethanol yield. Despite the challenging presence of mixed inhibitors, BLH510 successfully metabolized all four sugars above after 120 h of fermentation, producing approximately 30 g/L ethanol and reaching 83% of the theoretical yield. Also, strain BLH510 exhibited increased intracellular trehalose content, particularly under conditions with mixed inhibitors, where the intracellular trehalose reached 239.3 mg/g yeast biomass. This elevated trehalose content contributes to the enhanced stress tolerance of BLH510. The study also optimized conditions for protoplast preparation and fusion, balancing high preparation efficiency and satisfactory regeneration efficiency. The results indicate that BLH510 is a promising candidate for industrial second-generation bioethanol production from lignocellulosic biomass, offering improved performance under challenging fermentation conditions. Our work demonstrates the potential of combining protoplast fusion and metabolic engineering to develop superior S. cerevisiae strains for lignocellulosic bioethanol production. This approach can also be extended to develop robust microbial platforms for producing a wide array of lignocellulosic biomass-based biochemicals.
Ion-Selective Electrode for Nitrates Based on a Black PCV Membrane
Authors: Lenar Nikola , Drużyńska Martyna , Piech Robert , Paczosa-Bator Beata
Published: July 2024

Carbon nanomaterials were introduced into this research as modifiers for polymeric membranes for single-piece electrodes, and their properties were studied for the case of nitrate-selective sensors. The use of graphene, carbon black and carbon nanotubes is shown to significantly improve the potentiometric response, while no redox response was observed. The use of carbon nanomaterials results in a near-Nernstian response (54 mV/pNO3−) towards nitrate ions over a wide linear range (from 10−1 to 10−6 M NO3−). The results obtained by chronopotentiometry and electrochemical impedance spectroscopy reveal little resistance, and the capacitance parameter is as high as 0.9 mF (for graphene-based sensor). The high electrical capacity of electrodes results in the good stability of the potentiometric response and a low potential drift (0.065 mV/h). Introducing carbon nanomaterials into the polymetric membrane, instead of using them as separate layers, allows for the simplification of the sensors’ preparation procedure. With single-piece electrodes, one step of the procedure could be omitted, in comparison to the procedure for the preparation of solid-contact electrodes.
Recent Advances in the Application of Nitro(het)aromatic Compounds for Treating and/or Fluorescent Imaging of Tumor Hypoxia
Authors: Anichina Kameliya , Lumov Nikolay , Bakov Ventsislav , Yancheva Denitsa , Georgiev Nikolai
Published: July 2024

This review delves into recent advancements in the field of nitro(het)aromatic bioreductive agents tailored for hypoxic environments. These compounds are designed to exploit the low-oxygen conditions typically found in solid tumors, making them promising candidates for targeted cancer therapies. Initially, this review focused on their role as gene-directed enzyme prodrugs, which are inert until activated by specific enzymes within tumor cells. Upon activation, these prodrugs undergo chemical transformations that convert them into potent cytotoxic agents, selectively targeting cancerous tissue while sparing healthy cells. Additionally, this review discusses recent developments in prodrug conjugates containing nitro(het)aromatic moieties, designed to activate under low-oxygen conditions within tumors. This approach enhances their efficacy and specificity in cancer treatment. Furthermore, this review covers innovative research on using nitro(het)aromatic compounds as fluorescent probes for imaging hypoxic tumors. These probes enable non-invasive visualization of low-oxygen regions within tumors, providing valuable insights for the diagnosis, treatment planning, and monitoring of therapeutic responses. We hope this review will inspire researchers to design and synthesize improved compounds for selective cancer treatment and early diagnostics.
Insights into the Gene Expression Profile of Classical Hodgkin Lymphoma: A Study towards Discovery of Novel Therapeutic Targets
Authors: Aloliqi Abdulaziz A.
Published: July 2024

Classical Hodgkin lymphoma (cHL) is a common B-cell cancer and a significant health concern, especially in Western and Asian countries. Despite the effectiveness of chemotherapy, many relapse cases are being reported, highlighting the need for improved treatments. This study aimed to address this issue by discovering biomarkers through the analysis of gene expression data specific to cHL. Additionally, potential anticancer inhibitors were explored to target the discovered biomarkers. This study proceeded by retrieving microarray gene expression data from cHL patients, which was then analyzed to identify significant differentially expressed genes (DEGs). Functional and network annotation of the upregulated genes revealed the active involvement of matrix metallopeptidase 12 (MMP12) and C-C motif metallopeptidase ligand 22 (CCL22) genes in the progression of cHL. Additionally, the mentioned genes were found to be actively involved in cancer-related pathways, i.e., oxidative phosphorylation, complement pathway, myc_targets_v1 pathway, TNFA signaling via NFKB, etc., and showed strong associations with other genes known to promote cancer progression. MMP12, topping the list with a logFC value of +6.6378, was selected for inhibition using docking and simulation strategies. The known anticancer compounds were docked into the active site of the MMP12 molecular structure, revealing significant binding scores of −7.7 kcal/mol and −7.6 kcal/mol for BDC_24037121 and BDC_27854277, respectively. Simulation studies of the docked complexes further supported the effective binding of the ligands, yielding MMGBSA and MMPBSA scores of −78.08 kcal/mol and −82.05 kcal/mol for MMP12-BDC_24037121 and −48.79 kcal/mol and −49.67 kcal/mol for MMP12-BDC_27854277, respectively. Our findings highlight the active role of MMP12 in the progression of cHL, with known compounds effectively inhibiting its function and potentially halting the advancement of cHL. Further exploration of downregulated genes is warranted, as associated genes may play a role in cHL. Additionally, CCL22 should be considered for further investigation due to its significant role in the progression of cHL.
Molecular Hybrid Design, Synthesis, In Vitro Cytotoxicity, In Silico ADME and Molecular Docking Studies of New Benzoate Ester-Linked Arylsulfonyl Hydrazones
Authors: Ergan Erdem , Çakmak Reşit , Başaran Eyüp , Mali Suraj N. , Akkoc Senem , Annadurai Sivakumar
Published: July 2024

In this paper, we present the synthesis and characterization of two known sulfonyl hydrazides (1 and 2) and their new sulfonyl hydrazone derivatives (9–20), as well as in vitro and in silico investigations of their cytotoxic properties against human lung (A549) and human breast (MCF-7) cancer cell lines. The target compounds (9–20) obtained in high yields were synthesized for the first time by a multi-step reaction, and their structures were confirmed by elemental analysis and various spectral techniques, including FT-IR, 1H-, and 13C-NMR. The antiproliferative profiles of these compounds (1, 2, and 9–20) in this study were determined at concentrations of 200, 100, 50, and 25 µM against selected cancer cell lines for 72 h using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) method. Except for compounds 1 and 2, other compounds (9–20) demonstrated cytotoxic activity at concentrations lower than 200 µM. The newly synthesized compounds (9–20) demonstrated antiproliferative activities at a micromolar level, with IC50 values in the range of 29.59–176.70 μM for the A549 cell line and 27.70–170.30 μM for the MCF-7 cell line. Among these compounds, compound 15 (IC50 = 29.59 μM against A549 cell line and IC50 = 27.70 μM against MCF-7 cell line) showed the highest cytotoxic activity against these two cancer cell lines compared to the reference drug cisplatin (IC50 = 22.42 μM against A549 cell line and IC50 = 18.01 μM against MCF-7 cell line). From docking simulations, to establish a plausible binding mode of compounds, we noticed that compound 15 demonstrated the highest affinity (−6.8508 kcal/mol) for estrogen receptor-beta (ERbeta) compared to others, suggesting promising ERbeta binding potential. Most compounds followed Lipinski’s rule of five, with acceptable logP values. Additionally, all had mixed gastrointestinal absorption and limited blood–brain barrier permeability. Overall, our study proposed new sulfonyl hydrazones as a potential class of anticancer agents.
Green Synthesis and Antifungal Activities of Novel N-Aryl Carbamate Derivatives
Authors: Liu Xiyao , Sun Yuyao , Liu Lifang , Duan Xufei , You Shujun , Yu Baojia , Pan Xiaohong , Guan Xiong , Lin Ran , Song Liyan
Published: July 2024

Carbamate is a key structural motif in the development of fungicidal compounds, which is still promising and robust in the discovery of green pesticides. Herein, we report the synthesis and evaluation of the fungicidal activity of 35 carbamate derivatives, among which 19 compounds were synthesized in our previous report. These derivatives were synthesized from aromatic amides in a single step, which was a green oxidation process for Hofmann rearrangement using oxone, KCl and NaOH. Their chemical structures were characterized by 1H NMR, 13C NMR and high-resolution mass spectrometry. Their antifungal activity was tested against seven plant fungal pathogens. Many of the compounds exhibited good antifungal activity in vitro (inhibitory rate > 60% at 50 μg/mL). Compound 1ag exhibited excellent broad-spectrum antifungal activities with inhibition rates close to or higher than 70% at 50 μg/mL. Notably, compound 1af demonstrated the most potent inhibition against F. graminearum, with an EC50 value of 12.50 μg/mL, while compound 1z was the most promising candidate fungicide against F. oxysporum (EC50 = 16.65 μg/mL). The structure–activity relationships are also discussed in this paper. These results suggest that the N-aryl carbamate derivatives secured by our green protocol warrant further investigation as potential lead compounds for novel antifungal agents.
A Novel DLLME Method Involving a Solidifying Hydrophobic Deep Eutectic Solvent Using Hydrophilic Deep Eutectic Solvent as the Dispersant for the Determination of Polychlorinated Biphenyls in Water Samples
Authors: Peng Chunlong , Zhang Shuochen , Li Xin
Published: July 2024

This paper presents a novel dispersive liquid–liquid microextraction (DLLME) method that employs solidified hydrophobic deep eutectic solvent (DES) with hydrophilic DES acting as the dispersant. The aim is to enrich polychlorinated biphenyls (PCBs) from water samples for subsequent determination by gas chromatography–mass spectrometry. The effects of both the hydrophobic DES as the extractant and the hydrophilic DES as the dispersant were thoroughly investigated. Optimization of the key factors influencing extraction efficiency was performed, and the method was subsequently validated. Specifically, a hydrophobic DES called DES2, prepared by combining thymol and decanoic acid in a molar ratio of 3:2, was selected as the extraction solvent. Meanwhile, a hydrophilic DES named DES6, prepared from choline chloride and acetic acid in a molar ratio of 1:2, was chosen as a dispersant. Under the optimal extraction conditions, the developed method exhibited excellent linearity over the concentration range of 0.01–5.0 µg/L, low limits of detection ranging from 3.0 to 5.1 ng/L, relative standard deviations less than 4.1%, and enrichment factors between 182 and 204 for PCBs. Finally, the effectiveness of the developed method was successfully demonstrated through residue determination of PCBs in water samples.
A Comprehensive Review of Nanoparticles: From Classification to Application and Toxicity
Authors: Eker Furkan , Duman Hatice , Akdaşçi Emir , Bolat Ecem , Sarıtaş Sümeyye , Karav Sercan , Witkowska Anna Maria
Published: July 2024

Nanoparticles are structures that possess unique properties with high surface area-to-volume ratio. Their small size, up to 100 nm, and potential for surface modifications have enabled their use in a wide range of applications. Various factors influence the properties and applications of NPs, including the synthesis method and physical attributes such as size and shape. Additionally, the materials used in the synthesis of NPs are primary determinants of their application. Based on the chosen material, NPs are generally classified into three categories: organic, inorganic, and carbon-based. These categories include a variety of materials, such as proteins, polymers, metal ions, lipids and derivatives, magnetic minerals, and so on. Each material possesses unique attributes that influence the activity and application of the NPs. Consequently, certain NPs are typically used in particular areas because they possess higher efficiency along with tenable toxicity. Therefore, the classification and the base material in the NP synthesis hold significant importance in both NP research and application. In this paper, we discuss these classifications, exemplify most of the major materials, and categorize them according to their preferred area of application. This review provides an overall review of the materials, including their application, and toxicity.
Multifunctional Biocomposites: Synthesis, Characterization, and Prospects for Regenerative Medicine and Controlled Drug Delivery
Authors: Aaddouz Mohamed , El Yousfi Ridouan , Sabbahi Rachid , Azzaoui Khalil , Yahyaoui Meryem Idrissi , Asehraou Abdeslam , Hammouti Belkheir , Laoutid Fouad , Alanazi Mohammed M. , Mejdoubi Elmiloud
Published: July 2024

This article presents a new method for preparing multifunctional composite biomaterials with applications in advanced biomedical fields. The biomaterials consist of dicalcium phosphate (DCPD) and bioactive silicate glasses (SiO2/Na2O and SiO2/K2O), containing the antibiotic streptomycin sulfate. Materials were deeply characterized by X-ray diffraction and attenuated total reflectance Fourier transform infrared spectroscopy, and zeta potential analysis, UV–visible spectrophotometry, and ion-exchange measurement were applied in a simulating body fluid (SBF) solution. The main results include an in situ chemical transformation of dicalcium phosphate into an apatitic phase under the influence of silicate solutions and the incorporation of the antibiotic. The zeta potential showed a decrease in surface charge from ζ = −24.6 mV to ζ = −16.5 mV. In addition, a controlled and prolonged release of antibiotics was observed over a period of 37 days, with a released concentration of up to 755 ppm. Toxicity tests in mice demonstrated good tolerance of the biomaterials, with no significant adverse effects. Moreover, these biomaterials have shown potent antibacterial activity against various bacterial strains, including Listeria monocytogenes, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa, suggesting their potential use in tissue engineering, drug delivery, and orthopedic and dental implants. By integrating the antibiotic into the biomaterial composites, we achieved controlled release and prolonged antibacterial efficacy. This research contributes to advancing biomaterials by exploring innovative synthetic routes and showcasing their promise in regenerative medicine and controlled drug delivery.
Detailed Phytochemical Composition, Cyto-/Hepatotoxicity, and Antioxidant/Anti-Inflammatory Profile of Moroccan Spices: A Study on Coriander, Caraway, and Mystical Cumin
Authors: Bouzaid Hiba , Espírito Santo Liliana , Ferreira Diana M. , Machado Susana , Costa Anabela S. G. , Dias Maria Inês , Calhelha Ricardo C. , Barros Lillian , Chater Oumaima , Rodi Youssef Kandri , Errachidi Faouzi , Chahdi Fouad Ouazzani , Oliveira Maria Beatriz P. P. , Alves Rita C.
Published: July 2024

Coriander, caraway, and mystical cumin are famous for their aromatic properties and widely used in Moroccan cuisine. The nutritional/phytochemical composition of their seeds (used for food flavoring and preservation) were compared. Their antioxidant, anti-inflammatory, cytotoxic and hepatotoxic effects were also explored. The fat content was similar among the samples (13%), with monounsaturated fatty acids being predominant. The coriander and mystical cumin seeds were extremely rich in C18:1n9c (81 and 85%, respectively) while, in the caraway, C18:1n12 (25%) was found together with C18:1n9c (32%). The caraway seeds also presented a higher proportion of C18:2n6c (34%) than the other seeds (13 and 8%, correspondingly). γ-Tocotrienol was the major vitamin E form in all the samples. The caraway seeds contained double the amount of protein (~18%) compared to the other seeds (~8%) but, qualitatively, the amino acid profiles among all seeds were similar. The seeds were also rich in dietary fiber (40–53%); however, differences were found in their fiber profiles. Caraway showed the highest antioxidant profile and anti-inflammatory activity and an LC-DAD-ESI/MSn analysis revealed great differences in the phenolic profiles of the samples. Cytotoxicity (NCI-H460, AGS, MCF-7, and CaCo2) and hepatotoxicity (RAW 264.7) were not observed. In sum, besides their flavoring/preservation properties, these seeds are also relevant source of bioactive compounds with health-promoting activities.
Method Development and Validation of an Aerosol Sampling Technique for the Analysis of Nicotine in Electronic Cigarette Aerosols
Authors: Dill Maarten , Deconinck Eric , Barhdadi Sophia
Published: July 2024

Because of the increasing popularity of e-cigarettes, monitoring the e-cigarette market has become important for national health authorities to guarantee safety and quality. In the EU, the Tobacco Products Directive requires emission studies for e-cigarette products. The absence of industry guidelines for studying these emissions and the lack of proper validation in the literature led us to develop and validate a method using the total error approach for the determination of nicotine in e-cigarette aerosols. A commercial vaping device was used to generate aerosols, which were then collected on Cambridge filter pads and measured for nicotine concentration by UHPLC-DAD after extraction. The method was successfully validated by generating accuracy profiles, which show that the β-expectation tolerance intervals remained below the acceptance limits of ±20%. Within-run repeatability and intermediate precision were considered acceptable since the highest RSD value obtained was below 5%. The method was applied to 15 commercial e-liquids. A complete validation of a method for the analysis of e-cigarette emissions is presented, including several parameters that impact the accuracy and reproducibility. Similar systematic approaches for method development and validation could be used for other e-cigarette emission analysis methods to ensure the reliability of the measurements.
Effect of Stepwise Exposure to High-Level Erythromycin on Anaerobic Digestion
Authors: Zhang Yanxiang , Li Chunxing , Zhu Xinyu , Angelidaki Irini
Published: July 2024

High-level erythromycin (ERY) fermentation wastewater will pose serious threats to lake environments. Anaerobic digestion (AD) has advantages in treating high-level antibiotic wastewater. However, the fate of antibiotic resistance genes (ARGs) and microbial communities in AD after stepwise exposure to high-level ERY remains unclear. In this study, an AD reactor was first exposed to 0, 5, 10, 50, 100 and 200 mg/L ERY and then re-exposed to 0, 50, 200 and 500 mg/L ERY to investigate the effect of ERY on AD. The results show that AD could adapt to the presence of high-level ERY (500 mg/L) and could maintain efficient CH4 production after domestication with low-level ERY (50 mg/L). The AD process could achieve higher removal of ERY (>94%), regardless of the initial ERY concentration. ErmB and mefA, conferring resistance through target alteration and efflux pumps, respectively, were dominant in the AD process. The first exposure to ERY stimulated an increase in the total ARG abundance, while the AD process seemed to discourage ARG maintenance following re-exposure to ERY. ERY inhibited the process of acetoclastic methanogenesis, but strengthened the process of hydrogenotrophic methanogenesis. This work provides useful information for treating high-level ERY fermentation wastewater by the AD process.
Novel Criteria to Provide a Locality/Normality Degree in Molecules and Their Relevance in Physical Chemistry
Authors: Suárez Eduardo , Guzmán-Juárez Oscar , Lemus Renato
Published: July 2024

In contrast to the traditional analysis of molecules using local mode behavior, where the degree of locality is given through a function in terms of Morse potential parameters, new criteria for locality/normality (LN) suitable for application to any molecular system are proposed. The approach is based on analysis of the connection between the algebraic normal and local mode representations. It is shown that both descriptions are equivalent as long as the polyad (total number of quanta) in the local representation is not conserved. The constraint of a local polyad conservation naturally provides a criterion for assigning an LN degree in quantitative form, without an analogue in configuration space. The correlation between the different parameters reveals the physical properties of molecules. A clear connection between the LN degree (based on the fundamentals) and spectroscopic properties is also presented, suggesting a promising approach for identifying mixtures of isotopologues.
New Ethylated Derivatives of Sulfur- and Nitrogen-Containing Artifacts from Tenodera sinensis Egg Pod and Their Anti-Renal Fibrosis
Authors: Chen Ye-Fei , Peng Shi-Gang , Yan Yong-Ming , Cheng Yong-Xian
Published: July 2024

Three pairs of enantiomers and one achiral molecule that are new ethylated derivatives of sulfur and nitrogen-containing compounds named mantidisamides E–H (1–4), along with twenty known ones (5–24), were derived from the ethanol extract of Tenodera sinensis Saussure. The structures of these new compounds and their absolute configurations were assigned on the basis of spectroscopic analyses and computational methods. The assessment of activities in NRK-52e cells induced by TGF-β1 demonstrated that the previously undescribed compounds 1 and 2 exhibited a significant capacity to inhibit the expression of proteins (fibronectin, collagen I, and α-SMA). Moreover, the biological activity of these compounds was found to increase with rising concentrations. Notably, compounds 1–4 should be artifacts; however, undescribed compounds 1 and 2, which possessed obvious biological activity, might be attractive for chemists and biologists due to the potential for more detailed exploration of their properties. It is worth mentioning that compounds 1 and 2 remain novel structures even in the absence of the ethoxy group.